*HEADER    ELECTRON TRANSPORT                      08-OCT-98   1F2G      
*TITLE     THE NMR SOLUTION STRUCTURE OF THE 3FE FERREDOXIN II FROM      
*TITLE    2 DESULFOVIBRIO GIGAS, 15 STRUCTURES                           
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: FERREDOXIN II;                                     
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 BIOLOGICAL_UNIT: HOMOTETRAMER                                
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS                     
*KEYWDS    ELECTRON TRANSPORT, FDII DESULFOVIBRIO GIGAS, FERREDOXIN II   
*EXPDTA    NMR, 15 STRUCTURES                                            
*AUTHOR    B.J.GOODFELLOW,A.L.MACEDO,P.RODRIGUES,V.WRAY,I.MOURA,         
*AUTHOR   2 J.J.G.MOURA                                                  
*REVDAT   1   12-OCT-04 1F2G    0   

  1 PRO  
         HG3    33 VAL  QG1     6.53                
  2 ILE  
         HN      2 ILE  QG2     4.61                
         HN      2 ILE  QD1     4.51                
         HN      3 GLU- HN      5.44                
         HN     21 VAL  QG1     6.53                
         HN     33 VAL  QG1     6.16                
         HN     36 PRO  HA      3.61                
         HN     36 PRO  QB      6.38                
         HN     37 ASP- HN      5.50                
         HN     37 ASP- HA      5.28                
         HN     38 SER  HN      5.50                
         HB     21 VAL  QG1     6.53                
         QG2     3 GLU- HN      4.76                
         QG2    21 VAL  QG1     6.01                
         QG2    22 PHE  HZ      4.36                
         QG2    22 PHE  HE2     4.45                
         QG2    37 ASP- HN      6.43                
         QG2    37 ASP- HA      5.13                
         QG2    38 SER  HN      4.64                
         QG2    38 SER  HB2     5.04                
         QG2    43 VAL  HB      6.53                
         QD1     3 GLU- HN      6.53                
         QD1    21 VAL  QG1     7.56                
         QD1    22 PHE  HZ      6.53                
         QD1    33 VAL  QG1     6.78                
         QD1    36 PRO  HA      4.30                
         QD1    36 PRO  QB      7.40                
         QD1    36 PRO  QG      7.40                
         QD1    37 ASP- HN      6.53                
         QD1    37 ASP- HB3     6.53                
         QD1    38 SER  HN      6.53                
  3 GLU- 
         HN      3 GLU- HB2     3.55                
         HN      3 GLU- HB3     4.11                
         HN      3 GLU- QG      6.38                
         HN      4 VAL  HN      5.50                
         HN     33 VAL  QG1     6.53                
         HN     56 VAL  QG1     6.53                
         HN     56 VAL  QG2     6.53                
         HN     57 ARG  HN      5.50                
         HN     57 ARG  HA      4.29                
         HN     58 SER  HN      5.50                
         HB2     4 VAL  HN      4.11                
         HB2    56 VAL  QG2     4.76                
         HB3     4 VAL  HN      3.76                
         QG      4 VAL  HN      6.38                
         QG      4 VAL  QG2     7.40                
         QG     56 VAL  HN      6.38                
         QG     58 SER  HN      6.38                
         HN     56 VAL  O       2.00
         N      56 VAL  O       3.00
         O      56 VAL  N       3.00
         O      56 VAL  HN      2.00            
  4 VAL  
         HN      4 VAL  HB      3.48                
         HN      5 ASN  HN      5.50                
         QG2     5 ASN  HB3     6.53                
         QG2    32 VAL  HA      5.54                
         QG2    55 ILE  HN      6.53                
  5 ASN  
         HN      5 ASN  HB3     4.04                
         HN      5 ASN  HD21    5.50                
         HN      5 ASN  HD22    5.50                
         HN      6 ASP- HN      5.22                
         HN     56 VAL  QG2     6.53                
         HA      5 ASN  HD21    5.50                
         HA      6 ASP- HN      3.52                
         HA      6 ASP- HB3     5.07                
         HA      5 ASN  HB3     2.76
         HA      5 ASN  HB2     2.79
         HB2     6 ASP- HN      3.02                
         HB2     7 ASP- HN      4.60                
         HB3     6 ASP- HN      3.02                
         HD21    6 ASP- HN      5.50                
         HD21    7 ASP- HN      5.50                
         HD21    7 ASP- HB2     5.50                
         HD21   56 VAL  QG1     6.53                
         HD22    6 ASP- HN      5.50                
         HD22    7 ASP- HN      5.50                
         HD22    7 ASP- HB2     5.50                
         HD22   56 VAL  QG1     6.53                
  6 ASP- 
         HN      6 ASP- HB2     3.02                
         HN      6 ASP- HB3     3.24                
         HN      7 ASP- HN      3.45                
         HA      6 ASP- HB2     2.71                
         HA      6 ASP- HB3     3.05                
         HA      8 CYSA HN      5.50                
         HB2     7 ASP- HN      4.48                
  7 ASP- 
         HN      7 ASP- HB2     3.33                
         HN      7 ASP- HB3     3.73                
         HN      8 CYSA HN      3.92                
         HB2     8 CYSA HN      5.50                
  8 CYSA                 
         SE     50 CYSF FE      2.32  4.00E+00             
         SE1    50 CYSF FE      2.32  2.00E+00
         SE     14 CYSF FE      2.32  2.00E+00
         FE     50 CYSF FE      2.78  2.00E+00
         FE     14 CYSF FE      2.72  2.00E+00
         FE     50 CYSF SE      3.82  2.00E+00
         SE1    14 CYSF FE      3.95  2.00E+00
         SE     50 CYSF SE      3.57  2.00E+00
         SE     14 CYSF SE      3.64  2.00E+00
         SE1    50 CYSF SE      3.59  2.00E+00
         SE1    14 CYSF SE      3.73  2.00E+00
         HB3     5 ASN  HA      6.00
         HB3     6 ASP- HA      5.00
         HB3     4 VAL  HB      6.00
  9 MET
         HN      8 CYSA FE      5.00
 10 ALA
         HN      8 CYSA FE      5.00
 11 CYSS
         HN      8 CYSA FE      5.00
 12 GLU-
         HN     14 CYSF FE      5.00
         O      16 GLU- HN      2.00
         O      16 GLU- N       3.00
 13 ALA
         HN     14 CYSF FE      5.00
 14 CYSF 
         SE      8 CYSA FE      2.32  2.00E+00
         FE     50 CYSF FE      2.79  2.00E+00
         SE     50 CYSF FE      3.96  2.00E+00
         SE     50 CYSF SE      3.67  2.00E+00
         HB2    22 PHE  HD1     3.00
         HB2    22 PHE  HZ      5.00
         HB2    22 PHE  HE1     5.00
         HB2    18 CYSS HB3     5.00
         HB2    22 PHE  HB3     5.00
         HB2    22 PHE  HB2     5.00
         HB2    46 ALA  QB      5.00
         HB2    46 ALA  HA      5.00
         HB3    46 ALA  QB      5.00
         HA     46 ALA  HA      5.00
         HA     18 CYSS HB3     7.00
         HA     18 CYSS HB2     7.00
         HA     17 ILE  HB      5.00
         HA     17 ILE  QG2     7.00
         HA     17 ILE  QD1     7.00
         HA     46 ALA  QB      5.00
         O      18 CYSS HN      2.00
         O      18 CYSS N       3.00
 15 VAL  
         HN     14 CYSF FE      5.00
         HA     19 PRO  HA      3.45                
         HA     22 PHE  HN      3.73                
         HA     22 PHE  HA      5.50                
         QG1    19 PRO  HA      5.72                
         QG1    23 GLU- HN      6.19                
         QG2    19 PRO  HA      6.53                
         QG2    22 PHE  HN      6.53                
         QG2    23 GLU- HN      6.12                
 16 GLU- 
         HN     16 GLU- HB2     4.26                
         HN     16 GLU- HB3     4.64                
         HN     16 GLU- HG2     6.00                
         HN     17 ILE  HN      3.95                
         HN     17 ILE  HB      6.00                
         HN     17 ILE  QG2     7.03                
         HN     17 ILE  QG1     6.88                
         HN     18 CYSS HN      5.22                
         HA     16 GLU- HB2     3.43                
         HA     16 GLU- HB3     3.40                
         HA     16 GLU- HG2     3.98                
         HA     17 ILE  HB      6.00                
         HA     17 ILE  QG2     7.03                
         HA     17 ILE  QG1     6.88                
         HA     18 CYSS HN      5.50                
         HB2    17 ILE  HN      4.26                
         HB2    17 ILE  QG2     7.53                
         HB3    17 ILE  HN      4.39                
         HB3    17 ILE  QG1     7.38                
         HG2    17 ILE  HN      6.00                
 17 ILE  
         HN     17 ILE  HB      3.74                
         HN     17 ILE  HG22    3.95                
         HN     17 ILE  HG23    4.48                
         HN     17 ILE  QD1     6.87                
         HN     18 CYSS HN      3.27                
         HN     18 CYSS HA      5.50                
         HN     18 CYSS HB2     5.47                
         HN     18 CYSS HB3     5.19                
         HA     17 ILE  QD1     4.49                
         HB     18 CYSS HA      5.71                
         HB     17 ILE  HG23    3.46                
         HB     18 CYSS HN      3.89                
         HB     18 CYSS HA      5.91                
         HB     18 CYSS HB2     6.00                
         HB     46 ALA  HA      6.00                
         HB     46 ALA  QB      7.03                
         HG23   17 ILE  QG1     3.90                
         HG23   18 CYSS HN      5.72                
         HG23   18 CYSS HB2     5.53                
         HG23   45 GLU- HN      6.00                
         HG23   45 GLU- HA      6.00                
         HG23   45 GLU- HG2     6.50                
         HG23   45 GLU- HG3     4.24                
         QG1    42 CYSS HA      5.75                
         QG1    18 CYSS HN      6.88                
         QG1    18 CYSS HA      6.88                
         QG1    45 GLU- HB3     7.38                
         QD1    18 CYSS HN      6.59                
         QD1    18 CYSS HA      6.25                
         QD1    18 CYSS HB2     5.29                
         QD1    42 CYSS HB3     5.51                
         QD1    45 GLU- HN      7.03                
         QD1    45 GLU- HA      7.03                
         QD1    45 GLU- HG2     7.53                
 18 CYSS 
         HN     18 CYSS HB2     3.48                
         HN     18 CYSS HB3     3.55                
         HN     19 PRO  HA      5.50                
         HN     19 PRO  HD2     4.76                
         HN     19 PRO  HD3     4.94                
         HN     22 PHE  HD1     5.50                
         HN     22 PHE  HE1     5.50                
         HN     46 ALA  QB      6.53                
         HA     18 CYSS HB2     2.77
         HA     19 PRO  HA      4.76
         HA     19 PRO  HG2     4.45                
         HA     19 PRO  HD2     3.27                
         HA     19 PRO  HD3     2.87                
         HA     20 ASP- HN      3.70                
         HA     21 VAL  HN      5.50                
         HA     21 VAL  QG2     6.53                
         HA     22 PHE  HD1     5.50                
         HA     42 CYSS HB3     5.38                
         HA     45 GLU- HG3     6.00                
         HA     46 ALA  QB      6.53                
         HB2    21 VAL  HB      5.50                
         HB2    22 PHE  HD1     4.14                
         HB2    22 PHE  HE1     5.50                
         HB2    42 CYSS HB3     3.95                
         HB2    43 VAL  HN      5.50                
         HB2    46 ALA  QB      6.25                
         HB3    21 VAL  HN      4.85                
         HB3    22 PHE  HD1     3.73                
         SG     42 CYSS SG      1.99       
         O      22 PHE  N       3.00
         O      22 PHE  HN      2.00
         O      21 VAL  N       3.00
         O      21 VAL  HN      2.00    
 19 PRO  
         HA     21 VAL  HN      4.20                
         HA     22 PHE  HN      3.70                
         HA     22 PHE  HB2     4.57                
         HA     34 ILE  QD1     6.53                
         HG2    20 ASP- HN      4.01                
         HD2    20 ASP- HN      4.32                
 20 ASP- 
         HN     20 ASP- HB3     3.27                
         HN     21 VAL  HN      3.27                
         HN     21 VAL  HB      5.34                
         HN     21 VAL  QG1     6.53                
         HN     21 VAL  QG2     5.75                
         HN     22 PHE  HN      4.04                
         HA     21 VAL  QG2     6.53
         HA     34 ILE  QD1     5.97                
         HB3    21 VAL  HN      5.16                
         HB3    21 VAL  QG2     5.66                
         HB3    34 ILE  QD1     6.53                
         HB3    40 LEU  HG      6.00                
         HB3    40 LEU  QD1     7.03                
         HB3    40 LEU  QD2     5.69                
 21 VAL  
         HN     21 VAL  HB      3.30                
         HN     22 PHE  HN      2.77                
         HN     22 PHE  HA      5.28                
         HN     22 PHE  HD1     5.50                
         HN     22 PHE  HE1     5.50                
         HA     22 PHE  HN      3.39                
         HA     21 VAL  QG2     3.61
         HA     22 PHE  HA      5.25                
         HA     22 PHE  HD1     5.50                
         HA     33 VAL  HA      5.50                
         HA     33 VAL  QG1     6.53                
         HA     34 ILE  HN      4.07                
         HA     34 ILE  HB      3.92                
         HA     34 ILE  QD1     6.09                
         HA     35 ASN  HN      3.48                
         HA     35 ASN  HA      5.00                
         HA     35 ASN  HD21    6.00                
         HA     35 ASN  HD22    6.00                
         HA     43 VAL  QQG     7.62                
         HB     22 PHE  HN      3.48                
         HB     22 PHE  HB2     5.47                
         HB     22 PHE  HD1     4.79                
         HB     22 PHE  HE1     5.10                
         HB     22 PHE  HZ      5.50                
         HB     33 VAL  QG1     6.53                
         HB     34 ILE  QD1     6.53                
         HB     43 VAL  QQG     7.62                
         QG1    22 PHE  HN      6.03                
         QG1    22 PHE  HB2     6.53                
         QG1    22 PHE  HD1     6.50                
         QG1    22 PHE  HE1     5.88                
         QG1    22 PHE  HZ      6.25                
         QG1    33 VAL  HA      5.63                
         QG1    33 VAL  QG1     6.94                
         QG1    34 ILE  HN      6.31                
         QG1    34 ILE  QD1     7.56                
         QG1    35 ASN  HN      5.13                
         QG1    35 ASN  HA      6.53                
         QG1    35 ASN  HB2     6.10                
         QG1    35 ASN  HB3     6.81                
         QG1    35 ASN  HD21    7.03                
         QG1    35 ASN  HD22    7.03                
         QG1    38 SER  HN      5.97                
         QG1    38 SER  HA      6.34                
         QG1    38 SER  HB2     5.35                
         QG1    38 SER  HB3     6.16                
         QG1    40 LEU  HN      6.53                
         QG1    40 LEU  HG      7.03                
         QG1    43 VAL  HA      6.53                
         QG1    43 VAL  HB      6.53                
         QG1    43 VAL  QQG     8.31                
         QG2    22 PHE  HN      5.66                
         QG2    22 PHE  HD1     6.53                
         QG2    22 PHE  HZ      6.53                
         QG2    35 ASN  HN      6.53                
         QG2    35 ASN  HA      6.53                
         QG2    35 ASN  HB2     6.10                
         QG2    35 ASN  HB3     6.78                
         QG2    35 ASN  HD21    7.03                
         QG2    35 ASN  HD22    7.03                
         QG2    38 SER  HN      6.28                
         QG2    38 SER  HA      5.29                
         QG2    38 SER  HB2     4.82                
         QG2    39 ASP- HN      6.53                
         QG2    40 LEU  QB      7.90                
         O      34 ILE  N       3.00
         O      34 ILE  HN      2.00                
 22 PHE  
         HN     22 PHE  HB2     3.64                
         HN     22 PHE  HD1     4.60                
         HN     22 PHE  HE1     5.50                
         HN     23 GLU- HN      4.60                
         HN     34 ILE  HN      5.50                
         HN     34 ILE  QD1     6.53                
         HA     22 PHE  HD2     5.03                
         HA     23 GLU- HN      2.80                
         HA     23 GLU- HB2     5.16                
         HA     23 GLU- HB3     4.17                
         HA     33 VAL  HN      5.50                
         HA     33 VAL  HA      3.52                
         HA     33 VAL  QG1     6.53                
         HA     34 ILE  HN      3.64                
         HA     34 ILE  HB      5.50                
         HA     34 ILE  QG2     6.53                
         HA     34 ILE  QD1     6.53                
         HA     35 ASN  HN      4.94                
         HB3    33 VAL  HA      5.50                
         HB3    33 VAL  QG1     6.53                
         HD1    43 VAL  QQG     7.62                
         HD1    46 ALA  QB      6.53                
         HE1    43 VAL  HN      5.50                
         HE1    43 VAL  HA      3.61                
         HE1    43 VAL  HB      5.50                
         HE1    43 VAL  QQG     7.13                
         HE1    46 ALA  HN      5.50                
         HE1    46 ALA  QB      5.66                
         HZ     33 VAL  QG1     6.53                
         HZ     43 VAL  HA      5.50                
         HZ     43 VAL  QQG     7.62                
         HZ     46 ALA  QB      6.53                
         HE2    33 VAL  QG1     6.53                
         HE2    34 ILE  HN      5.50                
         HD2    23 GLU- HN      5.50                
         HD2    33 VAL  HN      5.50                
         HD2    33 VAL  HA      5.50                
         HD2    33 VAL  QG1     6.53                
         HD2    33 VAL  QG2     5.57                
         HD2    34 ILE  HN      5.50                
 23 GLU- 
         HN     23 GLU- HB2     3.45                
         HN     23 GLU- HB3     2.77                
         HN     32 VAL  HN      3.58                
         HN     32 VAL  QQG     7.62                
         HN     33 VAL  HA      4.14                
         HN     34 ILE  HN      4.54                
         HN     34 ILE  QG2     6.53                
         HN     34 ILE  QG1     6.38                
         HN     34 ILE  QD1     6.43                
         HA     23 GLU- HB3     2.80                
         HA     24 MET  QG      5.63                
         HB2    34 ILE  QG2     6.22                
         HB2    34 ILE  QD1     5.41                
         HB3    34 ILE  HN      4.97                
         HB3    34 ILE  QG2     6.16                
         HB3    34 ILE  QD1     4.33                
         N      32 VAL  O       3.00
         HN     32 VAL  O       2.00               
         O      32 VAL  N       3.00
         O      32 VAL  HN      2.00
 24 MET  
         HN     24 MET  HB2     2.96                
         HN     24 MET  QG      5.76                
         HA     25 ASN  HN      2.96                
         HA     24 MET  HB2     2.87
         HA     24 MET  HB3     2.96
         HA     25 ASN  HA      4.88                
         HA     25 ASN  HB2     5.28                
         HA     25 ASN  HB3     4.79                
         HA     28 GLY  HN      5.50                
         HA     30 LYS  HN      5.25                
         HA     31 ALA  HA      3.73                
         HA     32 VAL  HN      4.01                
         HA     32 VAL  HB      5.50                
         HA     32 VAL  QQG     7.62                
         HB2    25 ASN  HN      3.58                
         HB2    28 GLY  HN      3.89                
         HB2    32 VAL  HN      5.50                
         HB3    25 ASN  HN      3.48                
         HB3    31 ALA  HA      5.50                
         QG     25 ASN  HN      6.38                
         QG     28 GLY  HA2     6.38                
 25 ASN  
         HN     25 ASN  HB2     3.45                
         HN     25 ASN  HB3     3.36                
         HN     25 ASN  HD21    5.50                
         HN     26 GLU- HN      4.29                
         HN     28 GLY  HN      4.82                
         HN     28 GLY  HA2     5.50                
         HN     30 LYS  HN      3.64                
         HN     31 ALA  HA      4.20                
         HN     32 VAL  HN      4.66                
         HN     32 VAL  QQG     6.91                
         HA     25 ASN  HB2     2.83                
         HA     25 ASN  HB3     2.93                
         HA     25 ASN  HD21    5.47                
         HA     26 GLU- HN      2.96                
         HA     26 GLU- QG      6.38                
         HA     28 GLY  HN      5.10                
         HA     29 ASP- HN      5.50                
         HA     30 LYS  HN      5.50                
         HA     32 VAL  QQG     6.20                
         HB2    26 GLU- HN      2.96                
         HB2    27 GLU- HN      3.89                
         HB2    32 VAL  QQG     6.20                
         HB3    26 GLU- HN      3.21                
         HB3    27 GLU- HN      4.69                
         HB3    28 GLY  HN      5.31                
         HB3    32 VAL  HN      5.50                
         HB3    32 VAL  QQG     5.92                
         HD21   26 GLU- HN      5.50                
         HD21   26 GLU- HB3     5.25                
         HD21   27 GLU- HN      5.50                
         HD21   28 GLY  HN      5.50                
         HD21   29 ASP- HN      5.47                
         HD21   29 ASP- HB2     5.50                
         HD21   32 VAL  QQG     7.62                
         HD22   26 GLU- HN      5.50                
         HD22   26 GLU- HB3     4.14                
         HD22   27 GLU- HN      4.79                
         HD22   28 GLY  HN      5.50                
         HD22   32 VAL  QQG     7.62                
 26 GLU- 
         HN     26 GLU- HB2     3.08                
         HN     26 GLU- HB3     2.99                
         HN     26 GLU- QG      6.19                
         HN     27 GLU- HN      3.27                
         HN     28 GLY  HN      4.35                
         HN     32 VAL  QQG     7.62                
         HA     26 GLU- HB3     2.96                
         HA     28 GLY  HN      4.38                
         HB2    28 GLY  HN      5.50                
 27 GLU- 
         HN     27 GLU- QB      3.56                
         HN     27 GLU- HG2     4.66                
         HN     27 GLU- HG3     3.02                
         HN     28 GLY  HN      3.05                
         HN     29 ASP- HN      4.35                
         HA     27 GLU- HG2     3.17                
         QB     28 GLY  HN      4.49                
         QB     29 ASP- HN      4.42                
         HG2    28 GLY  HN      5.50                
         HG2    29 ASP- HN      5.50                
 28 GLY  
         HN     28 GLY  HA1     2.87                
         HN     28 GLY  HA2     2.80                
         HN     29 ASP- HN      2.99                
         HN     29 ASP- HA      5.38                
         HN     30 LYS  HN      3.64                
         HA1    29 ASP- HN      3.52                
         HA1    30 LYS  HN      4.45                
         HA2    29 ASP- HN      3.52                
         HA2    30 LYS  HN      4.69                
 29 ASP- 
         HN     29 ASP- HB2     3.27                
         HN     29 ASP- HB3     3.58                
         HN     30 LYS  HN      2.71                
         HA     29 ASP- HB2     2.74                
         HA     29 ASP- HB3     2.99                
         HB2    30 LYS  HN      4.20                
         HB3    30 LYS  HN      4.60                
 31 ALA  
         HN      8 CYSA FE      5.00
         HA     32 VAL  HN      3.33                
         HA     32 VAL  HA      5.50                
         HA     32 VAL  HB      4.54                
         HA     32 VAL  QQG     7.62                
 32 VAL  
         HN     32 VAL  HB      3.30                
         HN     33 VAL  HN      4.69                
         HA     32 VAL  HB      3.02                
         HA     33 VAL  HN      2.62                
         QQG    33 VAL  HN      6.60                
 33 VAL  
         HN     33 VAL  QG2     4.51                
         HN     34 ILE  HN      4.60                
         HA     33 VAL  QG1     3.68                
         HA     34 ILE  HN      2.77                
         HA     34 ILE  QG2     5.88                
         HA     34 ILE  QG1     6.38                
         HA     35 ASN  HN      3.92               
         QG1    34 ILE  HN      5.41                
         QG1    34 ILE  QG2     7.56                
         QG1    35 ASN  HN      4.61                
         QG1    35 ASN  HA      6.03                
         QG1    35 ASN  HB3     7.03                
         QG1    36 PRO  QB      6.47                
         QG1    36 PRO  HD2     5.38                
         QG1    36 PRO  HD3     5.44                
         QG1    37 ASP- HN      6.53                
         QG1    38 SER  HN      6.53                
         QG2    34 ILE  HN      4.79                
         QG2    35 ASN  HN      6.47                
 34 ILE  
         HN     34 ILE  HB      3.17                
         HN     34 ILE  QG2     4.79                
         HN     34 ILE  QG1     4.89                
         HN     34 ILE  QD1     5.75                
         HN     35 ASN  HN      3.05                
         HN     35 ASN  HA      5.07                
         HN     35 ASN  HB2     5.57                
         HN     35 ASN  HB3     5.66                
         HA     35 ASN  HN      3.42                
         HB     35 ASN  HN      3.24                
         HB     35 ASN  HA      5.03                
         HB     35 ASN  HB2     6.00                
         HB     35 ASN  HB3     6.00                
         HB     36 PRO  HD3     5.50                
         QG2    35 ASN  HN      6.03                
         QG2    35 ASN  HB2     7.03                
         QG1    35 ASN  HN      6.19                
         QG1    35 ASN  HA      6.38                
         QG1    35 ASN  HD21    6.88                
         QD1    35 ASN  HN      6.53                
         QD1    35 ASN  HB2     7.03                
         QD1    35 ASN  HB3     7.03                
         QD1    35 ASN  HD21    7.03                
 35 ASN  
         HN     35 ASN  HB2     3.95                
         HN     35 ASN  HB3     4.02                
         HN     35 ASN  HD21    6.00                
         HN     35 ASN  HD22    6.00                
         HN     36 PRO  HD3     5.31                
         HN     37 ASP- HN      5.38                
         HN     38 SER  HN      5.50                
         HA     35 ASN  HB2     3.32
         HA     35 ASN  HB3     3.29
         HA     35 ASN  HD21    5.50                
         HA     36 PRO  HA      4.66                
         HA     36 PRO  HD2     2.93                
         HA     36 PRO  HD3     3.02                
         HA     37 ASP- HN      3.98                
         HA     37 ASP- HB3     5.10                
         HA     38 SER  HN      5.47                
         HA     38 SER  HB2     5.50                
         HB2    38 SER  HB2     6.00                
         HB3    35 ASN  HD22    4.33                
         HB3    38 SER  HN      5.60                
         HB3    38 SER  HA      6.00                
         HB3    38 SER  HB2     6.00                
         HB3    38 SER  HB3     5.19                
         HD21   38 SER  HN      6.00                
         HD21   38 SER  HB2     6.00                
         HD21   38 SER  HB3     6.50                
         HD21   39 ASP- HN      6.00                
         HD22   37 ASP- HN      6.00                
         HD22   38 SER  HN      6.00                
         HD22   38 SER  HB2     6.00                
         HD22   38 SER  HB3     5.55                
         HD22   39 ASP- HN      6.00                
         O      37 ASP- HN      2.00
         O      37 ASP- N       3.00
 36 PRO  
         HA     37 ASP- HB3     5.50                
         HA     38 SER  HN      4.23                
         QB     37 ASP- HA      6.38                
         HD2    37 ASP- HN      4.11                
         HD2    37 ASP- HA      5.50                
         HD2    37 ASP- HB3     5.50                
         HD3    37 ASP- HN      5.16                
 37 ASP- 
         HN     37 ASP- HB2     3.50                
         HN     37 ASP- HB3     3.22               
         HN     38 SER  HN      3.05                
         HN     38 SER  HB2     4.63                
         HA     37 ASP- HB2     2.96                
         HB3    38 SER  HN      4.14                
 38 SER  
         HN     38 SER  HB2     3.17                
         HN     38 SER  HB3     2.90                
         HN     39 ASP- HN      4.32                
         HN     40 LEU  HN      5.38                
         HA     40 LEU  HN      4.57                
         HA     40 LEU  QB      6.88                
         HA     40 LEU  HG      4.85                
         HA     40 LEU  QD1     7.03                
         HA     40 LEU  QD2     6.22                
         HA     43 VAL  QQG     7.62                
         HB2    39 ASP- HN      3.98                
         HB2    40 LEU  HG      6.00                
         HB2    43 VAL  QQG     6.66                
         HB3    39 ASP- HN      2.83                
         HB3    40 LEU  HN      3.67                
 39 ASP- 
         HN     39 ASP- HB2     4.11                
         HN     39 ASP- HB3     4.01                
         HN     40 LEU  HN      3.17                
         HN     40 LEU  HA      5.22                
         HN     40 LEU  QB      6.88                
         HN     40 LEU  HG      5.10                
         HN     40 LEU  QD1     7.03                
         HN     40 LEU  QD2     7.03                
         HN     43 VAL  QQG     7.62                
 40 LEU  
         HN     40 LEU  HG      3.43                
         HN     40 LEU  QD1     5.57                
         HN     40 LEU  QD2     5.76                
         HN     41 ASP- HN      4.41                
         HA     40 LEU  HG      4.05                
         HA     40 LEU  QD1     4.64                
         HA     41 ASP- HN      3.11                
         HA     41 ASP- HB2     4.38                
         HA     41 ASP- HB3     5.16                
         HA     42 CYSS HN      4.41                
         HA     43 VAL  QQG     7.62                
         QB     41 ASP- HN      5.76                
         QB     41 ASP- HB2     6.88                
         QB     42 CYSS HN      5.57                
         HG     41 ASP- HN      5.38                
         HG     42 CYSS HN      5.16                
         QD1    41 ASP- HN      5.91                
         QD1    41 ASP- HA      7.03                
         QD1    41 ASP- HB3     7.03                
 41 ASP- 
         HN     41 ASP- HB2     3.52                
         HN     41 ASP- HB3     3.76                
         HN     42 CYSS HN      4.38                
         HN     43 VAL  QQG     7.62                
         HA     41 ASP- HB3     3.13
         HA     43 VAL  QQG     7.62                
         HA     44 GLU- HN      4.07                
         HA     44 GLU- QB      5.23                
         HA     45 GLU- HN      5.50                
         HB3    42 CYSS HN      4.32                
 42 CYSS 
         HN     42 CYSS HB2     4.11                
         HN     42 CYSS HB3     3.52                
         HN     43 VAL  HN      3.55                
         HN     43 VAL  QQG     7.62                
         HA     42 CYSS HB3     2.83
         HA     45 GLU- HN      4.66                
         HA     45 GLU- HG3     5.88                
         HB3    45 GLU- HN      5.50                
 43 VAL  
         HN     43 VAL  HB      2.93                
         HN     44 GLU- HN      3.24                
         HN     44 GLU- HA      5.22                
         HN     44 GLU- QB      5.85                
         HN     45 GLU- HN      4.14                
         HA     45 GLU- HN      4.57                
         HA     46 ALA  HN      3.89                
         HB     44 GLU- HN      3.08                
         QQG    44 GLU- HN      7.62                
         QQG    44 GLU- QB      8.50                
         QQG    44 GLU- QG      8.50                
         QQG    45 GLU- HN      7.62                
         QQG    47 ILE  HB      7.62                
 44 GLU- 
         HN     44 GLU- QB      3.93                
         HN     44 GLU- QG      5.57                
         HN     45 GLU- HN      3.05                
         HN     47 ILE  HN      5.50                
         HA     45 GLU- HG2     6.00                
         HA     46 ALA  QB      6.53                
         HA     47 ILE  HN      3.61                
         HA     47 ILE  HB      2.93                
         HA     47 ILE  QG1     5.76                
         HA     48 ASP- HN      4.14                
         HA     48 ASP- HB2     5.25                
         QB     48 ASP- HN      6.38                
         QG     47 ILE  QD1     7.40                
         QG     48 ASP- HN      6.38                
 45 GLU- 
         HN     45 GLU- HB2     3.46                
         HN     45 GLU- HB3     3.40                
         HN     45 GLU- HG2     6.00                
         HN     45 GLU- HG3     4.42                
         HN     46 ALA  HN      3.08                
         HN     46 ALA  HA      4.76                
         HN     46 ALA  QB      6.53                
         HN     47 ILE  HN      5.13                
         HN     47 ILE  QD1     6.53                
         HN     48 ASP- HN      5.50                
         HN     48 ASP- HB2     4.94                
         HA     45 GLU- HB3     3.52                
         HA     46 ALA  QB      6.53                
         HA     48 ASP- HN      4.01                
         HA     48 ASP- HB2     3.08                
         HA     49 SER  HN      5.50                
         HB2    47 ILE  HN      5.63                
 46 ALA  
         QB     47 ILE  HB      6.53                
 47 ILE  
         HN     47 ILE  HB      3.08                
         HN     47 ILE  QG1     5.42                
         HN     47 ILE  QD1     4.23                
         HN     48 ASP- HN      3.58                
         HN     48 ASP- HA      5.25                
         HN     48 ASP- HB2     4.20                
         HN     49 SER  HN      5.47                
         HA     47 ILE  QD1     4.61                
         HB     48 ASP- HN      3.17                
         HB     48 ASP- HB2     5.31                
         QG1    48 ASP- HN      6.19                
         QG1    48 ASP- HA      6.31                
         QD1    48 ASP- HN      6.03                
         QD1    55 ILE  HN      6.53                
         QD1    57 ARG  HA      6.12                
         O      50 CYSF N       3.00
         O      50 CYSF HN      2.00                
 48 ASP- 
         HN     48 ASP- HB2     2.90                
         HA     48 ASP- HB2     2.68                
         HB2    49 SER  HN      3.61                
 49 SER
         HA     49 SER  HB3     2.87                
 50 CYSF
         SE     14 CYSF FE      2.30  2.00E+00       
         HB3    47 ILE  HB      7.00
 51 PRO
         N      50 CYSF FE      5.00
 52 ALA
         HN     50 CYSF FE      5.00
 53 GLU-
         HN     50 CYSF FE      5.00
 54 ALA
         HN     50 CYSF FE      5.00
 55 ILE  
         HA     56 VAL  HN      3.36                
         HA     56 VAL  QG2     6.53                
 56 VAL  
         HN     56 VAL  HB      3.61                
         HN     57 ARG  HN      4.48                
         HA     56 VAL  HB      2.90
         HA     57 ARG  HN      2.77                
         HB     57 ARG  HN      2.90                
         HB     58 SER  HB2     4.82                
         QG1    57 ARG  HN      6.53                
         QG1    57 ARG  HA      6.53                
         QG1    58 SER  HN      6.53                
         QG1    58 SER  HA      6.53                
         QG2    57 ARG  HN      6.53                
 57 ARG  
         HN     57 ARG  HG2     5.31                
         HN     57 ARG  HG3     4.07                
         HN     57 ARG  HD2     5.50                
         HN     57 ARG  HD3     5.50                
         HN     58 SER  HA      5.47                
         HA     57 ARG  HG2     4.23                
         HA     57 ARG  HG3     3.86                
         HA     58 SER  HN      2.99                
         QB     58 SER  HA      6.38                
         HG2    58 SER  HN      5.28                
         HG3    58 SER  HN      5.41                
 58 SER  
         HN     58 SER  HB2     4.14                
         HN     58 SER  HB3     4.01                

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    HA   PRO   1           HA       PRO   1  -5.531   6.837   6.837
    2   1HB   PRO   1          1HB       PRO   1  -2.958   6.068   6.068
    3   2HB   PRO   1          2HB       PRO   1  -3.544   7.695   7.695
    4   1HG   PRO   1          1HG       PRO   1  -2.968   5.569   5.569
    5   2HG   PRO   1          2HG       PRO   1  -3.138   7.293   7.293
    6   1HD   PRO   1          1HD       PRO   1  -5.074   5.265   5.265
    7   2HD   PRO   1          2HD       PRO   1  -5.287   6.998   6.998
    8    H    ILE   2           H        ILE   2  -4.597   5.634   5.634
    9    HA   ILE   2           HA       ILE   2  -5.858   3.217   3.217
   10    HB   ILE   2           HB       ILE   2  -4.530   2.916   2.916
   11   1HG1  ILE   2          1HG1      ILE   2  -2.324   3.378   3.378
   12   2HG1  ILE   2          2HG1      ILE   2  -2.531   4.135   4.135
   13   1HG2  ILE   2          1HG2      ILE   2  -5.704   5.516   5.516
   14   2HG2  ILE   2          2HG2      ILE   2  -4.552   5.578   5.578
   15   3HG2  ILE   2          3HG2      ILE   2  -5.950   4.478   4.478
   16   1HD1  ILE   2          1HD1      ILE   2  -3.330   6.213   6.213
   17   2HD1  ILE   2          2HD1      ILE   2  -2.571   5.390   5.390
   18   3HD1  ILE   2          3HD1      ILE   2  -1.590   5.840   5.840
   19    H    GLU   3           H        GLU   3  -5.277   1.031   1.031
   20    HA   GLU   3           HA       GLU   3  -2.748   0.588   0.588
   21   1HB   GLU   3          1HB       GLU   3  -5.511  -0.186  -0.186
   22   2HB   GLU   3          2HB       GLU   3  -4.130  -1.172  -1.172
   23   1HG   GLU   3          1HG       GLU   3  -3.423   0.345   0.345
   24   2HG   GLU   3          2HG       GLU   3  -3.509   1.660   1.660
   25    H    VAL   4           H        VAL   4  -1.767  -1.449  -1.449
   26    HA   VAL   4           HA       VAL   4  -3.053  -2.864  -2.864
   27    HB   VAL   4           HB       VAL   4  -1.029  -3.118  -3.118
   28   1HG1  VAL   4          3HG1      VAL   4  -1.283  -0.649  -0.649
   29   2HG1  VAL   4          1HG1      VAL   4   0.104  -1.088  -1.088
   30   3HG1  VAL   4          2HG1      VAL   4   0.240  -1.191  -1.191
   31   1HG2  VAL   4          1HG2      VAL   4  -0.054  -3.615  -3.615
   32   2HG2  VAL   4          2HG2      VAL   4  -0.042  -4.699  -4.699
   33   3HG2  VAL   4          3HG2      VAL   4   1.104  -3.340  -3.340
   34    H    ASN   5           H        ASN   5  -3.407  -3.047  -3.047
   35    HA   ASN   5           HA       ASN   5  -3.827  -4.610  -4.610
   36   1HB   ASN   5          1HB       ASN   5  -3.764  -6.314  -6.314
   37   2HB   ASN   5          2HB       ASN   5  -4.000  -7.075  -7.075
   38   1HD2  ASN   5          1HD2      ASN   5  -5.962  -7.437  -7.437
   39   2HD2  ASN   5          2HD2      ASN   5  -7.355  -6.463  -6.463
   40    H    ASP   6           H        ASP   6  -2.881  -7.247  -7.247
   41    HA   ASP   6           HA       ASP   6  -0.006  -6.779  -6.779
   42   1HB   ASP   6          1HB       ASP   6  -1.171  -6.928  -6.928
   43   2HB   ASP   6          2HB       ASP   6  -1.719  -8.541  -8.541
   44    H    ASP   7           H        ASP   7  -2.703  -8.924  -8.924
   45    HA   ASP   7           HA       ASP   7  -1.357 -11.301 -11.301
   46   1HB   ASP   7          1HB       ASP   7  -3.682 -10.146 -10.146
   47   2HB   ASP   7          2HB       ASP   7  -3.174 -11.820 -11.820
   48    H    CYS   8           H        CYS   8  -1.242  -8.325  -8.325
   49    HA   CYS   8           HA       CYS   8  -0.662  -9.226  -9.226
   50   1HB   CYS   8          1HB       CYS   8  -0.879  -6.981  -6.981
   51   2HB   CYS   8          2HB       CYS   8  -0.269  -6.734  -6.734
   52    H    MET   9           H        MET   9   1.521  -9.333  -9.333
   53    HA   MET   9           HA       MET   9   3.453 -10.466 -10.466
   54   1HB   MET   9          1HB       MET   9   2.435 -11.203 -11.203
   55   2HB   MET   9          2HB       MET   9   4.187 -11.154 -11.154
   56   1HG   MET   9          1HG       MET   9   4.224 -12.691 -12.691
   57   2HG   MET   9          2HG       MET   9   2.472 -12.703 -12.703
   58   1HE   MET   9          2HE       MET   9   2.259 -14.886 -14.886
   59   2HE   MET   9          3HE       MET   9   1.245 -15.030 -15.030
   60   3HE   MET   9          1HE       MET   9   2.640 -16.113 -16.113
   61    H    ALA  10           H        ALA  10   3.915  -9.355  -9.355
   62    HA   ALA  10           HA       ALA  10   4.940  -6.882  -6.882
   63   1HB   ALA  10          2HB       ALA  10   6.756  -8.965  -8.965
   64   2HB   ALA  10          3HB       ALA  10   7.517  -7.849  -7.849
   65   3HB   ALA  10          1HB       ALA  10   6.729  -7.211  -7.211
   66    H    CYS  11           H        CYS  11   3.530  -7.757  -7.757
   67    HA   CYS  11           HA       CYS  11   5.013  -9.038  -9.038
   68   1HB   CYS  11          1HB       CYS  11   2.438  -8.865  -8.865
   69   2HB   CYS  11          2HB       CYS  11   2.572  -7.367  -7.367
   70    H    GLU  12           H        GLU  12   4.488  -5.711  -5.711
   71    HA   GLU  12           HA       GLU  12   5.462  -3.835  -3.835
   72   1HB   GLU  12          1HB       GLU  12   7.505  -5.442  -5.442
   73   2HB   GLU  12          2HB       GLU  12   7.228  -5.150  -5.150
   74   1HG   GLU  12          1HG       GLU  12   7.403  -2.680  -2.680
   75   2HG   GLU  12          2HG       GLU  12   7.697  -2.982  -2.982
   76    H    ALA  13           H        ALA  13   3.299  -5.341  -5.341
   77    HA   ALA  13           HA       ALA  13   3.543  -4.261  -4.261
   78   1HB   ALA  13          2HB       ALA  13   1.542  -5.750  -5.750
   79   2HB   ALA  13          3HB       ALA  13   0.889  -4.775  -4.775
   80   3HB   ALA  13          1HB       ALA  13   2.105  -6.034  -6.034
   81    H    CYS  14           H        CYS  14   1.689  -3.307  -3.307
   82    HA   CYS  14           HA       CYS  14   0.480  -1.087  -1.087
   83   1HB   CYS  14          1HB       CYS  14   0.071  -0.354  -0.354
   84   2HB   CYS  14          2HB       CYS  14  -0.347  -2.036  -2.036
   85    H    VAL  15           H        VAL  15   3.709  -1.707  -1.707
   86    HA   VAL  15           HA       VAL  15   4.405   1.053   1.053
   87    HB   VAL  15           HB       VAL  15   6.010  -1.508  -1.508
   88   1HG1  VAL  15          3HG1      VAL  15   6.984   1.085   1.085
   89   2HG1  VAL  15          1HG1      VAL  15   7.263   0.771   0.771
   90   3HG1  VAL  15          2HG1      VAL  15   7.916  -0.344  -0.344
   91   1HG2  VAL  15          3HG2      VAL  15   4.355  -0.127  -0.127
   92   2HG2  VAL  15          1HG2      VAL  15   5.156  -1.713  -1.713
   93   3HG2  VAL  15          2HG2      VAL  15   6.041  -0.236  -0.236
   94    H    GLU  16           H        GLU  16   4.501  -1.480  -1.480
   95    HA   GLU  16           HA       GLU  16   6.301   0.017   0.017
   96   1HB   GLU  16          1HB       GLU  16   5.411  -2.665  -2.665
   97   2HB   GLU  16          2HB       GLU  16   4.802  -2.068  -2.068
   98   1HG   GLU  16          1HG       GLU  16   6.946  -2.789  -2.789
   99   2HG   GLU  16          2HG       GLU  16   7.233  -1.086  -1.086
  100    H    ILE  17           H        ILE  17   3.007   0.251   0.251
  101    HA   ILE  17           HA       ILE  17   2.325   1.344   1.344
  102    HB   ILE  17           HB       ILE  17   0.983  -0.458  -0.458
  103   1HG1  ILE  17          1HG1      ILE  17   0.532   0.108   0.108
  104   2HG1  ILE  17          2HG1      ILE  17  -0.977   0.089   0.089
  105   1HG2  ILE  17          2HG2      ILE  17  -0.093   2.251   2.251
  106   2HG2  ILE  17          3HG2      ILE  17  -1.000   0.727   0.727
  107   3HG2  ILE  17          1HG2      ILE  17   0.517   0.953   0.953
  108   1HD1  ILE  17          2HD1      ILE  17  -0.446   2.680   2.680
  109   2HD1  ILE  17          3HD1      ILE  17   0.560   2.405   2.405
  110   3HD1  ILE  17          1HD1      ILE  17  -1.186   2.066   2.066
  111    H    CYS  18           H        CYS  18   2.427   2.051   2.051
  112    HA   CYS  18           HA       CYS  18   2.713   4.844   4.844
  113   1HB   CYS  18          1HB       CYS  18   0.197   3.980   3.980
  114   2HB   CYS  18          2HB       CYS  18   0.793   4.415   4.415
  115    HA   PRO  19           HA       PRO  19   5.396   3.407   3.407
  116   1HB   PRO  19          1HB       PRO  19   7.696   4.580   4.580
  117   2HB   PRO  19          2HB       PRO  19   7.237   2.938   2.938
  118   1HG   PRO  19          1HG       PRO  19   7.132   5.361   5.361
  119   2HG   PRO  19          2HG       PRO  19   7.090   3.679   3.679
  120   1HD   PRO  19          1HD       PRO  19   4.864   5.484   5.484
  121   2HD   PRO  19          2HD       PRO  19   4.806   3.774   3.774
  122    H    ASP  20           H        ASP  20   3.927   6.147   6.147
  123    HA   ASP  20           HA       ASP  20   5.422   7.722   7.722
  124   1HB   ASP  20          1HB       ASP  20   4.105   8.328   8.328
  125   2HB   ASP  20          2HB       ASP  20   3.004   8.936   8.936
  126    H    VAL  21           H        VAL  21   2.760   5.578   5.578
  127    HA   VAL  21           HA       VAL  21   1.444   6.837   6.837
  128    HB   VAL  21           HB       VAL  21   0.304   4.961   4.961
  129   1HG1  VAL  21          2HG1      VAL  21  -0.969   6.386   6.386
  130   2HG1  VAL  21          3HG1      VAL  21  -1.883   5.593   5.593
  131   3HG1  VAL  21          1HG1      VAL  21  -0.818   4.630   4.630
  132   1HG2  VAL  21          1HG2      VAL  21   0.840   7.692   7.692
  133   2HG2  VAL  21          2HG2      VAL  21  -0.262   6.723   6.723
  134   3HG2  VAL  21          3HG2      VAL  21  -0.892   7.612   7.612
  135    H    PHE  22           H        PHE  22   2.885   3.908   3.908
  136    HA   PHE  22           HA       PHE  22   2.905   2.759   2.759
  137   1HB   PHE  22          1HB       PHE  22   2.407   1.229   1.229
  138   2HB   PHE  22          2HB       PHE  22   2.246   0.591   0.591
  139    HD1  PHE  22          2HD       PHE  22   0.435   1.723   1.723
  140    HD2  PHE  22          1HD       PHE  22   0.526   2.019   2.019
  141    HE1  PHE  22          2HE       PHE  22  -2.005   2.309   2.309
  142    HE2  PHE  22          1HE       PHE  22  -1.915   2.605   2.605
  143    HZ   PHE  22           HZ       PHE  22  -3.151   2.743   2.743
  144    H    GLU  23           H        GLU  23   4.969   2.307   2.307
  145    HA   GLU  23           HA       GLU  23   6.781   1.533   1.533
  146   1HB   GLU  23          1HB       GLU  23   7.712   3.605   3.605
  147   2HB   GLU  23          2HB       GLU  23   7.025   3.774   3.774
  148   1HG   GLU  23          1HG       GLU  23   8.723   2.181   2.181
  149   2HG   GLU  23          2HG       GLU  23   9.401   1.983   1.983
  150    H    MET  24           H        MET  24   8.698   0.249   0.249
  151    HA   MET  24           HA       MET  24   7.824  -1.780  -1.780
  152   1HB   MET  24          1HB       MET  24  10.770  -1.164  -1.164
  153   2HB   MET  24          2HB       MET  24   9.984  -2.730  -2.730
  154   1HG   MET  24          1HG       MET  24   9.967  -2.617  -2.617
  155   2HG   MET  24          2HG       MET  24   8.674  -1.446  -1.446
  156   1HE   MET  24          3HE       MET  24   9.808  -1.456  -1.456
  157   2HE   MET  24          1HE       MET  24  10.467   0.147   0.147
  158   3HE   MET  24          2HE       MET  24  11.565  -1.236  -1.236
  159    H    ASN  25           H        ASN  25   8.464  -2.416  -2.416
  160    HA   ASN  25           HA       ASN  25   8.561  -0.339  -0.339
  161   1HB   ASN  25          1HB       ASN  25   7.967  -2.908  -2.908
  162   2HB   ASN  25          2HB       ASN  25   9.673  -3.102  -3.102
  163   1HD2  ASN  25          1HD2      ASN  25  10.021  -3.231  -3.231
  164   2HD2  ASN  25          2HD2      ASN  25   9.278  -2.298  -2.298
  165    H    GLU  26           H        GLU  26  10.747  -1.797  -1.797
  166    HA   GLU  26           HA       GLU  26  12.884  -0.146  -0.146
  167   1HB   GLU  26          1HB       GLU  26  12.042  -0.886  -0.886
  168   2HB   GLU  26          2HB       GLU  26  13.308  -2.075  -2.075
  169   1HG   GLU  26          1HG       GLU  26  14.293   0.496   0.496
  170   2HG   GLU  26          2HG       GLU  26  13.591   0.701   0.701
  171    H    GLU  27           H        GLU  27  11.880  -3.500  -3.500
  172    HA   GLU  27           HA       GLU  27  14.389  -4.031  -4.031
  173   1HB   GLU  27          1HB       GLU  27  13.099  -6.274  -6.274
  174   2HB   GLU  27          2HB       GLU  27  14.783  -6.047  -6.047
  175   1HG   GLU  27          1HG       GLU  27  14.765  -4.020  -4.020
  176   2HG   GLU  27          2HG       GLU  27  13.215  -4.614  -4.614
  177    H    GLY  28           H        GLY  28  11.209  -3.524  -3.524
  178   1HA   GLY  28          1HA       GLY  28   9.799  -3.987  -3.987
  179   2HA   GLY  28          2HA       GLY  28  11.032  -4.989  -4.989
  180    H    ASP  29           H        ASP  29  10.186  -5.628  -5.628
  181    HA   ASP  29           HA       ASP  29   9.313  -8.221  -8.221
  182   1HB   ASP  29          1HB       ASP  29  10.537  -7.161  -7.161
  183   2HB   ASP  29          2HB       ASP  29   8.883  -7.234  -7.234
  184    H    LYS  30           H        LYS  30   7.852  -5.183  -5.183
  185    HA   LYS  30           HA       LYS  30   5.247  -6.244  -6.244
  186   1HB   LYS  30          1HB       LYS  30   5.539  -6.389  -6.389
  187   2HB   LYS  30          2HB       LYS  30   5.797  -4.656  -4.656
  188   1HG   LYS  30          1HG       LYS  30   3.478  -4.668  -4.668
  189   2HG   LYS  30          2HG       LYS  30   3.270  -6.188  -6.188
  190   1HD   LYS  30          1HD       LYS  30   4.253  -4.111  -4.111
  191   2HD   LYS  30          2HD       LYS  30   2.785  -3.588  -3.588
  192   1HE   LYS  30          1HE       LYS  30   2.091  -4.751  -4.751
  193   2HE   LYS  30          2HE       LYS  30   1.753  -5.855  -5.855
  194   1HZ   LYS  30          1HZ       LYS  30   3.312  -7.284  -7.284
  195   2HZ   LYS  30          2HZ       LYS  30   4.386  -6.121  -6.121
  196    H    ALA  31           H        ALA  31   3.763  -4.662  -4.662
  197    HA   ALA  31           HA       ALA  31   5.115  -2.500  -2.500
  198   1HB   ALA  31          1HB       ALA  31   2.664  -4.024  -4.024
  199   2HB   ALA  31          2HB       ALA  31   2.308  -2.280  -2.280
  200   3HB   ALA  31          3HB       ALA  31   3.479  -2.990  -2.990
  201    H    VAL  32           H        VAL  32   5.614  -0.650  -0.650
  202    HA   VAL  32           HA       VAL  32   3.917   0.138   0.138
  203    HB   VAL  32           HB       VAL  32   6.617   0.045   0.045
  204   1HG1  VAL  32          1HG1      VAL  32   6.326   2.022   2.022
  205   2HG1  VAL  32          2HG1      VAL  32   5.999   2.997   2.997
  206   3HG1  VAL  32          3HG1      VAL  32   7.562   2.165   2.165
  207   1HG2  VAL  32          1HG2      VAL  32   4.981   1.839   1.839
  208   2HG2  VAL  32          2HG2      VAL  32   5.512   0.170   0.170
  209   3HG2  VAL  32          3HG2      VAL  32   6.710   1.482   1.482
  210    H    VAL  33           H        VAL  33   2.870   2.180   2.180
  211    HA   VAL  33           HA       VAL  33   2.167   3.198   3.198
  212    HB   VAL  33           HB       VAL  33   1.193   3.979   3.979
  213   1HG1  VAL  33          3HG1      VAL  33   0.837   5.497   5.497
  214   2HG1  VAL  33          1HG1      VAL  33  -0.371   4.271   4.271
  215   3HG1  VAL  33          2HG1      VAL  33  -0.531   5.154   5.154
  216   1HG2  VAL  33          2HG2      VAL  33   0.864   1.513   1.513
  217   2HG2  VAL  33          3HG2      VAL  33  -0.040   2.121   2.121
  218   3HG2  VAL  33          1HG2      VAL  33  -0.667   2.390   2.390
  219    H    ILE  34           H        ILE  34   2.483   5.364   5.364
  220    HA   ILE  34           HA       ILE  34   4.465   6.827   6.827
  221    HB   ILE  34           HB       ILE  34   4.576   7.427   7.427
  222   1HG1  ILE  34          1HG1      ILE  34   5.241   4.559   4.559
  223   2HG1  ILE  34          2HG1      ILE  34   3.777   5.058   5.058
  224   1HG2  ILE  34          1HG2      ILE  34   6.244   7.891   7.891
  225   2HG2  ILE  34          2HG2      ILE  34   6.719   6.182   6.182
  226   3HG2  ILE  34          3HG2      ILE  34   6.898   7.280   7.280
  227   1HD1  ILE  34          2HD1      ILE  34   6.667   5.569   5.569
  228   2HD1  ILE  34          3HD1      ILE  34   5.586   4.332   4.332
  229   3HD1  ILE  34          1HD1      ILE  34   5.219   6.059   6.059
  230    H    ASN  35           H        ASN  35   1.550   6.844   6.844
  231    HA   ASN  35           HA       ASN  35   1.246   9.656   9.656
  232   1HB   ASN  35          1HB       ASN  35   1.292   8.705   8.705
  233   2HB   ASN  35          2HB       ASN  35  -0.394   8.370   8.370
  234   1HD2  ASN  35          1HD2      ASN  35   1.428  10.460  10.460
  235   2HD2  ASN  35          2HD2      ASN  35   0.616  11.966  11.966
  236    HA   PRO  36           HA       PRO  36  -2.003   7.312   7.312
  237   1HB   PRO  36          1HB       PRO  36  -1.808   8.583   8.583
  238   2HB   PRO  36          2HB       PRO  36  -0.940   7.109   7.109
  239   1HG   PRO  36          1HG       PRO  36   0.089   9.875   9.875
  240   2HG   PRO  36          2HG       PRO  36   0.981   8.367   8.367
  241   1HD   PRO  36          1HD       PRO  36   0.766  10.166  10.166
  242   2HD   PRO  36          2HD       PRO  36   1.560   8.604   8.604
  243    H    ASP  37           H        ASP  37  -2.280   9.460   9.460
  244    HA   ASP  37           HA       ASP  37  -4.850  10.158  10.158
  245   1HB   ASP  37          1HB       ASP  37  -3.961  11.569  11.569
  246   2HB   ASP  37          2HB       ASP  37  -2.805  12.309  12.309
  247    H    SER  38           H        SER  38  -3.347   9.248   9.248
  248    HA   SER  38           HA       SER  38  -2.392  11.220  11.220
  249   1HB   SER  38          1HB       SER  38  -2.507   8.509   8.509
  250   2HB   SER  38          2HB       SER  38  -3.797   8.874   8.874
  251    HG   SER  38           HG       SER  38  -1.842  10.524  10.524
  252    H    ASP  39           H        ASP  39  -3.868  10.817  10.817
  253    HA   ASP  39           HA       ASP  39  -6.579  11.386  11.386
  254   1HB   ASP  39          1HB       ASP  39  -6.384  13.754  13.754
  255   2HB   ASP  39          2HB       ASP  39  -6.045  13.594  13.594
  256    H    LEU  40           H        LEU  40  -4.772   9.643   9.643
  257    HA   LEU  40           HA       LEU  40  -5.474  10.566  10.566
  258   1HB   LEU  40          1HB       LEU  40  -3.382   9.002   9.002
  259   2HB   LEU  40          2HB       LEU  40  -3.264  10.733  10.733
  260    HG   LEU  40           HG       LEU  40  -2.569  10.392  10.392
  261   1HD1  LEU  40          1HD1      LEU  40  -3.555   7.696   7.696
  262   2HD1  LEU  40          2HD1      LEU  40  -1.917   7.699   7.699
  263   3HD1  LEU  40          3HD1      LEU  40  -3.240   8.549   8.549
  264   1HD2  LEU  40          3HD2      LEU  40  -1.085   9.693   9.693
  265   2HD2  LEU  40          1HD2      LEU  40  -0.494  10.350  10.350
  266   3HD2  LEU  40          2HD2      LEU  40  -0.599   8.589   8.589
  267    H    ASP  41           H        ASP  41  -5.526   8.587   8.587
  268    HA   ASP  41           HA       ASP  41  -7.345   6.763   6.763
  269   1HB   ASP  41          1HB       ASP  41  -7.450   7.779   7.779
  270   2HB   ASP  41          2HB       ASP  41  -6.179   6.653   6.653
  271    H    CYS  42           H        CYS  42  -4.009   6.985   6.985
  272    HA   CYS  42           HA       CYS  42  -3.053   4.603   4.603
  273   1HB   CYS  42          1HB       CYS  42  -2.169   6.660   6.660
  274   2HB   CYS  42          2HB       CYS  42  -1.510   5.073   5.073
  275    H    VAL  43           H        VAL  43  -4.964   5.379   5.379
  276    HA   VAL  43           HA       VAL  43  -4.380   2.997   2.997
  277    HB   VAL  43           HB       VAL  43  -6.780   4.825   4.825
  278   1HG1  VAL  43          1HG1      VAL  43  -5.585   2.720   2.720
  279   2HG1  VAL  43          2HG1      VAL  43  -6.541   4.063   4.063
  280   3HG1  VAL  43          3HG1      VAL  43  -7.277   2.947   2.947
  281   1HG2  VAL  43          3HG2      VAL  43  -4.333   5.813   5.813
  282   2HG2  VAL  43          1HG2      VAL  43  -5.592   6.311   6.311
  283   3HG2  VAL  43          2HG2      VAL  43  -4.378   5.099   5.099
  284    H    GLU  44           H        GLU  44  -6.605   3.919   3.919
  285    HA   GLU  44           HA       GLU  44  -8.283   1.676   1.676
  286   1HB   GLU  44          1HB       GLU  44  -8.123   4.010   4.010
  287   2HB   GLU  44          2HB       GLU  44  -8.523   2.576   2.576
  288   1HG   GLU  44          1HG       GLU  44 -10.241   2.116   2.116
  289   2HG   GLU  44          2HG       GLU  44 -10.045   3.827   3.827
  290    H    GLU  45           H        GLU  45  -5.413   2.471   2.471
  291    HA   GLU  45           HA       GLU  45  -5.602  -0.042  -0.042
  292   1HB   GLU  45          1HB       GLU  45  -3.580   0.713   0.713
  293   2HB   GLU  45          2HB       GLU  45  -4.803   1.969   1.969
  294   1HG   GLU  45          1HG       GLU  45  -3.539   2.736   2.736
  295   2HG   GLU  45          2HG       GLU  45  -2.204   1.850   1.850
  296    H    ALA  46           H        ALA  46  -4.008   1.360   1.360
  297    HA   ALA  46           HA       ALA  46  -1.951  -0.604  -0.604
  298   1HB   ALA  46          1HB       ALA  46  -3.104   1.446   1.446
  299   2HB   ALA  46          2HB       ALA  46  -1.733   0.386   0.386
  300   3HB   ALA  46          3HB       ALA  46  -1.591   1.553   1.553
  301    H    ILE  47           H        ILE  47  -5.359  -0.421  -0.421
  302    HA   ILE  47           HA       ILE  47  -5.137  -2.636  -2.636
  303    HB   ILE  47           HB       ILE  47  -7.236  -0.668  -0.668
  304   1HG1  ILE  47          1HG1      ILE  47  -6.809  -1.675  -1.675
  305   2HG1  ILE  47          2HG1      ILE  47  -5.510  -0.708  -0.708
  306   1HG2  ILE  47          1HG2      ILE  47  -7.760  -3.467  -3.467
  307   2HG2  ILE  47          2HG2      ILE  47  -8.827  -2.124  -2.124
  308   3HG2  ILE  47          3HG2      ILE  47  -8.605  -2.518  -2.518
  309   1HD1  ILE  47          2HD1      ILE  47  -7.846   0.685   0.685
  310   2HD1  ILE  47          3HD1      ILE  47  -8.167   0.084   0.084
  311   3HD1  ILE  47          1HD1      ILE  47  -6.731   1.087   1.087
  312    H    ASP  48           H        ASP  48  -6.694  -1.832  -1.832
  313    HA   ASP  48           HA       ASP  48  -7.783  -4.293  -4.293
  314   1HB   ASP  48          1HB       ASP  48  -7.659  -1.933  -1.933
  315   2HB   ASP  48          2HB       ASP  48  -6.545  -2.877  -2.877
  316    H    SER  49           H        SER  49  -4.562  -2.932  -2.932
  317    HA   SER  49           HA       SER  49  -3.689  -5.211  -5.211
  318   1HB   SER  49          1HB       SER  49  -2.153  -2.965  -2.965
  319   2HB   SER  49          2HB       SER  49  -1.376  -4.196  -4.196
  320    HG   SER  49           HG       SER  49  -3.480  -2.435  -2.435
  321    H    CYS  50           H        CYS  50  -4.185  -4.552  -4.552
  322    HA   CYS  50           HA       CYS  50  -2.179  -6.428  -6.428
  323   1HB   CYS  50          1HB       CYS  50  -2.446  -4.532  -4.532
  324   2HB   CYS  50          2HB       CYS  50  -4.190  -4.695  -4.695
  325    HA   PRO  51           HA       PRO  51  -5.236  -9.582  -9.582
  326   1HB   PRO  51          1HB       PRO  51  -3.570 -11.718 -11.718
  327   2HB   PRO  51          2HB       PRO  51  -3.816 -10.944 -10.944
  328   1HG   PRO  51          1HG       PRO  51  -1.492 -10.755 -10.755
  329   2HG   PRO  51          2HG       PRO  51  -1.590 -10.353 -10.353
  330   1HD   PRO  51          1HD       PRO  51  -1.573  -8.512  -8.512
  331   2HD   PRO  51          2HD       PRO  51  -1.787  -8.119  -8.119
  332    H    ALA  52           H        ALA  52  -3.088  -9.168  -9.168
  333    HA   ALA  52           HA       ALA  52  -4.619 -10.950 -10.950
  334   1HB   ALA  52          2HB       ALA  52  -2.159  -9.258  -9.258
  335   2HB   ALA  52          3HB       ALA  52  -3.025  -9.650  -9.650
  336   3HB   ALA  52          1HB       ALA  52  -2.422 -10.958 -10.958
  337    H    GLU  53           H        GLU  53  -5.074  -7.836  -7.836
  338    HA   GLU  53           HA       GLU  53  -6.110  -6.017  -6.017
  339   1HB   GLU  53          1HB       GLU  53  -7.863  -7.778  -7.778
  340   2HB   GLU  53          2HB       GLU  53  -8.189  -7.995  -7.995
  341   1HG   GLU  53          1HG       GLU  53  -9.359  -6.041  -6.041
  342   2HG   GLU  53          2HG       GLU  53  -8.137  -5.145  -5.145
  343    H    ALA  54           H        ALA  54  -4.177  -6.543  -6.543
  344    HA   ALA  54           HA       ALA  54  -5.415  -6.646  -6.646
  345   1HB   ALA  54          2HB       ALA  54  -2.940  -7.334  -7.334
  346   2HB   ALA  54          3HB       ALA  54  -2.592  -5.842  -5.842
  347   3HB   ALA  54          1HB       ALA  54  -3.338  -7.232  -7.232
  348    H    ILE  55           H        ILE  55  -4.864  -4.287  -4.287
  349    HA   ILE  55           HA       ILE  55  -4.460  -2.124  -2.124
  350    HB   ILE  55           HB       ILE  55  -4.835  -2.089  -2.089
  351   1HG1  ILE  55          1HG1      ILE  55  -2.803  -3.354  -3.354
  352   2HG1  ILE  55          2HG1      ILE  55  -2.588  -2.358  -2.358
  353   1HG2  ILE  55          3HG2      ILE  55  -4.147   0.016   0.016
  354   2HG2  ILE  55          1HG2      ILE  55  -3.551   0.138   0.138
  355   3HG2  ILE  55          2HG2      ILE  55  -5.301   0.077   0.077
  356   1HD1  ILE  55          3HD1      ILE  55  -2.228  -1.338  -1.338
  357   2HD1  ILE  55          1HD1      ILE  55  -0.897  -1.973  -1.973
  358   3HD1  ILE  55          2HD1      ILE  55  -1.770  -0.508  -0.508
  359    H    VAL  56           H        VAL  56  -6.044  -0.860  -0.860
  360    HA   VAL  56           HA       VAL  56  -8.625  -0.810  -0.810
  361    HB   VAL  56           HB       VAL  56  -9.482  -1.137  -1.137
  362   1HG1  VAL  56          2HG1      VAL  56 -10.129  -2.309  -2.309
  363   2HG1  VAL  56          3HG1      VAL  56  -8.935  -3.551  -3.551
  364   3HG1  VAL  56          1HG1      VAL  56 -10.329  -3.232  -3.232
  365   1HG2  VAL  56          3HG2      VAL  56  -7.228  -1.610  -1.610
  366   2HG2  VAL  56          1HG2      VAL  56  -8.314  -3.009  -3.009
  367   3HG2  VAL  56          2HG2      VAL  56  -7.092  -2.996  -2.996
  368    H    ARG  57           H        ARG  57  -9.949   1.013   1.013
  369    HA   ARG  57           HA       ARG  57  -8.243   3.152   3.152
  370   1HB   ARG  57          1HB       ARG  57 -11.098   2.994   2.994
  371   2HB   ARG  57          2HB       ARG  57 -10.449   4.498   4.498
  372   1HG   ARG  57          1HG       ARG  57  -8.404   3.823   3.823
  373   2HG   ARG  57          2HG       ARG  57  -9.705   2.991   2.991
  374   1HD   ARG  57          1HD       ARG  57  -9.820   5.938   5.938
  375   2HD   ARG  57          2HD       ARG  57  -9.327   5.382   5.382
  376    HE   ARG  57           HE       ARG  57 -12.050   5.482   5.482
  377   1HH1  ARG  57          2HH2      ARG  57  -9.936   3.791   3.791
  378   2HH1  ARG  57          1HH2      ARG  57 -11.238   3.290   3.290
  379   1HH2  ARG  57          2HH1      ARG  57 -13.730   4.825   4.825
  380   2HH2  ARG  57          1HH1      ARG  57 -13.483   3.907   3.907
  381    H    SER  58           H        SER  58  -8.597   1.312   1.312
  382    HA   SER  58           HA       SER  58 -10.706   1.474   1.474
  383   1HB   SER  58          1HB       SER  58  -8.369   0.306   0.306
  384   2HB   SER  58          2HB       SER  58  -7.917   1.752   1.752
  385    HG   SER  58           HG       SER  58  -8.989  -0.259  -0.259

  Start of MODEL    2
    1    HA   PRO   1           HA       PRO   1  -7.948   6.844   6.844
    2   1HB   PRO   1          1HB       PRO   1  -5.302   7.422   7.422
    3   2HB   PRO   1          2HB       PRO   1  -6.452   8.569   8.569
    4   1HG   PRO   1          1HG       PRO   1  -4.367   7.022   7.022
    5   2HG   PRO   1          2HG       PRO   1  -5.223   8.455   8.455
    6   1HD   PRO   1          1HD       PRO   1  -5.695   5.756   5.756
    7   2HD   PRO   1          2HD       PRO   1  -6.625   7.174   7.174
    8    H    ILE   2           H        ILE   2  -4.793   5.336   5.336
    9    HA   ILE   2           HA       ILE   2  -5.781   3.112   3.112
   10    HB   ILE   2           HB       ILE   2  -3.683   3.272   3.272
   11   1HG1  ILE   2          1HG1      ILE   2  -2.845   5.129   5.129
   12   2HG1  ILE   2          2HG1      ILE   2  -2.242   5.012   5.012
   13   1HG2  ILE   2          2HG2      ILE   2  -6.009   5.147   5.147
   14   2HG2  ILE   2          3HG2      ILE   2  -4.670   5.314   5.314
   15   3HG2  ILE   2          1HG2      ILE   2  -5.559   3.777   3.777
   16   1HD1  ILE   2          1HD1      ILE   2  -4.737   6.604   6.604
   17   2HD1  ILE   2          2HD1      ILE   2  -3.247   7.283   7.283
   18   3HD1  ILE   2          3HD1      ILE   2  -3.338   6.938   6.938
   19    H    GLU   3           H        GLU   3  -5.499   1.408   1.408
   20    HA   GLU   3           HA       GLU   3  -2.957   1.347   1.347
   21   1HB   GLU   3          1HB       GLU   3  -5.219   1.572   1.572
   22   2HB   GLU   3          2HB       GLU   3  -5.436  -0.125  -0.125
   23   1HG   GLU   3          1HG       GLU   3  -4.233  -0.478  -0.478
   24   2HG   GLU   3          2HG       GLU   3  -2.843  -0.174  -0.174
   25    H    VAL   4           H        VAL   4  -1.930  -0.775  -0.775
   26    HA   VAL   4           HA       VAL   4  -2.866  -2.655  -2.655
   27    HB   VAL   4           HB       VAL   4  -0.832  -1.669  -1.669
   28   1HG1  VAL   4          3HG1      VAL   4  -0.205  -1.659  -1.659
   29   2HG1  VAL   4          1HG1      VAL   4   1.144  -2.292  -2.292
   30   3HG1  VAL   4          2HG1      VAL   4   0.474  -0.681  -0.681
   31   1HG2  VAL   4          2HG2      VAL   4  -1.104  -4.222  -4.222
   32   2HG2  VAL   4          3HG2      VAL   4   0.532  -3.564  -3.564
   33   3HG2  VAL   4          1HG2      VAL   4   0.075  -4.265  -4.265
   34    H    ASN   5           H        ASN   5  -3.032  -4.841  -4.841
   35    HA   ASN   5           HA       ASN   5  -3.281  -5.316  -5.316
   36   1HB   ASN   5          1HB       ASN   5  -3.466  -7.200  -7.200
   37   2HB   ASN   5          2HB       ASN   5  -3.903  -7.655  -7.655
   38   1HD2  ASN   5          1HD2      ASN   5  -5.969  -8.113  -8.113
   39   2HD2  ASN   5          2HD2      ASN   5  -7.148  -6.856  -6.856
   40    H    ASP   6           H        ASP   6  -2.388  -7.954  -7.954
   41    HA   ASP   6           HA       ASP   6   0.477  -7.590  -7.590
   42   1HB   ASP   6          1HB       ASP   6  -0.321  -7.882  -7.882
   43   2HB   ASP   6          2HB       ASP   6  -1.199  -9.332  -9.332
   44    H    ASP   7           H        ASP   7  -2.272  -9.331  -9.331
   45    HA   ASP   7           HA       ASP   7  -1.227 -11.850 -11.850
   46   1HB   ASP   7          1HB       ASP   7  -3.533 -10.307 -10.307
   47   2HB   ASP   7          2HB       ASP   7  -2.909 -11.165 -11.165
   48    H    CYS   8           H        CYS   8  -0.777  -8.750  -8.750
   49    HA   CYS   8           HA       CYS   8   0.012  -9.587  -9.587
   50   1HB   CYS   8          1HB       CYS   8  -0.317  -7.276  -7.276
   51   2HB   CYS   8          2HB       CYS   8   0.763  -7.197  -7.197
   52    H    MET   9           H        MET   9   2.093 -10.148 -10.148
   53    HA   MET   9           HA       MET   9   3.866 -11.263 -11.263
   54   1HB   MET   9          1HB       MET   9   3.093 -11.868 -11.868
   55   2HB   MET   9          2HB       MET   9   4.806 -12.065 -12.065
   56   1HG   MET   9          1HG       MET   9   2.646 -13.313 -13.313
   57   2HG   MET   9          2HG       MET   9   3.360 -14.149 -14.149
   58   1HE   MET   9          3HE       MET   9   3.480 -12.843 -12.843
   59   2HE   MET   9          1HE       MET   9   3.744 -14.569 -14.569
   60   3HE   MET   9          2HE       MET   9   5.006 -13.379 -13.379
   61    H    ALA  10           H        ALA  10   4.281  -9.730  -9.730
   62    HA   ALA  10           HA       ALA  10   5.671  -7.525  -7.525
   63   1HB   ALA  10          1HB       ALA  10   7.377 -10.004 -10.004
   64   2HB   ALA  10          2HB       ALA  10   8.087  -8.486  -8.486
   65   3HB   ALA  10          3HB       ALA  10   7.403  -8.561  -8.561
   66    H    CYS  11           H        CYS  11   3.880  -8.175  -8.175
   67    HA   CYS  11           HA       CYS  11   5.171  -8.923  -8.923
   68   1HB   CYS  11          1HB       CYS  11   2.487  -7.628  -7.628
   69   2HB   CYS  11          2HB       CYS  11   3.037  -8.165  -8.165
   70    H    GLU  12           H        GLU  12   4.314  -5.875  -5.875
   71    HA   GLU  12           HA       GLU  12   4.847  -3.797  -3.797
   72   1HB   GLU  12          1HB       GLU  12   7.181  -5.045  -5.045
   73   2HB   GLU  12          2HB       GLU  12   7.065  -3.322  -3.322
   74   1HG   GLU  12          1HG       GLU  12   7.688  -3.547  -3.547
   75   2HG   GLU  12          2HG       GLU  12   6.557  -4.857  -4.857
   76    H    ALA  13           H        ALA  13   3.081  -5.254  -5.254
   77    HA   ALA  13           HA       ALA  13   3.599  -4.208  -4.208
   78   1HB   ALA  13          1HB       ALA  13   2.189  -6.236  -6.236
   79   2HB   ALA  13          2HB       ALA  13   0.927  -5.086  -5.086
   80   3HB   ALA  13          3HB       ALA  13   1.460  -5.135  -5.135
   81    H    CYS  14           H        CYS  14   1.414  -3.232  -3.232
   82    HA   CYS  14           HA       CYS  14   0.330  -1.040  -1.040
   83   1HB   CYS  14          1HB       CYS  14   0.643  -0.990  -0.990
   84   2HB   CYS  14          2HB       CYS  14  -0.731  -0.537  -0.537
   85    H    VAL  15           H        VAL  15   3.381  -1.632  -1.632
   86    HA   VAL  15           HA       VAL  15   4.020   1.128   1.128
   87    HB   VAL  15           HB       VAL  15   5.643  -1.418  -1.418
   88   1HG1  VAL  15          3HG1      VAL  15   6.733   1.041   1.041
   89   2HG1  VAL  15          1HG1      VAL  15   6.624   1.018   1.018
   90   3HG1  VAL  15          2HG1      VAL  15   7.518  -0.262  -0.262
   91   1HG2  VAL  15          3HG2      VAL  15   3.685  -0.848  -0.848
   92   2HG2  VAL  15          1HG2      VAL  15   5.241  -1.441  -1.441
   93   3HG2  VAL  15          2HG2      VAL  15   4.860   0.297   0.297
   94    H    GLU  16           H        GLU  16   4.464  -1.372  -1.372
   95    HA   GLU  16           HA       GLU  16   6.395   0.156   0.156
   96   1HB   GLU  16          1HB       GLU  16   5.905  -2.448  -2.448
   97   2HB   GLU  16          2HB       GLU  16   4.751  -2.048  -2.048
   98   1HG   GLU  16          1HG       GLU  16   6.432  -1.952  -1.952
   99   2HG   GLU  16          2HG       GLU  16   7.154  -0.623  -0.623
  100    H    ILE  17           H        ILE  17   2.966   0.267   0.267
  101    HA   ILE  17           HA       ILE  17   2.666   1.630   1.630
  102    HB   ILE  17           HB       ILE  17   1.191  -0.370  -0.370
  103   1HG1  ILE  17          1HG1      ILE  17   0.949   0.319   0.319
  104   2HG1  ILE  17          2HG1      ILE  17  -0.661   0.505   0.505
  105   1HG2  ILE  17          2HG2      ILE  17   0.555   1.261   1.261
  106   2HG2  ILE  17          3HG2      ILE  17  -0.528   1.993   1.993
  107   3HG2  ILE  17          1HG2      ILE  17  -0.716   0.278   0.278
  108   1HD1  ILE  17          1HD1      ILE  17  -0.044   2.956   2.956
  109   2HD1  ILE  17          2HD1      ILE  17   1.407   2.660   2.660
  110   3HD1  ILE  17          3HD1      ILE  17  -0.211   2.475   2.475
  111    H    CYS  18           H        CYS  18   2.581   1.988   1.988
  112    HA   CYS  18           HA       CYS  18   2.439   4.856   4.856
  113   1HB   CYS  18          1HB       CYS  18   0.111   3.869   3.869
  114   2HB   CYS  18          2HB       CYS  18   0.708   3.590   3.590
  115    HA   PRO  19           HA       PRO  19   5.543   3.387   3.387
  116   1HB   PRO  19          1HB       PRO  19   7.740   4.541   4.541
  117   2HB   PRO  19          2HB       PRO  19   7.254   2.886   2.886
  118   1HG   PRO  19          1HG       PRO  19   6.973   5.259   5.259
  119   2HG   PRO  19          2HG       PRO  19   6.895   3.563   3.563
  120   1HD   PRO  19          1HD       PRO  19   4.682   5.364   5.364
  121   2HD   PRO  19          2HD       PRO  19   4.597   3.643   3.643
  122    H    ASP  20           H        ASP  20   3.982   6.093   6.093
  123    HA   ASP  20           HA       ASP  20   5.631   7.699   7.699
  124   1HB   ASP  20          1HB       ASP  20   4.337   8.318   8.318
  125   2HB   ASP  20          2HB       ASP  20   3.159   8.867   8.867
  126    H    VAL  21           H        VAL  21   2.897   5.628   5.628
  127    HA   VAL  21           HA       VAL  21   1.745   6.954   6.954
  128    HB   VAL  21           HB       VAL  21   0.465   5.249   5.249
  129   1HG1  VAL  21          1HG1      VAL  21  -0.720   6.317   6.317
  130   2HG1  VAL  21          2HG1      VAL  21  -1.659   5.612   5.612
  131   3HG1  VAL  21          3HG1      VAL  21  -0.487   4.610   4.610
  132   1HG2  VAL  21          2HG2      VAL  21   0.871   7.625   7.625
  133   2HG2  VAL  21          3HG2      VAL  21  -0.862   7.226   7.226
  134   3HG2  VAL  21          1HG2      VAL  21  -0.077   8.118   8.118
  135    H    PHE  22           H        PHE  22   3.358   4.173   4.173
  136    HA   PHE  22           HA       PHE  22   3.144   2.886   2.886
  137   1HB   PHE  22          1HB       PHE  22   2.980   1.464   1.464
  138   2HB   PHE  22          2HB       PHE  22   2.720   0.730   0.730
  139    HD1  PHE  22          2HD       PHE  22   0.744   1.807   1.807
  140    HD2  PHE  22          1HD       PHE  22   1.133   2.071   2.071
  141    HE1  PHE  22          2HE       PHE  22  -1.718   2.252   2.252
  142    HE2  PHE  22          1HE       PHE  22  -1.328   2.516   2.516
  143    HZ   PHE  22           HZ       PHE  22  -2.725   2.601   2.601
  144    H    GLU  23           H        GLU  23   5.073   2.031   2.031
  145    HA   GLU  23           HA       GLU  23   7.127   1.491   1.491
  146   1HB   GLU  23          1HB       GLU  23   7.757   3.738   3.738
  147   2HB   GLU  23          2HB       GLU  23   7.259   3.772   3.772
  148   1HG   GLU  23          1HG       GLU  23   9.700   3.754   3.754
  149   2HG   GLU  23          2HG       GLU  23   9.155   2.228   2.228
  150    H    MET  24           H        MET  24   8.509  -0.157  -0.157
  151    HA   MET  24           HA       MET  24   7.671  -1.793  -1.793
  152   1HB   MET  24          1HB       MET  24  10.632  -1.628  -1.628
  153   2HB   MET  24          2HB       MET  24   9.607  -3.047  -3.047
  154   1HG   MET  24          1HG       MET  24   8.428  -1.936  -1.936
  155   2HG   MET  24          2HG       MET  24   9.948  -1.074  -1.074
  156   1HE   MET  24          1HE       MET  24  12.166  -2.027  -2.027
  157   2HE   MET  24          2HE       MET  24  12.421  -3.478  -3.478
  158   3HE   MET  24          3HE       MET  24  11.457  -2.121  -2.121
  159    H    ASN  25           H        ASN  25   8.370  -2.252  -2.252
  160    HA   ASN  25           HA       ASN  25   8.834  -0.015  -0.015
  161   1HB   ASN  25          1HB       ASN  25   9.020  -1.558  -1.558
  162   2HB   ASN  25          2HB       ASN  25   7.867  -2.264  -2.264
  163   1HD2  ASN  25          1HD2      ASN  25  10.049  -3.172  -3.172
  164   2HD2  ASN  25          2HD2      ASN  25  10.841  -4.489  -4.489
  165    H    GLU  26           H        GLU  26  10.913  -1.165  -1.165
  166    HA   GLU  26           HA       GLU  26  13.159  -0.031  -0.031
  167   1HB   GLU  26          1HB       GLU  26  12.394  -0.427  -0.427
  168   2HB   GLU  26          2HB       GLU  26  13.540  -1.743  -1.743
  169   1HG   GLU  26          1HG       GLU  26  15.173   0.011   0.011
  170   2HG   GLU  26          2HG       GLU  26  14.054   1.230   1.230
  171    H    GLU  27           H        GLU  27  12.347  -3.415  -3.415
  172    HA   GLU  27           HA       GLU  27  14.692  -4.459  -4.459
  173   1HB   GLU  27          1HB       GLU  27  12.130  -5.942  -5.942
  174   2HB   GLU  27          2HB       GLU  27  13.724  -6.646  -6.646
  175   1HG   GLU  27          1HG       GLU  27  13.707  -4.383  -4.383
  176   2HG   GLU  27          2HG       GLU  27  12.623  -5.672  -5.672
  177    H    GLY  28           H        GLY  28  11.739  -3.325  -3.325
  178   1HA   GLY  28          1HA       GLY  28  10.961  -3.306  -3.306
  179   2HA   GLY  28          2HA       GLY  28  12.465  -4.035  -4.035
  180    H    ASP  29           H        ASP  29  10.104  -5.357  -5.357
  181    HA   ASP  29           HA       ASP  29   9.761  -7.587  -7.587
  182   1HB   ASP  29          1HB       ASP  29  10.744  -7.665  -7.665
  183   2HB   ASP  29          2HB       ASP  29   9.037  -7.896  -7.896
  184    H    LYS  30           H        LYS  30   8.318  -4.867  -4.867
  185    HA   LYS  30           HA       LYS  30   5.661  -5.875  -5.875
  186   1HB   LYS  30          1HB       LYS  30   4.779  -4.766  -4.766
  187   2HB   LYS  30          2HB       LYS  30   5.698  -6.235  -6.235
  188   1HG   LYS  30          1HG       LYS  30   7.671  -4.243  -4.243
  189   2HG   LYS  30          2HG       LYS  30   6.307  -3.468  -3.468
  190   1HD   LYS  30          1HD       LYS  30   7.285  -6.255  -6.255
  191   2HD   LYS  30          2HD       LYS  30   7.869  -4.795  -4.795
  192   1HE   LYS  30          1HE       LYS  30   4.900  -4.999  -4.999
  193   2HE   LYS  30          2HE       LYS  30   5.681  -6.213  -6.213
  194   1HZ   LYS  30          1HZ       LYS  30   5.625  -3.289  -3.289
  195   2HZ   LYS  30          2HZ       LYS  30   5.399  -4.424  -4.424
  196    H    ALA  31           H        ALA  31   4.351  -4.364  -4.364
  197    HA   ALA  31           HA       ALA  31   5.711  -1.950  -1.950
  198   1HB   ALA  31          3HB       ALA  31   3.308  -3.538  -3.538
  199   2HB   ALA  31          1HB       ALA  31   3.339  -1.804  -1.804
  200   3HB   ALA  31          2HB       ALA  31   4.635  -2.876  -2.876
  201    H    VAL  32           H        VAL  32   5.793  -0.516  -0.516
  202    HA   VAL  32           HA       VAL  32   3.415  -0.089  -0.089
  203    HB   VAL  32           HB       VAL  32   6.148   1.204   1.204
  204   1HG1  VAL  32          2HG1      VAL  32   3.687   1.980   1.980
  205   2HG1  VAL  32          3HG1      VAL  32   4.894   1.495   1.495
  206   3HG1  VAL  32          1HG1      VAL  32   5.282   2.770   2.770
  207   1HG2  VAL  32          3HG2      VAL  32   6.211  -1.175  -1.175
  208   2HG2  VAL  32          1HG2      VAL  32   6.540  -0.165  -0.165
  209   3HG2  VAL  32          2HG2      VAL  32   4.943  -0.924  -0.924
  210    H    VAL  33           H        VAL  33   2.186   1.854   1.854
  211    HA   VAL  33           HA       VAL  33   2.033   3.157   3.157
  212    HB   VAL  33           HB       VAL  33   0.539   3.471   3.471
  213   1HG1  VAL  33          3HG1      VAL  33   0.665   5.552   5.552
  214   2HG1  VAL  33          1HG1      VAL  33  -0.354   4.622   4.622
  215   3HG1  VAL  33          2HG1      VAL  33  -0.943   4.987   4.987
  216   1HG2  VAL  33          3HG2      VAL  33   0.359   1.607   1.607
  217   2HG2  VAL  33          1HG2      VAL  33  -0.563   1.654   1.654
  218   3HG2  VAL  33          2HG2      VAL  33  -1.135   2.569   2.569
  219    H    ILE  34           H        ILE  34   2.681   5.229   5.229
  220    HA   ILE  34           HA       ILE  34   4.237   6.606   6.606
  221    HB   ILE  34           HB       ILE  34   4.917   7.597   7.597
  222   1HG1  ILE  34          1HG1      ILE  34   5.000   4.569   4.569
  223   2HG1  ILE  34          2HG1      ILE  34   3.834   5.548   5.548
  224   1HG2  ILE  34          1HG2      ILE  34   6.246   7.198   7.198
  225   2HG2  ILE  34          2HG2      ILE  34   6.559   5.580   5.580
  226   3HG2  ILE  34          3HG2      ILE  34   7.081   7.030   7.030
  227   1HD1  ILE  34          2HD1      ILE  34   6.861   5.848   5.848
  228   2HD1  ILE  34          3HD1      ILE  34   5.908   4.770   4.770
  229   3HD1  ILE  34          1HD1      ILE  34   5.622   6.527   6.527
  230    H    ASN  35           H        ASN  35   1.657   6.813   6.813
  231    HA   ASN  35           HA       ASN  35   1.267   9.578   9.578
  232   1HB   ASN  35          1HB       ASN  35   1.566   8.758   8.758
  233   2HB   ASN  35          2HB       ASN  35  -0.134   8.361   8.361
  234   1HD2  ASN  35          1HD2      ASN  35   0.774  10.237  10.237
  235   2HD2  ASN  35          2HD2      ASN  35   0.234  11.821  11.821
  236    HA   PRO  36           HA       PRO  36  -2.206   7.351   7.351
  237   1HB   PRO  36          1HB       PRO  36  -2.479   8.929   8.929
  238   2HB   PRO  36          2HB       PRO  36  -1.463   7.503   7.503
  239   1HG   PRO  36          1HG       PRO  36  -0.666  10.348  10.348
  240   2HG   PRO  36          2HG       PRO  36   0.310   8.944   8.944
  241   1HD   PRO  36          1HD       PRO  36   0.322  10.421  10.421
  242   2HD   PRO  36          2HD       PRO  36   1.210   8.949   8.949
  243    H    ASP  37           H        ASP  37  -2.293   9.277   9.277
  244    HA   ASP  37           HA       ASP  37  -4.982   9.793   9.793
  245   1HB   ASP  37          1HB       ASP  37  -4.436  11.485  11.485
  246   2HB   ASP  37          2HB       ASP  37  -3.233  12.206  12.206
  247    H    SER  38           H        SER  38  -3.023   8.765   8.765
  248    HA   SER  38           HA       SER  38  -1.734  10.188  10.188
  249   1HB   SER  38          1HB       SER  38  -1.998   7.863   7.863
  250   2HB   SER  38          2HB       SER  38  -3.743   7.980   7.980
  251    HG   SER  38           HG       SER  38  -2.656   7.777   7.777
  252    H    ASP  39           H        ASP  39  -5.271   9.582   9.582
  253    HA   ASP  39           HA       ASP  39  -6.851  10.927  10.927
  254   1HB   ASP  39          1HB       ASP  39  -5.532  12.743  12.743
  255   2HB   ASP  39          2HB       ASP  39  -4.915  13.264  13.264
  256    H    LEU  40           H        LEU  40  -4.259   9.824   9.824
  257    HA   LEU  40           HA       LEU  40  -4.444  11.390  11.390
  258   1HB   LEU  40          1HB       LEU  40  -2.882   8.851   8.851
  259   2HB   LEU  40          2HB       LEU  40  -2.581  10.200  10.200
  260    HG   LEU  40           HG       LEU  40  -2.454  10.730  10.730
  261   1HD1  LEU  40          1HD1      LEU  40  -1.079   8.540   8.540
  262   2HD1  LEU  40          2HD1      LEU  40   0.125   9.850   9.850
  263   3HD1  LEU  40          3HD1      LEU  40  -0.720   9.423   9.423
  264   1HD2  LEU  40          1HD2      LEU  40  -2.151  12.454  12.454
  265   2HD2  LEU  40          2HD2      LEU  40  -0.889  12.383  12.383
  266   3HD2  LEU  40          3HD2      LEU  40  -0.597  11.655  11.655
  267    H    ASP  41           H        ASP  41  -3.897   8.747   8.747
  268    HA   ASP  41           HA       ASP  41  -6.590   7.679   7.679
  269   1HB   ASP  41          1HB       ASP  41  -6.705   9.310   9.310
  270   2HB   ASP  41          2HB       ASP  41  -5.161   8.799   8.799
  271    H    CYS  42           H        CYS  42  -3.511   7.041   7.041
  272    HA   CYS  42           HA       CYS  42  -3.208   4.787   4.787
  273   1HB   CYS  42          1HB       CYS  42  -0.948   4.610   4.610
  274   2HB   CYS  42          2HB       CYS  42  -1.274   6.195   6.195
  275    H    VAL  43           H        VAL  43  -4.567   5.612   5.612
  276    HA   VAL  43           HA       VAL  43  -3.837   3.323   3.323
  277    HB   VAL  43           HB       VAL  43  -6.106   5.307   5.307
  278   1HG1  VAL  43          1HG1      VAL  43  -6.659   3.133   3.133
  279   2HG1  VAL  43          2HG1      VAL  43  -5.188   3.284   3.284
  280   3HG1  VAL  43          3HG1      VAL  43  -6.501   4.474   4.474
  281   1HG2  VAL  43          1HG2      VAL  43  -3.388   5.087   5.087
  282   2HG2  VAL  43          2HG2      VAL  43  -4.021   6.413   6.413
  283   3HG2  VAL  43          3HG2      VAL  43  -4.693   6.127   6.127
  284    H    GLU  44           H        GLU  44  -6.411   4.125   4.125
  285    HA   GLU  44           HA       GLU  44  -8.020   1.932   1.932
  286   1HB   GLU  44          1HB       GLU  44  -8.470   4.087   4.087
  287   2HB   GLU  44          2HB       GLU  44  -7.800   3.161   3.161
  288   1HG   GLU  44          1HG       GLU  44  -9.899   2.323   2.323
  289   2HG   GLU  44          2HG       GLU  44  -9.568   1.333   1.333
  290    H    GLU  45           H        GLU  45  -5.245   2.420   2.420
  291    HA   GLU  45           HA       GLU  45  -5.549  -0.205  -0.205
  292   1HB   GLU  45          1HB       GLU  45  -3.494   0.347   0.347
  293   2HB   GLU  45          2HB       GLU  45  -4.699   1.612   1.612
  294   1HG   GLU  45          1HG       GLU  45  -3.514   2.823   2.823
  295   2HG   GLU  45          2HG       GLU  45  -2.239   1.628   1.628
  296    H    ALA  46           H        ALA  46  -4.365   1.059   1.059
  297    HA   ALA  46           HA       ALA  46  -2.228  -0.911  -0.911
  298   1HB   ALA  46          1HB       ALA  46  -2.903   1.692   1.692
  299   2HB   ALA  46          2HB       ALA  46  -2.427   0.480   0.480
  300   3HB   ALA  46          3HB       ALA  46  -1.329   0.872   0.872
  301    H    ILE  47           H        ILE  47  -5.598  -0.542  -0.542
  302    HA   ILE  47           HA       ILE  47  -5.525  -2.546  -2.546
  303    HB   ILE  47           HB       ILE  47  -7.424  -0.373  -0.373
  304   1HG1  ILE  47          1HG1      ILE  47  -7.052  -1.135  -1.135
  305   2HG1  ILE  47          2HG1      ILE  47  -5.550  -0.666  -0.666
  306   1HG2  ILE  47          1HG2      ILE  47  -8.194  -3.072  -3.072
  307   2HG2  ILE  47          2HG2      ILE  47  -8.920  -1.695  -1.695
  308   3HG2  ILE  47          3HG2      ILE  47  -9.128  -1.852  -1.852
  309   1HD1  ILE  47          3HD1      ILE  47  -7.414   1.236   1.236
  310   2HD1  ILE  47          1HD1      ILE  47  -7.861   0.951   0.951
  311   3HD1  ILE  47          2HD1      ILE  47  -6.208   1.466   1.466
  312    H    ASP  48           H        ASP  48  -7.065  -1.687  -1.687
  313    HA   ASP  48           HA       ASP  48  -8.524  -4.000  -4.000
  314   1HB   ASP  48          1HB       ASP  48  -8.039  -1.717  -1.717
  315   2HB   ASP  48          2HB       ASP  48  -7.333  -2.974  -2.974
  316    H    SER  49           H        SER  49  -5.144  -3.134  -3.134
  317    HA   SER  49           HA       SER  49  -4.670  -5.579  -5.579
  318   1HB   SER  49          1HB       SER  49  -2.633  -3.631  -3.631
  319   2HB   SER  49          2HB       SER  49  -2.330  -4.831  -4.831
  320    HG   SER  49           HG       SER  49  -4.445  -3.248  -3.248
  321    H    CYS  50           H        CYS  50  -5.094  -4.782  -4.782
  322    HA   CYS  50           HA       CYS  50  -3.119  -6.627  -6.627
  323   1HB   CYS  50          1HB       CYS  50  -3.623  -4.513  -4.513
  324   2HB   CYS  50          2HB       CYS  50  -5.262  -5.068  -5.068
  325    HA   PRO  51           HA       PRO  51  -6.158  -9.803  -9.803
  326   1HB   PRO  51          1HB       PRO  51  -4.504 -11.920 -11.920
  327   2HB   PRO  51          2HB       PRO  51  -4.699 -11.214 -11.214
  328   1HG   PRO  51          1HG       PRO  51  -2.437 -10.943 -10.943
  329   2HG   PRO  51          2HG       PRO  51  -2.477 -10.614 -10.614
  330   1HD   PRO  51          1HD       PRO  51  -2.534  -8.681  -8.681
  331   2HD   PRO  51          2HD       PRO  51  -2.692  -8.361  -8.361
  332    H    ALA  52           H        ALA  52  -4.040  -9.378  -9.378
  333    HA   ALA  52           HA       ALA  52  -5.821 -10.955 -10.955
  334   1HB   ALA  52          3HB       ALA  52  -3.050 -10.099 -10.099
  335   2HB   ALA  52          1HB       ALA  52  -3.851  -9.650  -9.650
  336   3HB   ALA  52          2HB       ALA  52  -3.854 -11.345 -11.345
  337    H    GLU  53           H        GLU  53  -5.673  -7.804  -7.804
  338    HA   GLU  53           HA       GLU  53  -6.364  -5.828  -5.828
  339   1HB   GLU  53          1HB       GLU  53  -8.632  -7.744  -7.744
  340   2HB   GLU  53          2HB       GLU  53  -8.839  -6.033  -6.033
  341   1HG   GLU  53          1HG       GLU  53  -8.054  -5.602  -5.602
  342   2HG   GLU  53          2HG       GLU  53  -8.158  -7.331  -7.331
  343    H    ALA  54           H        ALA  54  -4.514  -6.506  -6.506
  344    HA   ALA  54           HA       ALA  54  -5.618  -6.581  -6.581
  345   1HB   ALA  54          3HB       ALA  54  -2.979  -6.748  -6.748
  346   2HB   ALA  54          1HB       ALA  54  -2.953  -5.927  -5.927
  347   3HB   ALA  54          2HB       ALA  54  -3.589  -7.584  -7.584
  348    H    ILE  55           H        ILE  55  -5.227  -4.172  -4.172
  349    HA   ILE  55           HA       ILE  55  -4.667  -2.054  -2.054
  350    HB   ILE  55           HB       ILE  55  -5.293  -1.909  -1.909
  351   1HG1  ILE  55          1HG1      ILE  55  -2.681  -1.533  -1.533
  352   2HG1  ILE  55          2HG1      ILE  55  -2.762  -2.527  -2.527
  353   1HG2  ILE  55          1HG2      ILE  55  -5.138   0.107   0.107
  354   2HG2  ILE  55          2HG2      ILE  55  -3.579   0.161   0.161
  355   3HG2  ILE  55          3HG2      ILE  55  -5.102   0.297   0.297
  356   1HD1  ILE  55          2HD1      ILE  55  -4.280  -3.441  -3.441
  357   2HD1  ILE  55          3HD1      ILE  55  -2.506  -3.581  -3.581
  358   3HD1  ILE  55          1HD1      ILE  55  -3.443  -4.403  -4.403
  359    H    VAL  56           H        VAL  56  -6.274  -1.379  -1.379
  360    HA   VAL  56           HA       VAL  56  -8.975  -1.322  -1.322
  361    HB   VAL  56           HB       VAL  56  -9.663  -1.391  -1.391
  362   1HG1  VAL  56          1HG1      VAL  56  -8.322  -3.764  -3.764
  363   2HG1  VAL  56          2HG1      VAL  56  -9.347  -3.886  -3.886
  364   3HG1  VAL  56          3HG1      VAL  56 -10.037  -3.294  -3.294
  365   1HG2  VAL  56          1HG2      VAL  56  -7.477  -0.834  -0.834
  366   2HG2  VAL  56          2HG2      VAL  56  -8.073  -2.402  -2.402
  367   3HG2  VAL  56          3HG2      VAL  56  -6.799  -2.347  -2.347
  368    H    ARG  57           H        ARG  57 -10.389   0.452   0.452
  369    HA   ARG  57           HA       ARG  57  -8.823   2.854   2.854
  370   1HB   ARG  57          1HB       ARG  57 -11.355   2.143   2.143
  371   2HB   ARG  57          2HB       ARG  57 -11.749   3.108   3.108
  372   1HG   ARG  57          1HG       ARG  57 -10.049   4.851   4.851
  373   2HG   ARG  57          2HG       ARG  57 -10.116   3.940   3.940
  374   1HD   ARG  57          1HD       ARG  57 -12.286   4.605   4.605
  375   2HD   ARG  57          2HD       ARG  57 -12.772   4.620   4.620
  376    HE   ARG  57           HE       ARG  57 -10.874   6.712   6.712
  377   1HH1  ARG  57          2HH2      ARG  57 -14.161   5.899   5.899
  378   2HH1  ARG  57          1HH2      ARG  57 -14.647   7.552   7.552
  379   1HH2  ARG  57          2HH1      ARG  57 -11.517   8.852   8.852
  380   2HH2  ARG  57          1HH1      ARG  57 -13.075   9.295   9.295
  381    H    SER  58           H        SER  58  -8.445   1.228   1.228
  382    HA   SER  58           HA       SER  58  -9.923   1.615   1.615
  383   1HB   SER  58          1HB       SER  58  -7.181   1.050   1.050
  384   2HB   SER  58          2HB       SER  58  -7.183   2.286   2.286
  385    HG   SER  58           HG       SER  58  -8.297  -0.355  -0.355

  Start of MODEL    3
    1    HA   PRO   1           HA       PRO   1  -7.427   7.120   7.120
    2   1HB   PRO   1          1HB       PRO   1  -4.697   7.015   7.015
    3   2HB   PRO   1          2HB       PRO   1  -5.594   8.452   8.452
    4   1HG   PRO   1          1HG       PRO   1  -4.134   6.565   6.565
    5   2HG   PRO   1          2HG       PRO   1  -4.663   8.198   8.198
    6   1HD   PRO   1          1HD       PRO   1  -5.885   5.767   5.767
    7   2HD   PRO   1          2HD       PRO   1  -6.478   7.396   7.396
    8    H    ILE   2           H        ILE   2  -4.614   5.153   5.153
    9    HA   ILE   2           HA       ILE   2  -6.009   2.985   2.985
   10    HB   ILE   2           HB       ILE   2  -4.254   2.695   2.695
   11   1HG1  ILE   2          1HG1      ILE   2  -2.434   3.245   3.245
   12   2HG1  ILE   2          2HG1      ILE   2  -2.156   3.786   3.786
   13   1HG2  ILE   2          2HG2      ILE   2  -5.369   5.439   5.439
   14   2HG2  ILE   2          3HG2      ILE   2  -4.054   5.203   5.203
   15   3HG2  ILE   2          1HG2      ILE   2  -5.549   4.246   4.246
   16   1HD1  ILE   2          3HD1      ILE   2  -3.509   5.925   5.925
   17   2HD1  ILE   2          1HD1      ILE   2  -2.445   5.326   5.326
   18   3HD1  ILE   2          2HD1      ILE   2  -1.753   5.822   5.822
   19    H    GLU   3           H        GLU   3  -4.920   0.854   0.854
   20    HA   GLU   3           HA       GLU   3  -3.024   0.776   0.776
   21   1HB   GLU   3          1HB       GLU   3  -5.512   0.720   0.720
   22   2HB   GLU   3          2HB       GLU   3  -5.507  -0.931  -0.931
   23   1HG   GLU   3          1HG       GLU   3  -3.748  -1.586  -1.586
   24   2HG   GLU   3          2HG       GLU   3  -3.262   0.070   0.070
   25    H    VAL   4           H        VAL   4  -1.735  -1.126  -1.126
   26    HA   VAL   4           HA       VAL   4  -2.255  -2.830  -2.830
   27    HB   VAL   4           HB       VAL   4  -0.220  -1.546  -1.546
   28   1HG1  VAL   4          2HG1      VAL   4  -0.058  -1.983  -1.983
   29   2HG1  VAL   4          3HG1      VAL   4   1.388  -2.717  -2.717
   30   3HG1  VAL   4          1HG1      VAL   4   1.013  -1.002  -1.002
   31   1HG2  VAL   4          3HG2      VAL   4  -0.079  -4.508  -4.508
   32   2HG2  VAL   4          1HG2      VAL   4   0.200  -3.515  -3.515
   33   3HG2  VAL   4          2HG2      VAL   4   1.451  -3.619  -3.619
   34    H    ASN   5           H        ASN   5  -1.983  -2.656  -2.656
   35    HA   ASN   5           HA       ASN   5  -2.325  -4.123  -4.123
   36   1HB   ASN   5          1HB       ASN   5  -3.204  -5.954  -5.954
   37   2HB   ASN   5          2HB       ASN   5  -3.376  -6.381  -6.381
   38   1HD2  ASN   5          1HD2      ASN   5  -5.580  -6.353  -6.353
   39   2HD2  ASN   5          2HD2      ASN   5  -6.606  -5.003  -5.003
   40    H    ASP   6           H        ASP   6  -1.811  -6.881  -6.881
   41    HA   ASP   6           HA       ASP   6   0.992  -6.982  -6.982
   42   1HB   ASP   6          1HB       ASP   6   0.369  -7.039  -7.039
   43   2HB   ASP   6          2HB       ASP   6  -0.488  -8.540  -8.540
   44    H    ASP   7           H        ASP   7  -2.078  -8.144  -8.144
   45    HA   ASP   7           HA       ASP   7  -1.611 -10.870 -10.870
   46   1HB   ASP   7          1HB       ASP   7  -3.627  -8.885  -8.885
   47   2HB   ASP   7          2HB       ASP   7  -3.422 -10.145 -10.145
   48    H    CYS   8           H        CYS   8  -1.143  -7.987  -7.987
   49    HA   CYS   8           HA       CYS   8  -0.724  -9.128  -9.128
   50   1HB   CYS   8          1HB       CYS   8  -0.665  -6.819  -6.819
   51   2HB   CYS   8          2HB       CYS   8   0.399  -6.698  -6.698
   52    H    MET   9           H        MET   9   1.440  -9.560  -9.560
   53    HA   MET   9           HA       MET   9   3.106 -11.080 -11.080
   54   1HB   MET   9          1HB       MET   9   2.261 -11.315 -11.315
   55   2HB   MET   9          2HB       MET   9   3.905 -11.818 -11.818
   56   1HG   MET   9          1HG       MET   9   1.995 -12.852 -12.852
   57   2HG   MET   9          2HG       MET   9   1.592 -13.370 -13.370
   58   1HE   MET   9          3HE       MET   9   3.906 -13.600 -13.600
   59   2HE   MET   9          1HE       MET   9   4.849 -15.060 -15.060
   60   3HE   MET   9          2HE       MET   9   3.080 -15.161 -15.161
   61    H    ALA  10           H        ALA  10   3.765  -9.589  -9.589
   62    HA   ALA  10           HA       ALA  10   5.277  -7.467  -7.467
   63   1HB   ALA  10          2HB       ALA  10   6.583  -9.918  -9.918
   64   2HB   ALA  10          3HB       ALA  10   7.528  -9.139  -9.139
   65   3HB   ALA  10          1HB       ALA  10   7.148  -8.242  -8.242
   66    H    CYS  11           H        CYS  11   3.521  -8.283  -8.283
   67    HA   CYS  11           HA       CYS  11   4.894  -9.113  -9.113
   68   1HB   CYS  11          1HB       CYS  11   2.214  -8.088  -8.088
   69   2HB   CYS  11          2HB       CYS  11   2.744  -7.715  -7.715
   70    H    GLU  12           H        GLU  12   4.184  -5.947  -5.947
   71    HA   GLU  12           HA       GLU  12   4.892  -3.928  -3.928
   72   1HB   GLU  12          1HB       GLU  12   7.156  -5.610  -5.610
   73   2HB   GLU  12          2HB       GLU  12   7.210  -4.328  -4.328
   74   1HG   GLU  12          1HG       GLU  12   6.708  -2.729  -2.729
   75   2HG   GLU  12          2HG       GLU  12   7.217  -4.085  -4.085
   76    H    ALA  13           H        ALA  13   3.254  -5.506  -5.506
   77    HA   ALA  13           HA       ALA  13   3.944  -4.450  -4.450
   78   1HB   ALA  13          3HB       ALA  13   1.772  -6.015  -6.015
   79   2HB   ALA  13          1HB       ALA  13   1.243  -4.996  -4.996
   80   3HB   ALA  13          2HB       ALA  13   2.539  -6.193  -6.193
   81    H    CYS  14           H        CYS  14   1.600  -3.451  -3.451
   82    HA   CYS  14           HA       CYS  14   0.552  -1.299  -1.299
   83   1HB   CYS  14          1HB       CYS  14   0.766  -1.140  -1.140
   84   2HB   CYS  14          2HB       CYS  14  -0.589  -0.777  -0.777
   85    H    VAL  15           H        VAL  15   3.532  -1.798  -1.798
   86    HA   VAL  15           HA       VAL  15   4.135   0.985   0.985
   87    HB   VAL  15           HB       VAL  15   5.711  -1.553  -1.553
   88   1HG1  VAL  15          3HG1      VAL  15   6.983   0.683   0.683
   89   2HG1  VAL  15          1HG1      VAL  15   6.646   1.090   1.090
   90   3HG1  VAL  15          2HG1      VAL  15   7.573  -0.377  -0.377
   91   1HG2  VAL  15          3HG2      VAL  15   3.700  -0.744  -0.744
   92   2HG2  VAL  15          1HG2      VAL  15   5.194  -1.369  -1.369
   93   3HG2  VAL  15          2HG2      VAL  15   4.914   0.386   0.386
   94    H    GLU  16           H        GLU  16   4.651  -1.623  -1.623
   95    HA   GLU  16           HA       GLU  16   6.702  -0.203  -0.203
   96   1HB   GLU  16          1HB       GLU  16   5.360  -2.823  -2.823
   97   2HB   GLU  16          2HB       GLU  16   5.705  -2.130  -2.130
   98   1HG   GLU  16          1HG       GLU  16   7.720  -3.229  -3.229
   99   2HG   GLU  16          2HG       GLU  16   8.095  -1.630  -1.630
  100    H    ILE  17           H        ILE  17   3.683   0.748   0.748
  101    HA   ILE  17           HA       ILE  17   3.444   1.789   1.789
  102    HB   ILE  17           HB       ILE  17   1.911  -0.103  -0.103
  103   1HG1  ILE  17          1HG1      ILE  17   1.404   1.993   1.993
  104   2HG1  ILE  17          2HG1      ILE  17   0.019   0.961   0.961
  105   1HG2  ILE  17          2HG2      ILE  17   0.894   1.443   1.443
  106   2HG2  ILE  17          3HG2      ILE  17  -0.095   0.231   0.231
  107   3HG2  ILE  17          1HG2      ILE  17   1.440  -0.249  -0.249
  108   1HD1  ILE  17          1HD1      ILE  17   0.428   2.870   2.870
  109   2HD1  ILE  17          2HD1      ILE  17   0.460   3.744   3.744
  110   3HD1  ILE  17          3HD1      ILE  17  -0.949   2.745   2.745
  111    H    CYS  18           H        CYS  18   2.578   2.004   2.004
  112    HA   CYS  18           HA       CYS  18   2.528   4.909   4.909
  113   1HB   CYS  18          1HB       CYS  18   0.299   3.578   3.578
  114   2HB   CYS  18          2HB       CYS  18   0.926   3.645   3.645
  115    HA   PRO  19           HA       PRO  19   5.715   3.646   3.646
  116   1HB   PRO  19          1HB       PRO  19   7.809   5.021   5.021
  117   2HB   PRO  19          2HB       PRO  19   7.473   3.340   3.340
  118   1HG   PRO  19          1HG       PRO  19   6.997   5.728   5.728
  119   2HG   PRO  19          2HG       PRO  19   7.072   4.045   4.045
  120   1HD   PRO  19          1HD       PRO  19   4.707   5.634   5.634
  121   2HD   PRO  19          2HD       PRO  19   4.777   3.923   3.923
  122    H    ASP  20           H        ASP  20   3.967   6.262   6.262
  123    HA   ASP  20           HA       ASP  20   5.439   7.938   7.938
  124   1HB   ASP  20          1HB       ASP  20   4.429   8.685   8.685
  125   2HB   ASP  20          2HB       ASP  20   2.896   8.709   8.709
  126    H    VAL  21           H        VAL  21   2.872   5.663   5.663
  127    HA   VAL  21           HA       VAL  21   1.554   6.843   6.843
  128    HB   VAL  21           HB       VAL  21   0.537   5.020   5.020
  129   1HG1  VAL  21          2HG1      VAL  21  -0.225   4.467   4.467
  130   2HG1  VAL  21          3HG1      VAL  21  -1.141   5.990   5.990
  131   3HG1  VAL  21          1HG1      VAL  21  -1.470   4.678   4.678
  132   1HG2  VAL  21          3HG2      VAL  21  -0.219   7.827   7.827
  133   2HG2  VAL  21          1HG2      VAL  21   0.564   7.346   7.346
  134   3HG2  VAL  21          2HG2      VAL  21  -1.117   6.863   6.863
  135    H    PHE  22           H        PHE  22   3.357   4.141   4.141
  136    HA   PHE  22           HA       PHE  22   3.359   2.935   2.935
  137   1HB   PHE  22          1HB       PHE  22   3.172   1.383   1.383
  138   2HB   PHE  22          2HB       PHE  22   2.969   0.729   0.729
  139    HD1  PHE  22          2HD       PHE  22   0.970   1.775   1.775
  140    HD2  PHE  22          1HD       PHE  22   1.285   1.869   1.869
  141    HE1  PHE  22          2HE       PHE  22  -1.512   2.109   2.109
  142    HE2  PHE  22          1HE       PHE  22  -1.197   2.202   2.202
  143    HZ   PHE  22           HZ       PHE  22  -2.565   2.318   2.318
  144    H    GLU  23           H        GLU  23   5.377   2.256   2.256
  145    HA   GLU  23           HA       GLU  23   7.370   1.897   1.897
  146   1HB   GLU  23          1HB       GLU  23   7.949   4.105   4.105
  147   2HB   GLU  23          2HB       GLU  23   7.407   4.006   4.006
  148   1HG   GLU  23          1HG       GLU  23   9.363   2.796   2.796
  149   2HG   GLU  23          2HG       GLU  23   9.797   2.389   2.389
  150    H    MET  24           H        MET  24   8.879   0.280   0.280
  151    HA   MET  24           HA       MET  24   8.258  -1.686  -1.686
  152   1HB   MET  24          1HB       MET  24  11.151  -0.766  -0.766
  153   2HB   MET  24          2HB       MET  24  10.587  -2.415  -2.415
  154   1HG   MET  24          1HG       MET  24  10.545  -2.500  -2.500
  155   2HG   MET  24          2HG       MET  24   9.103  -1.508  -1.508
  156   1HE   MET  24          3HE       MET  24  12.421  -2.051  -2.051
  157   2HE   MET  24          1HE       MET  24  11.565  -1.394  -1.394
  158   3HE   MET  24          2HE       MET  24  12.977  -0.537  -0.537
  159    H    ASN  25           H        ASN  25   9.046  -2.465  -2.465
  160    HA   ASN  25           HA       ASN  25   9.218  -0.254  -0.254
  161   1HB   ASN  25          1HB       ASN  25   8.617  -1.838  -1.838
  162   2HB   ASN  25          2HB       ASN  25   7.704  -2.346  -2.346
  163   1HD2  ASN  25          1HD2      ASN  25   8.305  -4.012  -4.012
  164   2HD2  ASN  25          2HD2      ASN  25   9.360  -5.286  -5.286
  165    H    GLU  26           H        GLU  26  10.582  -2.087  -2.087
  166    HA   GLU  26           HA       GLU  26  13.095  -1.210  -1.210
  167   1HB   GLU  26          1HB       GLU  26  11.712  -2.860  -2.860
  168   2HB   GLU  26          2HB       GLU  26  12.832  -4.016  -4.016
  169   1HG   GLU  26          1HG       GLU  26  14.676  -2.215  -2.215
  170   2HG   GLU  26          2HG       GLU  26  13.471  -1.483  -1.483
  171    H    GLU  27           H        GLU  27  11.701  -4.021  -4.021
  172    HA   GLU  27           HA       GLU  27  13.962  -3.984  -3.984
  173   1HB   GLU  27          1HB       GLU  27  13.325  -6.699  -6.699
  174   2HB   GLU  27          2HB       GLU  27  14.802  -6.140  -6.140
  175   1HG   GLU  27          1HG       GLU  27  15.342  -4.748  -4.748
  176   2HG   GLU  27          2HG       GLU  27  13.807  -5.144  -5.144
  177    H    GLY  28           H        GLY  28  11.084  -3.373  -3.373
  178   1HA   GLY  28          1HA       GLY  28   9.431  -3.646  -3.646
  179   2HA   GLY  28          2HA       GLY  28  10.449  -4.771  -4.771
  180    H    ASP  29           H        ASP  29  10.172  -5.635  -5.635
  181    HA   ASP  29           HA       ASP  29   9.003  -8.044  -8.044
  182   1HB   ASP  29          1HB       ASP  29  10.113  -6.794  -6.794
  183   2HB   ASP  29          2HB       ASP  29   8.434  -6.912  -6.912
  184    H    LYS  30           H        LYS  30   7.631  -4.858  -4.858
  185    HA   LYS  30           HA       LYS  30   5.032  -5.803  -5.803
  186   1HB   LYS  30          1HB       LYS  30   3.863  -5.051  -5.051
  187   2HB   LYS  30          2HB       LYS  30   5.015  -6.307  -6.307
  188   1HG   LYS  30          1HG       LYS  30   6.674  -4.444  -4.444
  189   2HG   LYS  30          2HG       LYS  30   5.358  -3.303  -3.303
  190   1HD   LYS  30          1HD       LYS  30   4.074  -4.344  -4.344
  191   2HD   LYS  30          2HD       LYS  30   5.165  -5.714  -5.714
  192   1HE   LYS  30          1HE       LYS  30   6.936  -4.408  -4.408
  193   2HE   LYS  30          2HE       LYS  30   6.142  -2.877  -2.877
  194   1HZ   LYS  30          1HZ       LYS  30   5.275  -4.843  -4.843
  195   2HZ   LYS  30          2HZ       LYS  30   5.798  -3.325  -3.325
  196    H    ALA  31           H        ALA  31   4.647  -4.405  -4.405
  197    HA   ALA  31           HA       ALA  31   5.863  -1.998  -1.998
  198   1HB   ALA  31          1HB       ALA  31   3.263  -3.236  -3.236
  199   2HB   ALA  31          2HB       ALA  31   3.611  -1.545  -1.545
  200   3HB   ALA  31          3HB       ALA  31   4.711  -2.844  -2.844
  201    H    VAL  32           H        VAL  32   6.040  -0.421  -0.421
  202    HA   VAL  32           HA       VAL  32   3.888   0.089   0.089
  203    HB   VAL  32           HB       VAL  32   6.459   1.591   1.591
  204   1HG1  VAL  32          1HG1      VAL  32   4.413   1.744   1.744
  205   2HG1  VAL  32          2HG1      VAL  32   6.087   2.315   2.315
  206   3HG1  VAL  32          3HG1      VAL  32   5.036   3.055   3.055
  207   1HG2  VAL  32          2HG2      VAL  32   5.807  -0.823  -0.823
  208   2HG2  VAL  32          3HG2      VAL  32   7.243  -0.474  -0.474
  209   3HG2  VAL  32          1HG2      VAL  32   7.034   0.327   0.327
  210    H    VAL  33           H        VAL  33   3.181   2.508   2.508
  211    HA   VAL  33           HA       VAL  33   2.394   3.434   3.434
  212    HB   VAL  33           HB       VAL  33   1.145   3.906   3.906
  213   1HG1  VAL  33          1HG1      VAL  33   0.935   5.616   5.616
  214   2HG1  VAL  33          2HG1      VAL  33  -0.307   4.447   4.447
  215   3HG1  VAL  33          3HG1      VAL  33  -0.434   5.247   5.247
  216   1HG2  VAL  33          2HG2      VAL  33   1.034   1.546   1.546
  217   2HG2  VAL  33          3HG2      VAL  33  -0.507   2.316   2.316
  218   3HG2  VAL  33          1HG2      VAL  33  -0.008   2.258   2.258
  219    H    ILE  34           H        ILE  34   2.721   5.596   5.596
  220    HA   ILE  34           HA       ILE  34   4.391   7.127   7.127
  221    HB   ILE  34           HB       ILE  34   4.881   7.971   7.971
  222   1HG1  ILE  34          1HG1      ILE  34   5.241   4.974   4.974
  223   2HG1  ILE  34          2HG1      ILE  34   3.940   5.752   5.752
  224   1HG2  ILE  34          2HG2      ILE  34   6.358   6.827   6.827
  225   2HG2  ILE  34          3HG2      ILE  34   7.141   6.669   6.669
  226   3HG2  ILE  34          1HG2      ILE  34   6.684   8.277   8.277
  227   1HD1  ILE  34          3HD1      ILE  34   5.805   6.994   6.994
  228   2HD1  ILE  34          1HD1      ILE  34   6.950   5.900   5.900
  229   3HD1  ILE  34          2HD1      ILE  34   5.714   5.240   5.240
  230    H    ASN  35           H        ASN  35   1.679   7.015   7.015
  231    HA   ASN  35           HA       ASN  35   1.161   9.803   9.803
  232   1HB   ASN  35          1HB       ASN  35   1.463   9.025   9.025
  233   2HB   ASN  35          2HB       ASN  35  -0.120   8.293   8.293
  234   1HD2  ASN  35          1HD2      ASN  35   0.706  10.448  10.448
  235   2HD2  ASN  35          2HD2      ASN  35  -0.258  11.837  11.837
  236    HA   PRO  36           HA       PRO  36  -2.080   7.309   7.309
  237   1HB   PRO  36          1HB       PRO  36  -2.145   8.655   8.655
  238   2HB   PRO  36          2HB       PRO  36  -1.153   7.237   7.237
  239   1HG   PRO  36          1HG       PRO  36  -0.331  10.073  10.073
  240   2HG   PRO  36          2HG       PRO  36   0.657   8.634   8.634
  241   1HD   PRO  36          1HD       PRO  36   0.479  10.350  10.350
  242   2HD   PRO  36          2HD       PRO  36   1.376   8.850   8.850
  243    H    ASP  37           H        ASP  37  -2.419   9.308   9.308
  244    HA   ASP  37           HA       ASP  37  -5.055   9.903   9.903
  245   1HB   ASP  37          1HB       ASP  37  -4.215  11.545  11.545
  246   2HB   ASP  37          2HB       ASP  37  -3.117  12.219  12.219
  247    H    SER  38           H        SER  38  -3.419   8.836   8.836
  248    HA   SER  38           HA       SER  38  -2.985  10.923  10.923
  249   1HB   SER  38          1HB       SER  38  -1.868   8.433   8.433
  250   2HB   SER  38          2HB       SER  38  -2.946   8.096   8.096
  251    HG   SER  38           HG       SER  38  -1.270  10.419  10.419
  252    H    ASP  39           H        ASP  39  -4.710   7.750   7.750
  253    HA   ASP  39           HA       ASP  39  -6.411   7.239   7.239
  254   1HB   ASP  39          1HB       ASP  39  -7.290   8.529   8.529
  255   2HB   ASP  39          2HB       ASP  39  -7.983   9.592   9.592
  256    H    LEU  40           H        LEU  40  -4.647   8.777   8.777
  257    HA   LEU  40           HA       LEU  40  -6.382  10.703  10.703
  258   1HB   LEU  40          1HB       LEU  40  -4.384  11.772  11.772
  259   2HB   LEU  40          2HB       LEU  40  -4.369  11.668  11.668
  260    HG   LEU  40           HG       LEU  40  -2.994   9.388   9.388
  261   1HD1  LEU  40          2HD1      LEU  40  -3.042  10.968  10.968
  262   2HD1  LEU  40          3HD1      LEU  40  -1.420  11.180  11.180
  263   3HD1  LEU  40          1HD1      LEU  40  -2.025   9.547   9.547
  264   1HD2  LEU  40          3HD2      LEU  40  -2.482  11.066  11.066
  265   2HD2  LEU  40          1HD2      LEU  40  -1.061  10.481  10.481
  266   3HD2  LEU  40          2HD2      LEU  40  -1.736  12.089  12.089
  267    H    ASP  41           H        ASP  41  -6.939   8.012   8.012
  268    HA   ASP  41           HA       ASP  41  -7.427   6.797   6.797
  269   1HB   ASP  41          1HB       ASP  41  -6.844   8.962   8.962
  270   2HB   ASP  41          2HB       ASP  41  -5.307   8.180   8.180
  271    H    CYS  42           H        CYS  42  -3.916   7.765   7.765
  272    HA   CYS  42           HA       CYS  42  -2.721   5.577   5.577
  273   1HB   CYS  42          1HB       CYS  42  -1.631   7.652   7.652
  274   2HB   CYS  42          2HB       CYS  42  -1.808   7.022   7.022
  275    H    VAL  43           H        VAL  43  -4.511   5.942   5.942
  276    HA   VAL  43           HA       VAL  43  -3.551   3.494   3.494
  277    HB   VAL  43           HB       VAL  43  -5.545   5.606   5.606
  278   1HG1  VAL  43          2HG1      VAL  43  -6.805   3.524   3.524
  279   2HG1  VAL  43          3HG1      VAL  43  -5.479   2.884   2.884
  280   3HG1  VAL  43          1HG1      VAL  43  -6.403   4.304   4.304
  281   1HG2  VAL  43          3HG2      VAL  43  -3.035   4.450   4.450
  282   2HG2  VAL  43          1HG2      VAL  43  -3.553   6.147   6.147
  283   3HG2  VAL  43          2HG2      VAL  43  -4.228   5.120   5.120
  284    H    GLU  44           H        GLU  44  -6.535   4.621   4.621
  285    HA   GLU  44           HA       GLU  44  -7.936   2.276   2.276
  286   1HB   GLU  44          1HB       GLU  44  -8.015   4.682   4.682
  287   2HB   GLU  44          2HB       GLU  44  -8.742   3.261   3.261
  288   1HG   GLU  44          1HG       GLU  44 -10.043   2.954   2.954
  289   2HG   GLU  44          2HG       GLU  44  -9.464   4.539   4.539
  290    H    GLU  45           H        GLU  45  -5.282   3.201   3.201
  291    HA   GLU  45           HA       GLU  45  -5.701   0.839   0.839
  292   1HB   GLU  45          1HB       GLU  45  -3.685   1.715   1.715
  293   2HB   GLU  45          2HB       GLU  45  -5.059   2.802   2.802
  294   1HG   GLU  45          1HG       GLU  45  -4.049   4.174   4.174
  295   2HG   GLU  45          2HG       GLU  45  -2.790   2.992   2.992
  296    H    ALA  46           H        ALA  46  -4.353   1.520   1.520
  297    HA   ALA  46           HA       ALA  46  -2.132  -0.354  -0.354
  298   1HB   ALA  46          2HB       ALA  46  -2.669   2.010   2.010
  299   2HB   ALA  46          3HB       ALA  46  -2.098   0.629   0.629
  300   3HB   ALA  46          1HB       ALA  46  -1.121   1.226   1.226
  301    H    ILE  47           H        ILE  47  -5.419  -0.116  -0.116
  302    HA   ILE  47           HA       ILE  47  -5.112  -2.415  -2.415
  303    HB   ILE  47           HB       ILE  47  -7.205  -0.305  -0.305
  304   1HG1  ILE  47          1HG1      ILE  47  -6.370  -1.261  -1.261
  305   2HG1  ILE  47          2HG1      ILE  47  -5.105  -0.473  -0.473
  306   1HG2  ILE  47          3HG2      ILE  47  -7.610  -3.102  -3.102
  307   2HG2  ILE  47          1HG2      ILE  47  -8.472  -1.763  -1.763
  308   3HG2  ILE  47          2HG2      ILE  47  -8.692  -2.052  -2.052
  309   1HD1  ILE  47          1HD1      ILE  47  -6.627   1.474   1.474
  310   2HD1  ILE  47          2HD1      ILE  47  -7.867   0.652   0.652
  311   3HD1  ILE  47          3HD1      ILE  47  -6.330   1.151   1.151
  312    H    ASP  48           H        ASP  48  -6.541  -1.295  -1.295
  313    HA   ASP  48           HA       ASP  48  -8.124  -3.529  -3.529
  314   1HB   ASP  48          1HB       ASP  48  -7.557  -1.138  -1.138
  315   2HB   ASP  48          2HB       ASP  48  -6.885  -2.334  -2.334
  316    H    SER  49           H        SER  49  -4.674  -2.990  -2.990
  317    HA   SER  49           HA       SER  49  -4.265  -5.296  -5.296
  318   1HB   SER  49          1HB       SER  49  -2.285  -3.257  -3.257
  319   2HB   SER  49          2HB       SER  49  -1.858  -4.579  -4.579
  320    HG   SER  49           HG       SER  49  -3.790  -3.461  -3.461
  321    H    CYS  50           H        CYS  50  -4.863  -4.667  -4.667
  322    HA   CYS  50           HA       CYS  50  -2.803  -6.375  -6.375
  323   1HB   CYS  50          1HB       CYS  50  -3.457  -4.396  -4.396
  324   2HB   CYS  50          2HB       CYS  50  -5.123  -4.936  -4.936
  325    HA   PRO  51           HA       PRO  51  -5.579  -9.739  -9.739
  326   1HB   PRO  51          1HB       PRO  51  -3.783 -11.750 -11.750
  327   2HB   PRO  51          2HB       PRO  51  -3.988 -10.976 -10.976
  328   1HG   PRO  51          1HG       PRO  51  -1.805 -10.639 -10.639
  329   2HG   PRO  51          2HG       PRO  51  -1.824 -10.222 -10.222
  330   1HD   PRO  51          1HD       PRO  51  -2.085  -8.415  -8.415
  331   2HD   PRO  51          2HD       PRO  51  -2.220  -8.016  -8.016
  332    H    ALA  52           H        ALA  52  -3.563  -9.324  -9.324
  333    HA   ALA  52           HA       ALA  52  -5.222 -11.136 -11.136
  334   1HB   ALA  52          2HB       ALA  52  -2.653 -10.772 -10.772
  335   2HB   ALA  52          3HB       ALA  52  -3.074  -9.299  -9.299
  336   3HB   ALA  52          1HB       ALA  52  -3.591 -10.893 -10.893
  337    H    GLU  53           H        GLU  53  -5.471  -7.967  -7.967
  338    HA   GLU  53           HA       GLU  53  -6.435  -6.122  -6.122
  339   1HB   GLU  53          1HB       GLU  53  -8.287  -7.717  -7.717
  340   2HB   GLU  53          2HB       GLU  53  -8.573  -8.069  -8.069
  341   1HG   GLU  53          1HG       GLU  53  -9.603  -6.054  -6.054
  342   2HG   GLU  53          2HG       GLU  53  -8.452  -5.164  -5.164
  343    H    ALA  54           H        ALA  54  -4.529  -7.003  -7.003
  344    HA   ALA  54           HA       ALA  54  -5.738  -6.998  -6.998
  345   1HB   ALA  54          2HB       ALA  54  -3.200  -7.585  -7.585
  346   2HB   ALA  54          3HB       ALA  54  -2.943  -6.352  -6.352
  347   3HB   ALA  54          1HB       ALA  54  -3.735  -7.891  -7.891
  348    H    ILE  55           H        ILE  55  -5.181  -4.617  -4.617
  349    HA   ILE  55           HA       ILE  55  -4.564  -2.515  -2.515
  350    HB   ILE  55           HB       ILE  55  -4.992  -2.612  -2.612
  351   1HG1  ILE  55          1HG1      ILE  55  -2.676  -2.732  -2.732
  352   2HG1  ILE  55          2HG1      ILE  55  -2.854  -3.283  -3.283
  353   1HG2  ILE  55          1HG2      ILE  55  -5.909  -0.504  -0.504
  354   2HG2  ILE  55          2HG2      ILE  55  -4.384  -0.177  -0.177
  355   3HG2  ILE  55          3HG2      ILE  55  -4.409  -0.243  -0.243
  356   1HD1  ILE  55          1HD1      ILE  55  -2.462  -0.396  -0.396
  357   2HD1  ILE  55          2HD1      ILE  55  -1.189  -1.446  -1.446
  358   3HD1  ILE  55          3HD1      ILE  55  -2.560  -0.952  -0.952
  359    H    VAL  56           H        VAL  56  -6.076  -1.481  -1.481
  360    HA   VAL  56           HA       VAL  56  -8.772  -1.332  -1.332
  361    HB   VAL  56           HB       VAL  56  -9.328  -1.414  -1.414
  362   1HG1  VAL  56          2HG1      VAL  56  -9.229  -3.447  -3.447
  363   2HG1  VAL  56          3HG1      VAL  56  -9.433  -4.074  -4.074
  364   3HG1  VAL  56          1HG1      VAL  56 -10.593  -2.895  -2.895
  365   1HG2  VAL  56          1HG2      VAL  56  -6.755  -1.861  -1.861
  366   2HG2  VAL  56          2HG2      VAL  56  -7.954  -2.745  -2.745
  367   3HG2  VAL  56          3HG2      VAL  56  -7.198  -3.530  -3.530
  368    H    ARG  57           H        ARG  57 -10.072   0.493   0.493
  369    HA   ARG  57           HA       ARG  57  -8.268   2.724   2.724
  370   1HB   ARG  57          1HB       ARG  57 -10.424   4.077   4.077
  371   2HB   ARG  57          2HB       ARG  57  -9.962   3.073   3.073
  372   1HG   ARG  57          1HG       ARG  57 -11.762   1.654   1.654
  373   2HG   ARG  57          2HG       ARG  57 -11.697   1.709   1.709
  374   1HD   ARG  57          1HD       ARG  57 -13.618   2.960   2.960
  375   2HD   ARG  57          2HD       ARG  57 -12.478   4.275   4.275
  376    HE   ARG  57           HE       ARG  57 -13.000   4.355   4.355
  377   1HH1  ARG  57          2HH2      ARG  57 -14.319   1.381   1.381
  378   2HH1  ARG  57          1HH2      ARG  57 -15.242   0.977   0.977
  379   1HH2  ARG  57          2HH1      ARG  57 -14.201   3.821   3.821
  380   2HH2  ARG  57          1HH1      ARG  57 -15.167   2.428   2.428
  381    H    SER  58           H        SER  58  -8.169   1.210   1.210
  382    HA   SER  58           HA       SER  58  -9.994   1.307   1.307
  383   1HB   SER  58          1HB       SER  58  -7.480   0.564   0.564
  384   2HB   SER  58          2HB       SER  58  -7.162   2.177   2.177
  385    HG   SER  58           HG       SER  58  -9.211   0.590   0.590

  Start of MODEL    4
    1    HA   PRO   1           HA       PRO   1  -7.345   4.109   4.109
    2   1HB   PRO   1          1HB       PRO   1  -6.399   6.253   6.253
    3   2HB   PRO   1          2HB       PRO   1  -7.260   6.408   6.408
    4   1HG   PRO   1          1HG       PRO   1  -4.368   6.705   6.705
    5   2HG   PRO   1          2HG       PRO   1  -5.295   7.259   7.259
    6   1HD   PRO   1          1HD       PRO   1  -3.561   4.976   4.976
    7   2HD   PRO   1          2HD       PRO   1  -4.578   5.464   5.464
    8    H    ILE   2           H        ILE   2  -4.942   5.345   5.345
    9    HA   ILE   2           HA       ILE   2  -5.614   3.244   3.244
   10    HB   ILE   2           HB       ILE   2  -4.070   5.802   5.802
   11   1HG1  ILE   2          1HG1      ILE   2  -5.649   5.852   5.852
   12   2HG1  ILE   2          2HG1      ILE   2  -6.567   4.671   4.671
   13   1HG2  ILE   2          3HG2      ILE   2  -3.618   3.420   3.420
   14   2HG2  ILE   2          1HG2      ILE   2  -3.779   4.989   4.989
   15   3HG2  ILE   2          2HG2      ILE   2  -2.531   4.766   4.766
   16   1HD1  ILE   2          3HD1      ILE   2  -5.615   7.078   7.078
   17   2HD1  ILE   2          1HD1      ILE   2  -6.813   7.395   7.395
   18   3HD1  ILE   2          2HD1      ILE   2  -7.199   6.268   6.268
   19    H    GLU   3           H        GLU   3  -4.801   1.503   1.503
   20    HA   GLU   3           HA       GLU   3  -1.973   1.136   1.136
   21   1HB   GLU   3          1HB       GLU   3  -3.188   0.330   0.330
   22   2HB   GLU   3          2HB       GLU   3  -1.492   0.383   0.383
   23   1HG   GLU   3          1HG       GLU   3  -2.017   2.969   2.969
   24   2HG   GLU   3          2HG       GLU   3  -3.363   2.673   2.673
   25    H    VAL   4           H        VAL   4  -1.961  -1.425  -1.425
   26    HA   VAL   4           HA       VAL   4  -3.851  -2.966  -2.966
   27    HB   VAL   4           HB       VAL   4  -1.868  -4.684  -4.684
   28   1HG1  VAL   4          3HG1      VAL   4  -2.423  -2.408  -2.408
   29   2HG1  VAL   4          1HG1      VAL   4  -0.951  -3.371  -3.371
   30   3HG1  VAL   4          2HG1      VAL   4  -2.545  -4.164  -4.164
   31   1HG2  VAL   4          3HG2      VAL   4  -0.553  -2.877  -2.877
   32   2HG2  VAL   4          1HG2      VAL   4   0.286  -3.887  -3.887
   33   3HG2  VAL   4          2HG2      VAL   4  -0.173  -2.217  -2.217
   34    H    ASN   5           H        ASN   5  -1.487  -4.620  -4.620
   35    HA   ASN   5           HA       ASN   5  -2.696  -4.468  -4.468
   36   1HB   ASN   5          1HB       ASN   5  -3.594  -7.049  -7.049
   37   2HB   ASN   5          2HB       ASN   5  -4.638  -5.649  -5.649
   38   1HD2  ASN   5          1HD2      ASN   5  -5.996  -6.866  -6.866
   39   2HD2  ASN   5          2HD2      ASN   5  -5.643  -7.109  -7.109
   40    H    ASP   6           H        ASP   6  -2.272  -7.061  -7.061
   41    HA   ASP   6           HA       ASP   6   0.550  -7.334  -7.334
   42   1HB   ASP   6          1HB       ASP   6  -0.216  -7.206  -7.206
   43   2HB   ASP   6          2HB       ASP   6  -1.323  -8.541  -8.541
   44    H    ASP   7           H        ASP   7  -2.192  -8.469  -8.469
   45    HA   ASP   7           HA       ASP   7  -1.508 -11.259 -11.259
   46   1HB   ASP   7          1HB       ASP   7  -3.870  -9.734  -9.734
   47   2HB   ASP   7          2HB       ASP   7  -3.518 -10.445 -10.445
   48    H    CYS   8           H        CYS   8  -1.611  -8.374  -8.374
   49    HA   CYS   8           HA       CYS   8  -1.127  -9.452  -9.452
   50   1HB   CYS   8          1HB       CYS   8  -1.199  -7.239  -7.239
   51   2HB   CYS   8          2HB       CYS   8  -0.638  -6.873  -6.873
   52    H    MET   9           H        MET   9   1.020  -9.589  -9.589
   53    HA   MET   9           HA       MET   9   2.987 -10.812 -10.812
   54   1HB   MET   9          1HB       MET   9   2.119 -12.366 -12.366
   55   2HB   MET   9          2HB       MET   9   2.275 -11.179 -11.179
   56   1HG   MET   9          1HG       MET   9   4.875 -11.504 -11.504
   57   2HG   MET   9          2HG       MET   9   4.231 -13.103 -13.103
   58   1HE   MET   9          2HE       MET   9   2.804 -13.504 -13.504
   59   2HE   MET   9          3HE       MET   9   2.509 -12.305 -12.305
   60   3HE   MET   9          1HE       MET   9   3.729 -13.579 -13.579
   61    H    ALA  10           H        ALA  10   3.411  -9.675  -9.675
   62    HA   ALA  10           HA       ALA  10   4.499  -7.234  -7.234
   63   1HB   ALA  10          1HB       ALA  10   6.282  -9.347  -9.347
   64   2HB   ALA  10          2HB       ALA  10   7.057  -8.232  -8.232
   65   3HB   ALA  10          3HB       ALA  10   6.270  -7.594  -7.594
   66    H    CYS  11           H        CYS  11   3.091  -8.047  -8.047
   67    HA   CYS  11           HA       CYS  11   4.523  -9.415  -9.415
   68   1HB   CYS  11          1HB       CYS  11   1.942  -9.061  -9.061
   69   2HB   CYS  11          2HB       CYS  11   2.191  -7.638  -7.638
   70    H    GLU  12           H        GLU  12   4.138  -6.054  -6.054
   71    HA   GLU  12           HA       GLU  12   5.247  -4.248  -4.248
   72   1HB   GLU  12          1HB       GLU  12   7.242  -5.767  -5.767
   73   2HB   GLU  12          2HB       GLU  12   6.848  -5.864  -5.864
   74   1HG   GLU  12          1HG       GLU  12   7.869  -3.881  -3.881
   75   2HG   GLU  12          2HG       GLU  12   6.861  -3.073  -3.073
   76    H    ALA  13           H        ALA  13   2.992  -5.682  -5.682
   77    HA   ALA  13           HA       ALA  13   3.225  -4.484  -4.484
   78   1HB   ALA  13          1HB       ALA  13   1.472  -6.281  -6.281
   79   2HB   ALA  13          2HB       ALA  13   0.503  -5.023  -5.023
   80   3HB   ALA  13          3HB       ALA  13   1.625  -6.026  -6.026
   81    H    CYS  14           H        CYS  14   1.388  -3.684  -3.684
   82    HA   CYS  14           HA       CYS  14   0.104  -1.457  -1.457
   83   1HB   CYS  14          1HB       CYS  14  -0.043  -0.745  -0.745
   84   2HB   CYS  14          2HB       CYS  14  -0.565  -2.392  -2.392
   85    H    VAL  15           H        VAL  15   3.388  -1.910  -1.910
   86    HA   VAL  15           HA       VAL  15   4.012   0.859   0.859
   87    HB   VAL  15           HB       VAL  15   5.625  -1.675  -1.675
   88   1HG1  VAL  15          1HG1      VAL  15   6.966   0.190   0.190
   89   2HG1  VAL  15          2HG1      VAL  15   6.657   1.145   1.145
   90   3HG1  VAL  15          3HG1      VAL  15   7.569  -0.379  -0.379
   91   1HG2  VAL  15          1HG2      VAL  15   4.209   0.155   0.155
   92   2HG2  VAL  15          2HG2      VAL  15   4.676  -1.549  -1.549
   93   3HG2  VAL  15          3HG2      VAL  15   5.865  -0.258  -0.258
   94    H    GLU  16           H        GLU  16   4.171  -1.822  -1.822
   95    HA   GLU  16           HA       GLU  16   5.883  -0.324  -0.324
   96   1HB   GLU  16          1HB       GLU  16   4.593  -3.056  -3.056
   97   2HB   GLU  16          2HB       GLU  16   5.214  -2.372  -2.372
   98   1HG   GLU  16          1HG       GLU  16   7.085  -2.107  -2.107
   99   2HG   GLU  16          2HG       GLU  16   6.719  -3.771  -3.771
  100    H    ILE  17           H        ILE  17   3.569   1.153   1.153
  101    HA   ILE  17           HA       ILE  17   2.612   1.728   1.728
  102    HB   ILE  17           HB       ILE  17   1.352  -0.448  -0.448
  103   1HG1  ILE  17          1HG1      ILE  17   1.013   0.455   0.455
  104   2HG1  ILE  17          2HG1      ILE  17  -0.589   0.279   0.279
  105   1HG2  ILE  17          2HG2      ILE  17   0.586   0.776   0.776
  106   2HG2  ILE  17          3HG2      ILE  17  -0.472   1.740   1.740
  107   3HG2  ILE  17          1HG2      ILE  17  -0.691  -0.023  -0.023
  108   1HD1  ILE  17          3HD1      ILE  17  -0.035   2.816   2.816
  109   2HD1  ILE  17          1HD1      ILE  17   0.977   2.736   2.736
  110   3HD1  ILE  17          2HD1      ILE  17  -0.772   2.431   2.431
  111    H    CYS  18           H        CYS  18   2.143   1.862   1.862
  112    HA   CYS  18           HA       CYS  18   1.770   4.743   4.743
  113   1HB   CYS  18          1HB       CYS  18  -0.351   3.269   3.269
  114   2HB   CYS  18          2HB       CYS  18   0.319   3.318   3.318
  115    HA   PRO  19           HA       PRO  19   5.092   3.561   3.561
  116   1HB   PRO  19          1HB       PRO  19   7.167   4.854   4.854
  117   2HB   PRO  19          2HB       PRO  19   6.809   3.158   3.158
  118   1HG   PRO  19          1HG       PRO  19   6.308   5.453   5.453
  119   2HG   PRO  19          2HG       PRO  19   6.357   3.746   3.746
  120   1HD   PRO  19          1HD       PRO  19   4.012   5.372   5.372
  121   2HD   PRO  19          2HD       PRO  19   4.060   3.642   3.642
  122    H    ASP  20           H        ASP  20   3.370   6.170   6.170
  123    HA   ASP  20           HA       ASP  20   4.901   7.938   7.938
  124   1HB   ASP  20          1HB       ASP  20   3.142   8.253   8.253
  125   2HB   ASP  20          2HB       ASP  20   2.425   9.109   9.109
  126    H    VAL  21           H        VAL  21   2.640   5.515   5.515
  127    HA   VAL  21           HA       VAL  21   1.345   6.875   6.875
  128    HB   VAL  21           HB       VAL  21   0.136   4.800   4.800
  129   1HG1  VAL  21          2HG1      VAL  21  -0.748   6.087   6.087
  130   2HG1  VAL  21          3HG1      VAL  21  -1.974   5.795   5.795
  131   3HG1  VAL  21          1HG1      VAL  21  -1.024   4.437   4.437
  132   1HG2  VAL  21          3HG2      VAL  21   0.408   6.968   6.968
  133   2HG2  VAL  21          1HG2      VAL  21  -1.307   6.603   6.603
  134   3HG2  VAL  21          2HG2      VAL  21  -0.447   7.773   7.773
  135    H    PHE  22           H        PHE  22   2.694   3.881   3.881
  136    HA   PHE  22           HA       PHE  22   3.068   2.906   2.906
  137   1HB   PHE  22          1HB       PHE  22   2.540   1.192   1.192
  138   2HB   PHE  22          2HB       PHE  22   2.456   0.672   0.672
  139    HD1  PHE  22          2HD       PHE  22   0.613   1.752   1.752
  140    HD2  PHE  22          1HD       PHE  22   0.604   1.866   1.866
  141    HE1  PHE  22          2HE       PHE  22  -1.854   2.210   2.210
  142    HE2  PHE  22          1HE       PHE  22  -1.863   2.324   2.324
  143    HZ   PHE  22           HZ       PHE  22  -3.063   2.490   2.490
  144    H    GLU  23           H        GLU  23   5.194   2.606   2.606
  145    HA   GLU  23           HA       GLU  23   6.909   1.931   1.931
  146   1HB   GLU  23          1HB       GLU  23   7.712   4.061   4.061
  147   2HB   GLU  23          2HB       GLU  23   7.147   4.140   4.140
  148   1HG   GLU  23          1HG       GLU  23   9.013   2.749   2.749
  149   2HG   GLU  23          2HG       GLU  23   9.520   2.431   2.431
  150    H    MET  24           H        MET  24   8.598   0.417   0.417
  151    HA   MET  24           HA       MET  24   8.098  -1.608  -1.608
  152   1HB   MET  24          1HB       MET  24  10.867  -0.436  -0.436
  153   2HB   MET  24          2HB       MET  24  10.583  -2.089  -2.089
  154   1HG   MET  24          1HG       MET  24   9.779  -2.734  -2.734
  155   2HG   MET  24          2HG       MET  24   8.953  -1.214  -1.214
  156   1HE   MET  24          2HE       MET  24  11.581  -3.456  -3.456
  157   2HE   MET  24          3HE       MET  24  11.468  -2.921  -2.921
  158   3HE   MET  24          1HE       MET  24  12.961  -2.635  -2.635
  159    H    ASN  25           H        ASN  25   9.298  -2.420  -2.420
  160    HA   ASN  25           HA       ASN  25   9.024  -0.386  -0.386
  161   1HB   ASN  25          1HB       ASN  25   8.312  -2.905  -2.905
  162   2HB   ASN  25          2HB       ASN  25  10.006  -3.242  -3.242
  163   1HD2  ASN  25          1HD2      ASN  25  10.464  -3.483  -3.483
  164   2HD2  ASN  25          2HD2      ASN  25   9.791  -2.624  -2.624
  165    H    GLU  26           H        GLU  26  11.081  -1.865  -1.865
  166    HA   GLU  26           HA       GLU  26  13.250  -0.211  -0.211
  167   1HB   GLU  26          1HB       GLU  26  12.376  -1.616  -1.616
  168   2HB   GLU  26          2HB       GLU  26  13.769  -2.569  -2.569
  169   1HG   GLU  26          1HG       GLU  26  15.209  -0.559  -0.559
  170   2HG   GLU  26          2HG       GLU  26  13.827   0.462   0.462
  171    H    GLU  27           H        GLU  27  12.281  -3.382  -3.382
  172    HA   GLU  27           HA       GLU  27  14.646  -3.477  -3.477
  173   1HB   GLU  27          1HB       GLU  27  14.046  -6.049  -6.049
  174   2HB   GLU  27          2HB       GLU  27  15.564  -5.471  -5.471
  175   1HG   GLU  27          1HG       GLU  27  15.741  -3.795  -3.795
  176   2HG   GLU  27          2HG       GLU  27  14.195  -4.314  -4.314
  177    H    GLY  28           H        GLY  28  11.567  -3.211  -3.211
  178   1HA   GLY  28          1HA       GLY  28  10.057  -3.721  -3.721
  179   2HA   GLY  28          2HA       GLY  28  11.191  -4.850  -4.850
  180    H    ASP  29           H        ASP  29  10.816  -5.321  -5.321
  181    HA   ASP  29           HA       ASP  29   9.831  -7.874  -7.874
  182   1HB   ASP  29          1HB       ASP  29  10.918  -6.428  -6.428
  183   2HB   ASP  29          2HB       ASP  29   9.244  -6.482  -6.482
  184    H    LYS  30           H        LYS  30   8.288  -4.780  -4.780
  185    HA   LYS  30           HA       LYS  30   5.740  -5.919  -5.919
  186   1HB   LYS  30          1HB       LYS  30   6.203  -5.807  -5.807
  187   2HB   LYS  30          2HB       LYS  30   5.664  -4.156  -4.156
  188   1HG   LYS  30          1HG       LYS  30   3.501  -4.782  -4.782
  189   2HG   LYS  30          2HG       LYS  30   4.003  -6.201  -6.201
  190   1HD   LYS  30          1HD       LYS  30   4.717  -7.113  -7.113
  191   2HD   LYS  30          2HD       LYS  30   3.610  -5.890  -5.890
  192   1HE   LYS  30          1HE       LYS  30   1.775  -7.082  -7.082
  193   2HE   LYS  30          2HE       LYS  30   2.472  -7.464  -7.464
  194   1HZ   LYS  30          1HZ       LYS  30   3.900  -8.918  -8.918
  195   2HZ   LYS  30          2HZ       LYS  30   2.347  -9.068  -9.068
  196    H    ALA  31           H        ALA  31   4.112  -4.181  -4.181
  197    HA   ALA  31           HA       ALA  31   5.532  -2.002  -2.002
  198   1HB   ALA  31          3HB       ALA  31   3.180  -3.611  -3.611
  199   2HB   ALA  31          1HB       ALA  31   2.742  -1.887  -1.887
  200   3HB   ALA  31          2HB       ALA  31   4.021  -2.481  -2.481
  201    H    VAL  32           H        VAL  32   5.975  -0.308  -0.308
  202    HA   VAL  32           HA       VAL  32   4.198   0.323   0.323
  203    HB   VAL  32           HB       VAL  32   6.684   1.639   1.639
  204   1HG1  VAL  32          3HG1      VAL  32   5.247   3.292   3.292
  205   2HG1  VAL  32          1HG1      VAL  32   5.198   2.254   2.254
  206   3HG1  VAL  32          2HG1      VAL  32   6.738   2.974   2.974
  207   1HG2  VAL  32          3HG2      VAL  32   7.050  -0.591  -0.591
  208   2HG2  VAL  32          1HG2      VAL  32   7.784   0.681   0.681
  209   3HG2  VAL  32          2HG2      VAL  32   6.252  -0.073  -0.073
  210    H    VAL  33           H        VAL  33   3.111   2.413   2.413
  211    HA   VAL  33           HA       VAL  33   2.182   3.401   3.401
  212    HB   VAL  33           HB       VAL  33   0.977   3.420   3.420
  213   1HG1  VAL  33          1HG1      VAL  33   0.551   5.546   5.546
  214   2HG1  VAL  33          2HG1      VAL  33  -0.299   4.543   4.543
  215   3HG1  VAL  33          3HG1      VAL  33  -0.900   4.631   4.631
  216   1HG2  VAL  33          2HG2      VAL  33   0.983   1.372   1.372
  217   2HG2  VAL  33          3HG2      VAL  33  -0.418   1.746   1.746
  218   3HG2  VAL  33          1HG2      VAL  33  -0.399   2.275   2.275
  219    H    ILE  34           H        ILE  34   2.541   5.498   5.498
  220    HA   ILE  34           HA       ILE  34   3.936   7.168   7.168
  221    HB   ILE  34           HB       ILE  34   4.361   8.110   8.110
  222   1HG1  ILE  34          1HG1      ILE  34   4.971   5.152   5.152
  223   2HG1  ILE  34          2HG1      ILE  34   3.720   5.859   5.859
  224   1HG2  ILE  34          2HG2      ILE  34   5.971   7.030   7.030
  225   2HG2  ILE  34          3HG2      ILE  34   6.753   7.188   7.188
  226   3HG2  ILE  34          1HG2      ILE  34   6.036   8.616   8.616
  227   1HD1  ILE  34          2HD1      ILE  34   5.689   7.261   7.261
  228   2HD1  ILE  34          3HD1      ILE  34   6.741   6.075   6.075
  229   3HD1  ILE  34          1HD1      ILE  34   5.586   5.538   5.538
  230    H    ASN  35           H        ASN  35   1.346   6.921   6.921
  231    HA   ASN  35           HA       ASN  35   0.506   9.585   9.585
  232   1HB   ASN  35          1HB       ASN  35   0.960   8.711   8.711
  233   2HB   ASN  35          2HB       ASN  35  -0.737   8.304   8.304
  234   1HD2  ASN  35          1HD2      ASN  35   0.372  10.239  10.239
  235   2HD2  ASN  35          2HD2      ASN  35  -0.252  11.800  11.800
  236    HA   PRO  36           HA       PRO  36  -2.604   6.781   6.781
  237   1HB   PRO  36          1HB       PRO  36  -3.160   8.226   8.226
  238   2HB   PRO  36          2HB       PRO  36  -1.935   6.974   6.974
  239   1HG   PRO  36          1HG       PRO  36  -1.586   9.910   9.910
  240   2HG   PRO  36          2HG       PRO  36  -0.412   8.662   8.662
  241   1HD   PRO  36          1HD       PRO  36  -0.582  10.201  10.201
  242   2HD   PRO  36          2HD       PRO  36   0.516   8.874   8.874
  243    H    ASP  37           H        ASP  37  -2.865   8.945   8.945
  244    HA   ASP  37           HA       ASP  37  -5.609   8.944   8.944
  245   1HB   ASP  37          1HB       ASP  37  -5.544  10.494  10.494
  246   2HB   ASP  37          2HB       ASP  37  -4.368  11.509  11.509
  247    H    SER  38           H        SER  38  -3.337   8.520   8.520
  248    HA   SER  38           HA       SER  38  -2.316  10.430  10.430
  249   1HB   SER  38          1HB       SER  38  -2.196   7.904   7.904
  250   2HB   SER  38          2HB       SER  38  -3.687   8.028   8.028
  251    HG   SER  38           HG       SER  38  -1.255   9.483   9.483
  252    H    ASP  39           H        ASP  39  -5.404   8.880   8.880
  253    HA   ASP  39           HA       ASP  39  -7.268   9.789   9.789
  254   1HB   ASP  39          1HB       ASP  39  -7.847  11.879  11.879
  255   2HB   ASP  39          2HB       ASP  39  -6.262  11.946  11.946
  256    H    LEU  40           H        LEU  40  -4.223   9.811   9.811
  257    HA   LEU  40           HA       LEU  40  -4.503  11.425  11.425
  258   1HB   LEU  40          1HB       LEU  40  -2.713   9.026   9.026
  259   2HB   LEU  40          2HB       LEU  40  -2.504  10.341  10.341
  260    HG   LEU  40           HG       LEU  40  -2.489  10.789  10.789
  261   1HD1  LEU  40          3HD1      LEU  40  -0.761   9.095   9.095
  262   2HD1  LEU  40          1HD1      LEU  40  -0.023  10.382  10.382
  263   3HD1  LEU  40          2HD1      LEU  40  -0.129  10.563  10.563
  264   1HD2  LEU  40          3HD2      LEU  40  -1.934  12.436  12.436
  265   2HD2  LEU  40          1HD2      LEU  40  -2.681  12.882  12.882
  266   3HD2  LEU  40          2HD2      LEU  40  -0.913  12.704  12.704
  267    H    ASP  41           H        ASP  41  -3.527   8.996   8.996
  268    HA   ASP  41           HA       ASP  41  -6.164   7.839   7.839
  269   1HB   ASP  41          1HB       ASP  41  -5.782   9.656   9.656
  270   2HB   ASP  41          2HB       ASP  41  -4.282   8.896   8.896
  271    H    CYS  42           H        CYS  42  -3.173   7.237   7.237
  272    HA   CYS  42           HA       CYS  42  -2.650   4.961   4.961
  273   1HB   CYS  42          1HB       CYS  42  -0.469   4.874   4.874
  274   2HB   CYS  42          2HB       CYS  42  -0.706   6.229   6.229
  275    H    VAL  43           H        VAL  43  -3.864   5.988   5.988
  276    HA   VAL  43           HA       VAL  43  -3.289   3.728   3.728
  277    HB   VAL  43           HB       VAL  43  -5.303   5.936   5.936
  278   1HG1  VAL  43          2HG1      VAL  43  -5.625   3.301   3.301
  279   2HG1  VAL  43          3HG1      VAL  43  -5.795   4.703   4.703
  280   3HG1  VAL  43          1HG1      VAL  43  -6.828   4.562   4.562
  281   1HG2  VAL  43          2HG2      VAL  43  -2.960   5.021   5.021
  282   2HG2  VAL  43          3HG2      VAL  43  -3.284   6.613   6.613
  283   3HG2  VAL  43          1HG2      VAL  43  -4.197   6.086   6.086
  284    H    GLU  44           H        GLU  44  -5.981   4.494   4.494
  285    HA   GLU  44           HA       GLU  44  -7.433   2.189   2.189
  286   1HB   GLU  44          1HB       GLU  44  -7.402   4.106   4.106
  287   2HB   GLU  44          2HB       GLU  44  -8.453   2.704   2.704
  288   1HG   GLU  44          1HG       GLU  44  -9.920   3.717   3.717
  289   2HG   GLU  44          2HG       GLU  44  -8.653   4.063   4.063
  290    H    GLU  45           H        GLU  45  -4.465   2.687   2.687
  291    HA   GLU  45           HA       GLU  45  -4.831   0.409   0.409
  292   1HB   GLU  45          1HB       GLU  45  -2.252   1.952   1.952
  293   2HB   GLU  45          2HB       GLU  45  -2.685   0.985   0.985
  294   1HG   GLU  45          1HG       GLU  45  -4.428   3.343   3.343
  295   2HG   GLU  45          2HG       GLU  45  -2.917   3.633   3.633
  296    H    ALA  46           H        ALA  46  -3.270   1.302   1.302
  297    HA   ALA  46           HA       ALA  46  -1.621  -0.969  -0.969
  298   1HB   ALA  46          3HB       ALA  46  -2.594   1.252   1.252
  299   2HB   ALA  46          1HB       ALA  46  -2.074  -0.225  -0.225
  300   3HB   ALA  46          2HB       ALA  46  -0.946   0.624   0.624
  301    H    ILE  47           H        ILE  47  -5.070  -0.398  -0.398
  302    HA   ILE  47           HA       ILE  47  -5.394  -2.833  -2.833
  303    HB   ILE  47           HB       ILE  47  -7.101  -0.522  -0.522
  304   1HG1  ILE  47          1HG1      ILE  47  -7.245  -1.903  -1.903
  305   2HG1  ILE  47          2HG1      ILE  47  -5.738  -1.047  -1.047
  306   1HG2  ILE  47          1HG2      ILE  47  -8.160  -3.277  -3.277
  307   2HG2  ILE  47          2HG2      ILE  47  -9.113  -1.782  -1.782
  308   3HG2  ILE  47          3HG2      ILE  47  -8.511  -2.280  -2.280
  309   1HD1  ILE  47          1HD1      ILE  47  -8.090   0.534   0.534
  310   2HD1  ILE  47          2HD1      ILE  47  -8.148   0.042   0.042
  311   3HD1  ILE  47          3HD1      ILE  47  -6.745   0.947   0.947
  312    H    ASP  48           H        ASP  48  -6.472  -1.471  -1.471
  313    HA   ASP  48           HA       ASP  48  -7.646  -3.790  -3.790
  314   1HB   ASP  48          1HB       ASP  48  -7.151  -1.221  -1.221
  315   2HB   ASP  48          2HB       ASP  48  -6.251  -2.243  -2.243
  316    H    SER  49           H        SER  49  -4.293  -2.903  -2.903
  317    HA   SER  49           HA       SER  49  -3.383  -4.898  -4.898
  318   1HB   SER  49          1HB       SER  49  -1.863  -2.912  -2.912
  319   2HB   SER  49          2HB       SER  49  -1.096  -4.033  -4.033
  320    HG   SER  49           HG       SER  49  -2.115  -1.594  -1.594
  321    H    CYS  50           H        CYS  50  -4.014  -4.381  -4.381
  322    HA   CYS  50           HA       CYS  50  -2.296  -6.555  -6.555
  323   1HB   CYS  50          1HB       CYS  50  -2.358  -4.707  -4.707
  324   2HB   CYS  50          2HB       CYS  50  -4.111  -4.672  -4.672
  325    HA   PRO  51           HA       PRO  51  -5.734  -9.232  -9.232
  326   1HB   PRO  51          1HB       PRO  51  -4.379 -11.592 -11.592
  327   2HB   PRO  51          2HB       PRO  51  -4.480 -10.700 -10.700
  328   1HG   PRO  51          1HG       PRO  51  -2.199 -10.936 -10.936
  329   2HG   PRO  51          2HG       PRO  51  -2.198 -10.422 -10.422
  330   1HD   PRO  51          1HD       PRO  51  -1.991  -8.737  -8.737
  331   2HD   PRO  51          2HD       PRO  51  -2.107  -8.216  -8.216
  332    H    ALA  52           H        ALA  52  -3.699  -9.108  -9.108
  333    HA   ALA  52           HA       ALA  52  -5.425 -10.847 -10.847
  334   1HB   ALA  52          1HB       ALA  52  -2.893  -9.276  -9.276
  335   2HB   ALA  52          2HB       ALA  52  -3.826  -9.919  -9.919
  336   3HB   ALA  52          3HB       ALA  52  -3.178 -11.027 -11.027
  337    H    GLU  53           H        GLU  53  -5.471  -7.605  -7.605
  338    HA   GLU  53           HA       GLU  53  -6.393  -5.748  -5.748
  339   1HB   GLU  53          1HB       GLU  53  -8.434  -7.921  -7.921
  340   2HB   GLU  53          2HB       GLU  53  -8.900  -6.433  -6.433
  341   1HG   GLU  53          1HG       GLU  53  -7.837  -5.390  -5.390
  342   2HG   GLU  53          2HG       GLU  53  -8.366  -6.943  -6.943
  343    H    ALA  54           H        ALA  54  -4.659  -6.853  -6.853
  344    HA   ALA  54           HA       ALA  54  -6.040  -6.833  -6.833
  345   1HB   ALA  54          2HB       ALA  54  -3.877  -8.100  -8.100
  346   2HB   ALA  54          3HB       ALA  54  -3.054  -6.552  -6.552
  347   3HB   ALA  54          1HB       ALA  54  -3.938  -7.369  -7.369
  348    H    ILE  55           H        ILE  55  -5.054  -4.446  -4.446
  349    HA   ILE  55           HA       ILE  55  -4.373  -2.475  -2.475
  350    HB   ILE  55           HB       ILE  55  -4.843  -2.090  -2.090
  351   1HG1  ILE  55          1HG1      ILE  55  -2.076  -2.433  -2.433
  352   2HG1  ILE  55          2HG1      ILE  55  -3.070  -3.902  -3.902
  353   1HG2  ILE  55          2HG2      ILE  55  -4.190  -0.324  -0.324
  354   2HG2  ILE  55          3HG2      ILE  55  -2.786  -0.443  -0.443
  355   3HG2  ILE  55          1HG2      ILE  55  -4.374   0.034   0.034
  356   1HD1  ILE  55          3HD1      ILE  55  -3.628  -3.038  -3.038
  357   2HD1  ILE  55          1HD1      ILE  55  -2.241  -1.947  -1.947
  358   3HD1  ILE  55          2HD1      ILE  55  -2.005  -3.711  -3.711
  359    H    VAL  56           H        VAL  56  -5.842  -1.333  -1.333
  360    HA   VAL  56           HA       VAL  56  -8.475  -0.971  -0.971
  361    HB   VAL  56           HB       VAL  56  -9.320  -0.993  -0.993
  362   1HG1  VAL  56          3HG1      VAL  56  -8.659  -3.180  -3.180
  363   2HG1  VAL  56          1HG1      VAL  56  -8.695  -3.722  -3.722
  364   3HG1  VAL  56          2HG1      VAL  56 -10.117  -2.918  -2.918
  365   1HG2  VAL  56          2HG2      VAL  56  -7.122  -0.772  -0.772
  366   2HG2  VAL  56          3HG2      VAL  56  -8.003  -2.218  -2.218
  367   3HG2  VAL  56          1HG2      VAL  56  -6.661  -2.379  -2.379
  368    H    ARG  57           H        ARG  57  -9.561   1.046   1.046
  369    HA   ARG  57           HA       ARG  57  -7.594   3.083   3.083
  370   1HB   ARG  57          1HB       ARG  57  -9.115   4.646   4.646
  371   2HB   ARG  57          2HB       ARG  57  -8.904   3.240   3.240
  372   1HG   ARG  57          1HG       ARG  57 -11.054   2.336   2.336
  373   2HG   ARG  57          2HG       ARG  57 -11.310   4.030   4.030
  374   1HD   ARG  57          1HD       ARG  57 -10.843   4.309   4.309
  375   2HD   ARG  57          2HD       ARG  57 -11.372   2.640   2.640
  376    HE   ARG  57           HE       ARG  57 -13.039   4.969   4.969
  377   1HH1  ARG  57          2HH2      ARG  57 -12.716   1.521   1.521
  378   2HH1  ARG  57          1HH2      ARG  57 -14.407   1.301   1.301
  379   1HH2  ARG  57          2HH1      ARG  57 -15.230   4.671   4.671
  380   2HH2  ARG  57          1HH1      ARG  57 -15.890   3.173   3.173
  381    H    SER  58           H        SER  58  -8.536   1.574   1.574
  382    HA   SER  58           HA       SER  58 -10.745   2.220   2.220
  383   1HB   SER  58          1HB       SER  58  -9.030   0.769   0.769
  384   2HB   SER  58          2HB       SER  58  -7.928   2.119   2.119
  385    HG   SER  58           HG       SER  58  -9.736   3.064   3.064

  Start of MODEL    5
    1    HA   PRO   1           HA       PRO   1  -7.715   5.662   5.662
    2   1HB   PRO   1          1HB       PRO   1  -6.619   6.788   6.788
    3   2HB   PRO   1          2HB       PRO   1  -7.474   7.714   7.714
    4   1HG   PRO   1          1HG       PRO   1  -4.566   7.549   7.549
    5   2HG   PRO   1          2HG       PRO   1  -5.458   8.758   8.758
    6   1HD   PRO   1          1HD       PRO   1  -3.885   6.622   6.622
    7   2HD   PRO   1          2HD       PRO   1  -4.871   7.761   7.761
    8    H    ILE   2           H        ILE   2  -4.864   5.446   5.446
    9    HA   ILE   2           HA       ILE   2  -5.832   2.931   2.931
   10    HB   ILE   2           HB       ILE   2  -4.159   3.107   3.107
   11   1HG1  ILE   2          1HG1      ILE   2  -2.318   3.583   3.583
   12   2HG1  ILE   2          2HG1      ILE   2  -2.185   4.409   4.409
   13   1HG2  ILE   2          2HG2      ILE   2  -5.647   5.541   5.541
   14   2HG2  ILE   2          3HG2      ILE   2  -4.259   5.813   5.813
   15   3HG2  ILE   2          1HG2      ILE   2  -5.539   4.667   4.667
   16   1HD1  ILE   2          2HD1      ILE   2  -3.552   6.296   6.296
   17   2HD1  ILE   2          3HD1      ILE   2  -2.794   5.492   5.492
   18   3HD1  ILE   2          1HD1      ILE   2  -1.779   6.177   6.177
   19    H    GLU   3           H        GLU   3  -5.110   0.887   0.887
   20    HA   GLU   3           HA       GLU   3  -2.859   0.774   0.774
   21   1HB   GLU   3          1HB       GLU   3  -5.542   0.227   0.227
   22   2HB   GLU   3          2HB       GLU   3  -4.824  -1.357  -1.357
   23   1HG   GLU   3          1HG       GLU   3  -4.083  -1.103  -1.103
   24   2HG   GLU   3          2HG       GLU   3  -2.835  -0.098  -0.098
   25    H    VAL   4           H        VAL   4  -1.649  -1.285  -1.285
   26    HA   VAL   4           HA       VAL   4  -2.004  -2.615  -2.615
   27    HB   VAL   4           HB       VAL   4   0.068  -1.322  -1.322
   28   1HG1  VAL   4          2HG1      VAL   4   0.030  -2.395  -2.395
   29   2HG1  VAL   4          3HG1      VAL   4   1.427  -3.152  -3.152
   30   3HG1  VAL   4          1HG1      VAL   4   1.296  -1.379  -1.379
   31   1HG2  VAL   4          1HG2      VAL   4   0.350  -4.336  -4.336
   32   2HG2  VAL   4          2HG2      VAL   4   0.151  -3.170  -3.170
   33   3HG2  VAL   4          3HG2      VAL   4   1.657  -3.189  -3.189
   34    H    ASN   5           H        ASN   5  -2.726  -2.939  -2.939
   35    HA   ASN   5           HA       ASN   5  -3.310  -4.611  -4.611
   36   1HB   ASN   5          1HB       ASN   5  -3.137  -6.088  -6.088
   37   2HB   ASN   5          2HB       ASN   5  -3.508  -6.969  -6.969
   38   1HD2  ASN   5          1HD2      ASN   5  -5.579  -7.446  -7.446
   39   2HD2  ASN   5          2HD2      ASN   5  -6.880  -6.329  -6.329
   40    H    ASP   6           H        ASP   6  -2.478  -7.313  -7.313
   41    HA   ASP   6           HA       ASP   6   0.419  -6.999  -6.999
   42   1HB   ASP   6          1HB       ASP   6  -0.829  -7.070  -7.070
   43   2HB   ASP   6          2HB       ASP   6  -1.375  -8.684  -8.684
   44    H    ASP   7           H        ASP   7  -2.412  -9.216  -9.216
   45    HA   ASP   7           HA       ASP   7  -1.205 -11.568 -11.568
   46   1HB   ASP   7          1HB       ASP   7  -3.639 -10.235 -10.235
   47   2HB   ASP   7          2HB       ASP   7  -3.107 -11.680 -11.680
   48    H    CYS   8           H        CYS   8  -1.215  -8.685  -8.685
   49    HA   CYS   8           HA       CYS   8  -0.641  -9.750  -9.750
   50   1HB   CYS   8          1HB       CYS   8  -0.934  -7.512  -7.512
   51   2HB   CYS   8          2HB       CYS   8  -0.205  -7.147  -7.147
   52    H    MET   9           H        MET   9   1.557  -9.798  -9.798
   53    HA   MET   9           HA       MET   9   3.469 -10.975 -10.975
   54   1HB   MET   9          1HB       MET   9   2.810 -12.412 -12.412
   55   2HB   MET   9          2HB       MET   9   3.058 -11.119 -11.119
   56   1HG   MET   9          1HG       MET   9   5.533 -11.117 -11.117
   57   2HG   MET   9          2HG       MET   9   5.215 -12.554 -12.554
   58   1HE   MET   9          3HE       MET   9   3.608 -14.535 -14.535
   59   2HE   MET   9          1HE       MET   9   2.690 -13.379 -13.379
   60   3HE   MET   9          2HE       MET   9   3.545 -14.735 -14.735
   61    H    ALA  10           H        ALA  10   4.080  -9.509  -9.509
   62    HA   ALA  10           HA       ALA  10   4.992  -7.065  -7.065
   63   1HB   ALA  10          1HB       ALA  10   6.828  -9.141  -9.141
   64   2HB   ALA  10          2HB       ALA  10   7.600  -7.827  -7.827
   65   3HB   ALA  10          3HB       ALA  10   6.592  -7.447  -7.447
   66    H    CYS  11           H        CYS  11   3.841  -8.174  -8.174
   67    HA   CYS  11           HA       CYS  11   5.719  -9.108  -9.108
   68   1HB   CYS  11          1HB       CYS  11   2.863  -8.669  -8.669
   69   2HB   CYS  11          2HB       CYS  11   3.493  -8.076  -8.076
   70    H    GLU  12           H        GLU  12   4.498  -5.965  -5.965
   71    HA   GLU  12           HA       GLU  12   5.166  -3.931  -3.931
   72   1HB   GLU  12          1HB       GLU  12   7.447  -5.489  -5.489
   73   2HB   GLU  12          2HB       GLU  12   7.278  -4.003  -4.003
   74   1HG   GLU  12          1HG       GLU  12   7.255  -2.675  -2.675
   75   2HG   GLU  12          2HG       GLU  12   7.293  -4.137  -4.137
   76    H    ALA  13           H        ALA  13   3.261  -5.484  -5.484
   77    HA   ALA  13           HA       ALA  13   3.592  -4.554  -4.554
   78   1HB   ALA  13          2HB       ALA  13   1.562  -6.007  -6.007
   79   2HB   ALA  13          3HB       ALA  13   0.944  -5.132  -5.132
   80   3HB   ALA  13          1HB       ALA  13   2.207  -6.370  -6.370
   81    H    CYS  14           H        CYS  14   1.535  -3.507  -3.507
   82    HA   CYS  14           HA       CYS  14   0.372  -1.367  -1.367
   83   1HB   CYS  14          1HB       CYS  14  -0.231  -0.548  -0.548
   84   2HB   CYS  14          2HB       CYS  14  -0.641  -2.231  -2.231
   85    H    VAL  15           H        VAL  15   3.487  -1.870  -1.870
   86    HA   VAL  15           HA       VAL  15   4.110   0.903   0.903
   87    HB   VAL  15           HB       VAL  15   5.776  -1.612  -1.612
   88   1HG1  VAL  15          3HG1      VAL  15   6.544   1.217   1.217
   89   2HG1  VAL  15          1HG1      VAL  15   7.091   0.356   0.356
   90   3HG1  VAL  15          2HG1      VAL  15   7.547  -0.246  -0.246
   91   1HG2  VAL  15          1HG2      VAL  15   4.561   0.176   0.176
   92   2HG2  VAL  15          2HG2      VAL  15   4.069  -1.486  -1.486
   93   3HG2  VAL  15          3HG2      VAL  15   5.672  -1.180  -1.180
   94    H    GLU  16           H        GLU  16   4.413  -1.644  -1.644
   95    HA   GLU  16           HA       GLU  16   6.317  -0.174  -0.174
   96   1HB   GLU  16          1HB       GLU  16   4.962  -2.797  -2.797
   97   2HB   GLU  16          2HB       GLU  16   5.190  -2.061  -2.061
   98   1HG   GLU  16          1HG       GLU  16   7.647  -1.612  -1.612
   99   2HG   GLU  16          2HG       GLU  16   7.315  -2.744  -2.744
  100    H    ILE  17           H        ILE  17   2.890  -0.077  -0.077
  101    HA   ILE  17           HA       ILE  17   2.441   1.126   1.126
  102    HB   ILE  17           HB       ILE  17   0.976  -0.660  -0.660
  103   1HG1  ILE  17          1HG1      ILE  17   0.632   0.017   0.017
  104   2HG1  ILE  17          2HG1      ILE  17  -0.914  -0.004  -0.004
  105   1HG2  ILE  17          2HG2      ILE  17  -0.029   2.038   2.038
  106   2HG2  ILE  17          3HG2      ILE  17  -1.035   0.569   0.569
  107   3HG2  ILE  17          1HG2      ILE  17   0.435   0.631   0.631
  108   1HD1  ILE  17          1HD1      ILE  17  -0.397   2.547   2.547
  109   2HD1  ILE  17          2HD1      ILE  17   0.746   2.340   2.340
  110   3HD1  ILE  17          3HD1      ILE  17  -0.988   2.020   2.020
  111    H    CYS  18           H        CYS  18   2.329   1.835   1.835
  112    HA   CYS  18           HA       CYS  18   2.549   4.648   4.648
  113   1HB   CYS  18          1HB       CYS  18   0.129   3.824   3.824
  114   2HB   CYS  18          2HB       CYS  18   0.755   3.898   3.898
  115    HA   PRO  19           HA       PRO  19   5.524   3.268   3.268
  116   1HB   PRO  19          1HB       PRO  19   7.771   4.290   4.290
  117   2HB   PRO  19          2HB       PRO  19   7.229   2.640   2.640
  118   1HG   PRO  19          1HG       PRO  19   7.051   4.939   4.939
  119   2HG   PRO  19          2HG       PRO  19   6.916   3.229   3.229
  120   1HD   PRO  19          1HD       PRO  19   4.765   5.119   5.119
  121   2HD   PRO  19          2HD       PRO  19   4.623   3.389   3.389
  122    H    ASP  20           H        ASP  20   4.082   6.002   6.002
  123    HA   ASP  20           HA       ASP  20   5.778   7.644   7.644
  124   1HB   ASP  20          1HB       ASP  20   4.385   8.155   8.155
  125   2HB   ASP  20          2HB       ASP  20   3.305   8.826   8.826
  126    H    VAL  21           H        VAL  21   2.968   5.652   5.652
  127    HA   VAL  21           HA       VAL  21   1.910   7.106   7.106
  128    HB   VAL  21           HB       VAL  21   0.547   5.252   5.252
  129   1HG1  VAL  21          2HG1      VAL  21  -0.431   6.535   6.535
  130   2HG1  VAL  21          3HG1      VAL  21  -1.541   6.008   6.008
  131   3HG1  VAL  21          1HG1      VAL  21  -0.489   4.821   4.821
  132   1HG2  VAL  21          3HG2      VAL  21   1.026   7.536   7.536
  133   2HG2  VAL  21          1HG2      VAL  21  -0.716   7.205   7.205
  134   3HG2  VAL  21          2HG2      VAL  21   0.113   8.211   8.211
  135    H    PHE  22           H        PHE  22   3.277   4.122   4.122
  136    HA   PHE  22           HA       PHE  22   3.243   3.054   3.054
  137   1HB   PHE  22          1HB       PHE  22   2.809   1.442   1.442
  138   2HB   PHE  22          2HB       PHE  22   2.611   0.854   0.854
  139    HD1  PHE  22          2HD       PHE  22   0.761   2.022   2.022
  140    HD2  PHE  22          1HD       PHE  22   0.953   2.194   2.194
  141    HE1  PHE  22          2HE       PHE  22  -1.680   2.599   2.599
  142    HE2  PHE  22          1HE       PHE  22  -1.487   2.770   2.770
  143    HZ   PHE  22           HZ       PHE  22  -2.775   2.966   2.966
  144    H    GLU  23           H        GLU  23   5.320   2.743   2.743
  145    HA   GLU  23           HA       GLU  23   7.180   1.915   1.915
  146   1HB   GLU  23          1HB       GLU  23   8.102   3.979   3.979
  147   2HB   GLU  23          2HB       GLU  23   7.347   4.148   4.148
  148   1HG   GLU  23          1HG       GLU  23   9.009   2.572   2.572
  149   2HG   GLU  23          2HG       GLU  23   9.751   2.356   2.356
  150    H    MET  24           H        MET  24   9.071   0.623   0.623
  151    HA   MET  24           HA       MET  24   8.187  -1.445  -1.445
  152   1HB   MET  24          1HB       MET  24  11.129  -0.686  -0.686
  153   2HB   MET  24          2HB       MET  24  10.428  -2.292  -2.292
  154   1HG   MET  24          1HG       MET  24  10.511  -2.198  -2.198
  155   2HG   MET  24          2HG       MET  24   9.177  -1.065  -1.065
  156   1HE   MET  24          1HE       MET  24  10.032  -0.215  -0.215
  157   2HE   MET  24          2HE       MET  24   9.346   1.067   1.067
  158   3HE   MET  24          3HE       MET  24  10.826   1.376   1.376
  159    H    ASN  25           H        ASN  25   8.667  -2.110  -2.110
  160    HA   ASN  25           HA       ASN  25   8.853   0.091   0.091
  161   1HB   ASN  25          1HB       ASN  25   8.423  -1.549  -1.549
  162   2HB   ASN  25          2HB       ASN  25   7.443  -2.014  -2.014
  163   1HD2  ASN  25          1HD2      ASN  25   9.393  -3.148  -3.148
  164   2HD2  ASN  25          2HD2      ASN  25  10.002  -4.602  -4.602
  165    H    GLU  26           H        GLU  26  10.303  -1.632  -1.632
  166    HA   GLU  26           HA       GLU  26  12.817  -0.604  -0.604
  167   1HB   GLU  26          1HB       GLU  26  11.466  -1.897  -1.897
  168   2HB   GLU  26          2HB       GLU  26  12.602  -3.151  -3.151
  169   1HG   GLU  26          1HG       GLU  26  14.479  -1.458  -1.458
  170   2HG   GLU  26          2HG       GLU  26  13.311  -0.288  -0.288
  171    H    GLU  27           H        GLU  27  11.584  -3.932  -3.932
  172    HA   GLU  27           HA       GLU  27  14.007  -4.280  -4.280
  173   1HB   GLU  27          1HB       GLU  27  12.434  -6.514  -6.514
  174   2HB   GLU  27          2HB       GLU  27  13.972  -6.661  -6.661
  175   1HG   GLU  27          1HG       GLU  27  14.889  -4.954  -4.954
  176   2HG   GLU  27          2HG       GLU  27  13.406  -5.222  -5.222
  177    H    GLY  28           H        GLY  28  11.206  -3.180  -3.180
  178   1HA   GLY  28          1HA       GLY  28   9.675  -3.305  -3.305
  179   2HA   GLY  28          2HA       GLY  28  10.886  -4.173  -4.173
  180    H    ASP  29           H        ASP  29   9.939  -5.569  -5.569
  181    HA   ASP  29           HA       ASP  29   8.989  -7.865  -7.865
  182   1HB   ASP  29          1HB       ASP  29  10.105  -7.381  -7.381
  183   2HB   ASP  29          2HB       ASP  29   8.418  -7.462  -7.462
  184    H    LYS  30           H        LYS  30   7.623  -4.847  -4.847
  185    HA   LYS  30           HA       LYS  30   4.981  -5.792  -5.792
  186   1HB   LYS  30          1HB       LYS  30   5.811  -5.388  -5.388
  187   2HB   LYS  30          2HB       LYS  30   4.482  -4.334  -4.334
  188   1HG   LYS  30          1HG       LYS  30   3.155  -6.247  -6.247
  189   2HG   LYS  30          2HG       LYS  30   4.506  -7.335  -7.335
  190   1HD   LYS  30          1HD       LYS  30   4.249  -6.126  -6.126
  191   2HD   LYS  30          2HD       LYS  30   2.584  -6.246  -6.246
  192   1HE   LYS  30          1HE       LYS  30   3.133  -8.294  -8.294
  193   2HE   LYS  30          2HE       LYS  30   3.000  -8.701  -8.701
  194   1HZ   LYS  30          1HZ       LYS  30   5.001  -9.607  -9.607
  195   2HZ   LYS  30          2HZ       LYS  30   5.379  -8.728  -8.728
  196    H    ALA  31           H        ALA  31   4.174  -4.330  -4.330
  197    HA   ALA  31           HA       ALA  31   5.484  -1.959  -1.959
  198   1HB   ALA  31          3HB       ALA  31   2.853  -3.238  -3.238
  199   2HB   ALA  31          1HB       ALA  31   3.034  -1.505  -1.505
  200   3HB   ALA  31          2HB       ALA  31   4.150  -2.688  -2.688
  201    H    VAL  32           H        VAL  32   5.792  -0.286  -0.286
  202    HA   VAL  32           HA       VAL  32   3.787   0.241   0.241
  203    HB   VAL  32           HB       VAL  32   6.589   1.113   1.113
  204   1HG1  VAL  32          3HG1      VAL  32   4.613   2.594   2.594
  205   2HG1  VAL  32          1HG1      VAL  32   6.377   2.728   2.728
  206   3HG1  VAL  32          2HG1      VAL  32   5.604   3.239   3.239
  207   1HG2  VAL  32          3HG2      VAL  32   5.753  -0.897  -0.897
  208   2HG2  VAL  32          1HG2      VAL  32   7.109   0.120   0.120
  209   3HG2  VAL  32          2HG2      VAL  32   5.481   0.376   0.376
  210    H    VAL  33           H        VAL  33   2.852   2.414   2.414
  211    HA   VAL  33           HA       VAL  33   2.220   3.558   3.558
  212    HB   VAL  33           HB       VAL  33   1.015   4.027   4.027
  213   1HG1  VAL  33          3HG1      VAL  33   0.795   5.780   5.780
  214   2HG1  VAL  33          1HG1      VAL  33  -0.361   4.605   4.605
  215   3HG1  VAL  33          2HG1      VAL  33  -0.640   5.305   5.305
  216   1HG2  VAL  33          2HG2      VAL  33   0.857   1.662   1.662
  217   2HG2  VAL  33          3HG2      VAL  33  -0.653   2.449   2.449
  218   3HG2  VAL  33          1HG2      VAL  33  -0.223   2.397   2.397
  219    H    ILE  34           H        ILE  34   2.732   5.656   5.656
  220    HA   ILE  34           HA       ILE  34   4.456   7.081   7.081
  221    HB   ILE  34           HB       ILE  34   4.814   7.954   7.954
  222   1HG1  ILE  34          1HG1      ILE  34   5.246   4.978   4.978
  223   2HG1  ILE  34          2HG1      ILE  34   3.963   5.709   5.709
  224   1HG2  ILE  34          1HG2      ILE  34   6.414   8.274   8.274
  225   2HG2  ILE  34          2HG2      ILE  34   6.638   6.513   6.513
  226   3HG2  ILE  34          3HG2      ILE  34   7.150   7.361   7.361
  227   1HD1  ILE  34          2HD1      ILE  34   5.751   6.828   6.828
  228   2HD1  ILE  34          3HD1      ILE  34   6.979   6.004   6.004
  229   3HD1  ILE  34          1HD1      ILE  34   5.877   5.053   5.053
  230    H    ASN  35           H        ASN  35   1.657   7.169   7.169
  231    HA   ASN  35           HA       ASN  35   1.276   9.943   9.943
  232   1HB   ASN  35          1HB       ASN  35   1.418   9.105   9.105
  233   2HB   ASN  35          2HB       ASN  35  -0.264   8.695   8.695
  234   1HD2  ASN  35          1HD2      ASN  35   1.146  10.772  10.772
  235   2HD2  ASN  35          2HD2      ASN  35   0.401  12.284  12.284
  236    HA   PRO  36           HA       PRO  36  -1.990   7.479   7.479
  237   1HB   PRO  36          1HB       PRO  36  -1.905   8.696   8.696
  238   2HB   PRO  36          2HB       PRO  36  -0.989   7.252   7.252
  239   1HG   PRO  36          1HG       PRO  36  -0.036  10.038  10.038
  240   2HG   PRO  36          2HG       PRO  36   0.892   8.553   8.553
  241   1HD   PRO  36          1HD       PRO  36   0.705  10.398  10.398
  242   2HD   PRO  36          2HD       PRO  36   1.537   8.856   8.856
  243    H    ASP  37           H        ASP  37  -2.308   9.603   9.603
  244    HA   ASP  37           HA       ASP  37  -4.895  10.247  10.247
  245   1HB   ASP  37          1HB       ASP  37  -3.997  11.654  11.654
  246   2HB   ASP  37          2HB       ASP  37  -2.945  12.488  12.488
  247    H    SER  38           H        SER  38  -3.370   9.386   9.386
  248    HA   SER  38           HA       SER  38  -2.394  11.371  11.371
  249   1HB   SER  38          1HB       SER  38  -2.436   8.698   8.698
  250   2HB   SER  38          2HB       SER  38  -3.812   8.996   8.996
  251    HG   SER  38           HG       SER  38  -1.334  10.410  10.410
  252    H    ASP  39           H        ASP  39  -3.827  11.042  11.042
  253    HA   ASP  39           HA       ASP  39  -6.545  11.589  11.589
  254   1HB   ASP  39          1HB       ASP  39  -5.297  13.771  13.771
  255   2HB   ASP  39          2HB       ASP  39  -4.941  13.993  13.993
  256    H    LEU  40           H        LEU  40  -4.685   9.920   9.920
  257    HA   LEU  40           HA       LEU  40  -5.200  11.007  11.007
  258   1HB   LEU  40          1HB       LEU  40  -3.290   9.383   9.383
  259   2HB   LEU  40          2HB       LEU  40  -2.922  10.954  10.954
  260    HG   LEU  40           HG       LEU  40  -2.506   9.962   9.962
  261   1HD1  LEU  40          1HD1      LEU  40  -4.168   8.164   8.164
  262   2HD1  LEU  40          2HD1      LEU  40  -3.172   7.295   7.295
  263   3HD1  LEU  40          3HD1      LEU  40  -2.561   7.551   7.551
  264   1HD2  LEU  40          2HD2      LEU  40  -0.823   9.905   9.905
  265   2HD2  LEU  40          3HD2      LEU  40  -0.408   9.210   9.210
  266   3HD2  LEU  40          1HD2      LEU  40  -0.956   8.149   8.149
  267    H    ASP  41           H        ASP  41  -4.843   8.707   8.707
  268    HA   ASP  41           HA       ASP  41  -7.110   7.165   7.165
  269   1HB   ASP  41          1HB       ASP  41  -7.160   8.303   8.303
  270   2HB   ASP  41          2HB       ASP  41  -5.858   7.243   7.243
  271    H    CYS  42           H        CYS  42  -3.695   7.147   7.147
  272    HA   CYS  42           HA       CYS  42  -3.051   4.662   4.662
  273   1HB   CYS  42          1HB       CYS  42  -0.977   5.091   5.091
  274   2HB   CYS  42          2HB       CYS  42  -1.635   6.705   6.705
  275    H    VAL  43           H        VAL  43  -4.603   5.686   5.686
  276    HA   VAL  43           HA       VAL  43  -4.098   3.329   3.329
  277    HB   VAL  43           HB       VAL  43  -6.224   5.468   5.468
  278   1HG1  VAL  43          3HG1      VAL  43  -6.665   3.119   3.119
  279   2HG1  VAL  43          1HG1      VAL  43  -5.460   3.654   3.654
  280   3HG1  VAL  43          2HG1      VAL  43  -6.947   4.600   4.600
  281   1HG2  VAL  43          1HG2      VAL  43  -3.457   5.534   5.534
  282   2HG2  VAL  43          2HG2      VAL  43  -4.682   6.735   6.735
  283   3HG2  VAL  43          3HG2      VAL  43  -4.247   5.419   5.419
  284    H    GLU  44           H        GLU  44  -6.373   4.233   4.233
  285    HA   GLU  44           HA       GLU  44  -8.172   2.123   2.123
  286   1HB   GLU  44          1HB       GLU  44  -8.678   4.344   4.344
  287   2HB   GLU  44          2HB       GLU  44  -7.935   3.623   3.623
  288   1HG   GLU  44          1HG       GLU  44  -9.680   1.614   1.614
  289   2HG   GLU  44          2HG       GLU  44 -10.576   3.079   3.079
  290    H    GLU  45           H        GLU  45  -5.470   2.698   2.698
  291    HA   GLU  45           HA       GLU  45  -5.865   0.130   0.130
  292   1HB   GLU  45          1HB       GLU  45  -3.869   0.732   0.732
  293   2HB   GLU  45          2HB       GLU  45  -5.084   1.995   1.995
  294   1HG   GLU  45          1HG       GLU  45  -3.619   2.804   2.804
  295   2HG   GLU  45          2HG       GLU  45  -2.364   2.004   2.004
  296    H    ALA  46           H        ALA  46  -4.301   1.399   1.399
  297    HA   ALA  46           HA       ALA  46  -2.227  -0.619  -0.619
  298   1HB   ALA  46          1HB       ALA  46  -3.082   1.562   1.562
  299   2HB   ALA  46          2HB       ALA  46  -1.691   0.479   0.479
  300   3HB   ALA  46          3HB       ALA  46  -1.705   1.610   1.610
  301    H    ILE  47           H        ILE  47  -5.567  -0.321  -0.321
  302    HA   ILE  47           HA       ILE  47  -5.345  -2.422  -2.422
  303    HB   ILE  47           HB       ILE  47  -7.110  -0.139  -0.139
  304   1HG1  ILE  47          1HG1      ILE  47  -7.531  -0.995  -0.995
  305   2HG1  ILE  47          2HG1      ILE  47  -5.940  -1.717  -1.717
  306   1HG2  ILE  47          1HG2      ILE  47  -8.648  -1.901  -1.901
  307   2HG2  ILE  47          2HG2      ILE  47  -8.376  -2.785  -2.785
  308   3HG2  ILE  47          3HG2      ILE  47  -9.158  -1.186  -1.186
  309   1HD1  ILE  47          1HD1      ILE  47  -5.246   0.613   0.613
  310   2HD1  ILE  47          2HD1      ILE  47  -6.776   1.206   1.206
  311   3HD1  ILE  47          3HD1      ILE  47  -5.549   0.471   0.471
  312    H    ASP  48           H        ASP  48  -6.978  -1.518  -1.518
  313    HA   ASP  48           HA       ASP  48  -8.344  -3.917  -3.917
  314   1HB   ASP  48          1HB       ASP  48  -8.125  -1.515  -1.515
  315   2HB   ASP  48          2HB       ASP  48  -7.450  -2.684  -2.684
  316    H    SER  49           H        SER  49  -5.018  -2.864  -2.864
  317    HA   SER  49           HA       SER  49  -4.465  -5.099  -5.099
  318   1HB   SER  49          1HB       SER  49  -2.656  -2.992  -2.992
  319   2HB   SER  49          2HB       SER  49  -2.092  -4.218  -4.218
  320    HG   SER  49           HG       SER  49  -4.332  -2.791  -2.791
  321    H    CYS  50           H        CYS  50  -4.854  -4.627  -4.627
  322    HA   CYS  50           HA       CYS  50  -2.759  -6.448  -6.448
  323   1HB   CYS  50          1HB       CYS  50  -3.132  -4.613  -4.613
  324   2HB   CYS  50          2HB       CYS  50  -4.856  -4.915  -4.915
  325    HA   PRO  51           HA       PRO  51  -5.678  -9.705  -9.705
  326   1HB   PRO  51          1HB       PRO  51  -3.914 -11.781 -11.781
  327   2HB   PRO  51          2HB       PRO  51  -4.214 -10.934 -10.934
  328   1HG   PRO  51          1HG       PRO  51  -1.879 -10.741 -10.741
  329   2HG   PRO  51          2HG       PRO  51  -2.015 -10.249 -10.249
  330   1HD   PRO  51          1HD       PRO  51  -2.053  -8.535  -8.535
  331   2HD   PRO  51          2HD       PRO  51  -2.305  -8.058  -8.058
  332    H    ALA  52           H        ALA  52  -3.455  -9.449  -9.449
  333    HA   ALA  52           HA       ALA  52  -4.964 -11.328 -11.328
  334   1HB   ALA  52          1HB       ALA  52  -2.412 -10.834 -10.834
  335   2HB   ALA  52          2HB       ALA  52  -2.857  -9.403  -9.403
  336   3HB   ALA  52          3HB       ALA  52  -3.258 -11.033 -11.033
  337    H    GLU  53           H        GLU  53  -5.449  -8.153  -8.153
  338    HA   GLU  53           HA       GLU  53  -6.476  -6.387  -6.387
  339   1HB   GLU  53          1HB       GLU  53  -8.252  -8.190  -8.190
  340   2HB   GLU  53          2HB       GLU  53  -8.466  -8.381  -8.381
  341   1HG   GLU  53          1HG       GLU  53 -10.082  -6.752  -6.752
  342   2HG   GLU  53          2HG       GLU  53  -8.726  -5.748  -5.748
  343    H    ALA  54           H        ALA  54  -4.414  -7.327  -7.327
  344    HA   ALA  54           HA       ALA  54  -5.501  -7.305  -7.305
  345   1HB   ALA  54          3HB       ALA  54  -3.450  -8.559  -8.559
  346   2HB   ALA  54          1HB       ALA  54  -2.632  -7.007  -7.007
  347   3HB   ALA  54          2HB       ALA  54  -3.157  -7.433  -7.433
  348    H    ILE  55           H        ILE  55  -4.659  -4.945  -4.945
  349    HA   ILE  55           HA       ILE  55  -4.165  -2.880  -2.880
  350    HB   ILE  55           HB       ILE  55  -2.742  -2.786  -2.786
  351   1HG1  ILE  55          1HG1      ILE  55  -3.835  -0.663  -0.663
  352   2HG1  ILE  55          2HG1      ILE  55  -4.845  -0.709  -0.709
  353   1HG2  ILE  55          1HG2      ILE  55  -5.152  -3.561  -3.561
  354   2HG2  ILE  55          2HG2      ILE  55  -4.070  -2.406  -2.406
  355   3HG2  ILE  55          3HG2      ILE  55  -3.439  -3.973  -3.973
  356   1HD1  ILE  55          2HD1      ILE  55  -2.412  -1.044  -1.044
  357   2HD1  ILE  55          3HD1      ILE  55  -1.913  -0.173  -0.173
  358   3HD1  ILE  55          1HD1      ILE  55  -3.081   0.567   0.567
  359    H    VAL  56           H        VAL  56  -5.769  -1.731  -1.731
  360    HA   VAL  56           HA       VAL  56  -8.259  -1.482  -1.482
  361    HB   VAL  56           HB       VAL  56  -9.264  -1.412  -1.412
  362   1HG1  VAL  56          1HG1      VAL  56  -8.447  -3.892  -3.892
  363   2HG1  VAL  56          2HG1      VAL  56  -9.501  -3.955  -3.955
  364   3HG1  VAL  56          3HG1      VAL  56 -10.012  -3.047  -3.047
  365   1HG2  VAL  56          2HG2      VAL  56  -6.677  -2.937  -2.937
  366   2HG2  VAL  56          3HG2      VAL  56  -7.254  -1.499  -1.499
  367   3HG2  VAL  56          1HG2      VAL  56  -8.087  -3.059  -3.059
  368    H    ARG  57           H        ARG  57  -9.646   0.353   0.353
  369    HA   ARG  57           HA       ARG  57  -7.739   2.531   2.531
  370   1HB   ARG  57          1HB       ARG  57 -10.122   2.273   2.273
  371   2HB   ARG  57          2HB       ARG  57 -10.206   3.702   3.702
  372   1HG   ARG  57          1HG       ARG  57  -7.717   4.112   4.112
  373   2HG   ARG  57          2HG       ARG  57  -8.086   2.968   2.968
  374   1HD   ARG  57          1HD       ARG  57  -9.761   4.367   4.367
  375   2HD   ARG  57          2HD       ARG  57  -9.965   5.294   5.294
  376    HE   ARG  57           HE       ARG  57  -7.259   5.577   5.577
  377   1HH1  ARG  57          2HH2      ARG  57 -10.558   6.629   6.629
  378   2HH1  ARG  57          1HH2      ARG  57 -10.048   8.095   8.095
  379   1HH2  ARG  57          2HH1      ARG  57  -6.611   7.481   7.481
  380   2HH2  ARG  57          1HH1      ARG  57  -7.709   8.592   8.592
  381    H    SER  58           H        SER  58  -8.475   0.954   0.954
  382    HA   SER  58           HA       SER  58 -10.704   1.385   1.385
  383   1HB   SER  58          1HB       SER  58  -8.679   0.100   0.100
  384   2HB   SER  58          2HB       SER  58  -7.919   1.614   1.614
  385    HG   SER  58           HG       SER  58  -9.754   2.000   2.000

  Start of MODEL    6
    1    HA   PRO   1           HA       PRO   1  -4.880   7.307   7.307
    2   1HB   PRO   1          1HB       PRO   1  -2.527   6.024   6.024
    3   2HB   PRO   1          2HB       PRO   1  -2.608   7.680   7.680
    4   1HG   PRO   1          1HG       PRO   1  -1.851   5.246   5.246
    5   2HG   PRO   1          2HG       PRO   1  -1.538   6.922   6.922
    6   1HD   PRO   1          1HD       PRO   1  -3.527   5.219   5.219
    7   2HD   PRO   1          2HD       PRO   1  -3.290   6.926   6.926
    8    H    ILE   2           H        ILE   2  -3.809   5.604   5.604
    9    HA   ILE   2           HA       ILE   2  -6.005   3.990   3.990
   10    HB   ILE   2           HB       ILE   2  -4.337   2.831   2.831
   11   1HG1  ILE   2          1HG1      ILE   2  -2.435   4.008   4.008
   12   2HG1  ILE   2          2HG1      ILE   2  -2.200   3.532   3.532
   13   1HG2  ILE   2          3HG2      ILE   2  -5.320   5.662   5.662
   14   2HG2  ILE   2          1HG2      ILE   2  -4.289   5.054   5.054
   15   3HG2  ILE   2          2HG2      ILE   2  -5.833   4.248   4.248
   16   1HD1  ILE   2          3HD1      ILE   2  -3.422   6.216   6.216
   17   2HD1  ILE   2          1HD1      ILE   2  -1.732   6.033   6.033
   18   3HD1  ILE   2          2HD1      ILE   2  -2.172   5.720   5.720
   19    H    GLU   3           H        GLU   3  -5.206   1.420   1.420
   20    HA   GLU   3           HA       GLU   3  -4.166   0.409   0.409
   21   1HB   GLU   3          1HB       GLU   3  -6.752   0.376   0.376
   22   2HB   GLU   3          2HB       GLU   3  -6.565  -0.855  -0.855
   23   1HG   GLU   3          1HG       GLU   3  -5.864  -2.462  -2.462
   24   2HG   GLU   3          2HG       GLU   3  -4.972  -1.314  -1.314
   25    H    VAL   4           H        VAL   4  -3.104  -1.676  -1.676
   26    HA   VAL   4           HA       VAL   4  -2.769  -2.650  -2.650
   27    HB   VAL   4           HB       VAL   4  -0.891  -1.245  -1.245
   28   1HG1  VAL   4          1HG1      VAL   4  -1.232  -1.314  -1.314
   29   2HG1  VAL   4          2HG1      VAL   4  -0.024  -2.617  -2.617
   30   3HG1  VAL   4          3HG1      VAL   4   0.378  -0.994  -0.994
   31   1HG2  VAL   4          2HG2      VAL   4  -0.578  -3.696  -3.696
   32   2HG2  VAL   4          3HG2      VAL   4   0.863  -2.731  -2.731
   33   3HG2  VAL   4          1HG2      VAL   4   0.245  -3.932  -3.932
   34    H    ASN   5           H        ASN   5  -4.077  -3.291  -3.291
   35    HA   ASN   5           HA       ASN   5  -4.392  -5.029  -5.029
   36   1HB   ASN   5          1HB       ASN   5  -3.900  -6.390  -6.390
   37   2HB   ASN   5          2HB       ASN   5  -4.417  -7.301  -7.301
   38   1HD2  ASN   5          1HD2      ASN   5  -6.207  -7.739  -7.739
   39   2HD2  ASN   5          2HD2      ASN   5  -7.581  -6.684  -6.684
   40    H    ASP   6           H        ASP   6  -3.361  -7.650  -7.650
   41    HA   ASP   6           HA       ASP   6  -0.502  -7.135  -7.135
   42   1HB   ASP   6          1HB       ASP   6  -1.785  -7.352  -7.352
   43   2HB   ASP   6          2HB       ASP   6  -2.266  -8.968  -8.968
   44    H    ASP   7           H        ASP   7  -3.169  -9.293  -9.293
   45    HA   ASP   7           HA       ASP   7  -1.797 -11.644 -11.644
   46   1HB   ASP   7          1HB       ASP   7  -4.264 -10.402 -10.402
   47   2HB   ASP   7          2HB       ASP   7  -3.592 -11.689 -11.689
   48    H    CYS   8           H        CYS   8  -1.588  -8.619  -8.619
   49    HA   CYS   8           HA       CYS   8  -0.977  -9.418  -9.418
   50   1HB   CYS   8          1HB       CYS   8  -1.165  -7.158  -7.158
   51   2HB   CYS   8          2HB       CYS   8  -0.490  -7.013  -7.013
   52    H    MET   9           H        MET   9   1.250  -9.481  -9.481
   53    HA   MET   9           HA       MET   9   3.087 -10.807 -10.807
   54   1HB   MET   9          1HB       MET   9   2.344 -11.135 -11.135
   55   2HB   MET   9          2HB       MET   9   4.005 -11.488 -11.488
   56   1HG   MET   9          1HG       MET   9   3.442 -13.376 -13.376
   57   2HG   MET   9          2HG       MET   9   1.962 -12.671 -12.671
   58   1HE   MET   9          3HE       MET   9   3.786 -14.679 -14.679
   59   2HE   MET   9          1HE       MET   9   2.488 -15.885 -15.885
   60   3HE   MET   9          2HE       MET   9   2.953 -14.878 -14.878
   61    H    ALA  10           H        ALA  10   3.908  -9.642  -9.642
   62    HA   ALA  10           HA       ALA  10   4.903  -7.156  -7.156
   63   1HB   ALA  10          1HB       ALA  10   6.575  -9.330  -9.330
   64   2HB   ALA  10          2HB       ALA  10   7.456  -8.220  -8.220
   65   3HB   ALA  10          3HB       ALA  10   6.601  -7.586  -7.586
   66    H    CYS  11           H        CYS  11   3.579  -8.527  -8.527
   67    HA   CYS  11           HA       CYS  11   5.287  -9.457  -9.457
   68   1HB   CYS  11          1HB       CYS  11   2.730  -9.630  -9.630
   69   2HB   CYS  11          2HB       CYS  11   2.680  -8.046  -8.046
   70    H    GLU  12           H        GLU  12   4.367  -6.218  -6.218
   71    HA   GLU  12           HA       GLU  12   5.196  -4.252  -4.252
   72   1HB   GLU  12          1HB       GLU  12   7.274  -5.998  -5.998
   73   2HB   GLU  12          2HB       GLU  12   7.155  -4.553  -4.553
   74   1HG   GLU  12          1HG       GLU  12   8.595  -3.774  -3.774
   75   2HG   GLU  12          2HG       GLU  12   7.062  -3.314  -3.314
   76    H    ALA  13           H        ALA  13   3.030  -5.599  -5.599
   77    HA   ALA  13           HA       ALA  13   3.256  -4.726  -4.726
   78   1HB   ALA  13          1HB       ALA  13   1.626  -6.432  -6.432
   79   2HB   ALA  13          2HB       ALA  13   0.544  -5.061  -5.061
   80   3HB   ALA  13          3HB       ALA  13   1.347  -5.917  -5.917
   81    H    CYS  14           H        CYS  14   1.586  -3.454  -3.454
   82    HA   CYS  14           HA       CYS  14   0.477  -1.240  -1.240
   83   1HB   CYS  14          1HB       CYS  14   0.321  -0.306  -0.306
   84   2HB   CYS  14          2HB       CYS  14  -0.406  -1.883  -1.883
   85    H    VAL  15           H        VAL  15   3.689  -1.949  -1.949
   86    HA   VAL  15           HA       VAL  15   4.563   0.765   0.765
   87    HB   VAL  15           HB       VAL  15   6.166  -1.794  -1.794
   88   1HG1  VAL  15          3HG1      VAL  15   6.772   1.099   1.099
   89   2HG1  VAL  15          1HG1      VAL  15   7.703  -0.243  -0.243
   90   3HG1  VAL  15          2HG1      VAL  15   7.663  -0.021  -0.021
   91   1HG2  VAL  15          2HG2      VAL  15   4.237  -1.438  -1.438
   92   2HG2  VAL  15          3HG2      VAL  15   5.856  -1.866  -1.866
   93   3HG2  VAL  15          1HG2      VAL  15   5.293  -0.179  -0.179
   94    H    GLU  16           H        GLU  16   4.429  -1.970  -1.970
   95    HA   GLU  16           HA       GLU  16   6.281  -0.696  -0.696
   96   1HB   GLU  16          1HB       GLU  16   4.813  -3.318  -3.318
   97   2HB   GLU  16          2HB       GLU  16   5.324  -2.740  -2.740
   98   1HG   GLU  16          1HG       GLU  16   7.576  -2.988  -2.988
   99   2HG   GLU  16          2HG       GLU  16   7.384  -2.553  -2.553
  100    H    ILE  17           H        ILE  17   3.757   0.709   0.709
  101    HA   ILE  17           HA       ILE  17   2.881   1.270   1.270
  102    HB   ILE  17           HB       ILE  17   1.384  -0.519  -0.519
  103   1HG1  ILE  17          1HG1      ILE  17   0.600   1.267   1.267
  104   2HG1  ILE  17          2HG1      ILE  17  -0.709   0.593   0.593
  105   1HG2  ILE  17          2HG2      ILE  17   0.816   1.325   1.325
  106   2HG2  ILE  17          3HG2      ILE  17  -0.271   0.003   0.003
  107   3HG2  ILE  17          1HG2      ILE  17   1.391  -0.359  -0.359
  108   1HD1  ILE  17          2HD1      ILE  17   0.181   2.671   2.671
  109   2HD1  ILE  17          3HD1      ILE  17   0.491   3.314   3.314
  110   3HD1  ILE  17          1HD1      ILE  17  -1.152   2.804   2.804
  111    H    CYS  18           H        CYS  18   2.581   1.916   1.916
  112    HA   CYS  18           HA       CYS  18   2.781   4.750   4.750
  113   1HB   CYS  18          1HB       CYS  18   0.382   3.909   3.909
  114   2HB   CYS  18          2HB       CYS  18   0.961   3.840   3.840
  115    HA   PRO  19           HA       PRO  19   5.804   3.496   3.496
  116   1HB   PRO  19          1HB       PRO  19   7.940   4.840   4.840
  117   2HB   PRO  19          2HB       PRO  19   7.577   3.170   3.170
  118   1HG   PRO  19          1HG       PRO  19   7.172   5.583   5.583
  119   2HG   PRO  19          2HG       PRO  19   7.220   3.904   3.904
  120   1HD   PRO  19          1HD       PRO  19   4.882   5.537   5.537
  121   2HD   PRO  19          2HD       PRO  19   4.924   3.829   3.829
  122    H    ASP  20           H        ASP  20   4.012   6.048   6.048
  123    HA   ASP  20           HA       ASP  20   5.518   7.694   7.694
  124   1HB   ASP  20          1HB       ASP  20   4.530   8.462   8.462
  125   2HB   ASP  20          2HB       ASP  20   3.050   8.655   8.655
  126    H    VAL  21           H        VAL  21   2.993   5.434   5.434
  127    HA   VAL  21           HA       VAL  21   1.575   6.627   6.627
  128    HB   VAL  21           HB       VAL  21   0.584   4.842   4.842
  129   1HG1  VAL  21          3HG1      VAL  21  -0.340   4.264   4.264
  130   2HG1  VAL  21          1HG1      VAL  21  -1.044   5.899   5.899
  131   3HG1  VAL  21          2HG1      VAL  21  -1.548   4.747   4.747
  132   1HG2  VAL  21          2HG2      VAL  21   0.877   7.357   7.357
  133   2HG2  VAL  21          3HG2      VAL  21  -0.730   6.669   6.669
  134   3HG2  VAL  21          1HG2      VAL  21  -0.444   7.576   7.576
  135    H    PHE  22           H        PHE  22   3.125   3.763   3.763
  136    HA   PHE  22           HA       PHE  22   3.257   2.618   2.618
  137   1HB   PHE  22          1HB       PHE  22   2.608   1.010   1.010
  138   2HB   PHE  22          2HB       PHE  22   2.470   0.463   0.463
  139    HD1  PHE  22          2HD       PHE  22   0.726   1.716   1.716
  140    HD2  PHE  22          1HD       PHE  22   0.725   1.801   1.801
  141    HE1  PHE  22          2HE       PHE  22  -1.698   2.369   2.369
  142    HE2  PHE  22          1HE       PHE  22  -1.698   2.455   2.455
  143    HZ   PHE  22           HZ       PHE  22  -2.881   2.730   2.730
  144    H    GLU  23           H        GLU  23   5.318   2.002   2.002
  145    HA   GLU  23           HA       GLU  23   6.943   1.014   1.014
  146   1HB   GLU  23          1HB       GLU  23   7.724   3.192   3.192
  147   2HB   GLU  23          2HB       GLU  23   7.427   3.613   3.613
  148   1HG   GLU  23          1HG       GLU  23   9.500   1.496   1.496
  149   2HG   GLU  23          2HG       GLU  23   9.916   3.148   3.148
  150    H    MET  24           H        MET  24   8.571  -0.443  -0.443
  151    HA   MET  24           HA       MET  24   8.158  -1.992  -1.992
  152   1HB   MET  24          1HB       MET  24  11.052  -1.232  -1.232
  153   2HB   MET  24          2HB       MET  24  10.309  -2.813  -2.813
  154   1HG   MET  24          1HG       MET  24   9.295  -2.009  -2.009
  155   2HG   MET  24          2HG       MET  24  10.330  -0.601  -0.601
  156   1HE   MET  24          1HE       MET  24  12.845  -0.948  -0.948
  157   2HE   MET  24          2HE       MET  24  13.881  -1.915  -1.915
  158   3HE   MET  24          3HE       MET  24  12.844  -0.637  -0.637
  159    H    ASN  25           H        ASN  25   8.628  -2.184  -2.184
  160    HA   ASN  25           HA       ASN  25   8.657   0.250   0.250
  161   1HB   ASN  25          1HB       ASN  25   8.570  -1.120  -1.120
  162   2HB   ASN  25          2HB       ASN  25   7.619  -1.949  -1.949
  163   1HD2  ASN  25          1HD2      ASN  25   9.495  -2.596  -2.596
  164   2HD2  ASN  25          2HD2      ASN  25  10.411  -3.963  -3.963
  165    H    GLU  26           H        GLU  26  10.425  -0.642  -0.642
  166    HA   GLU  26           HA       GLU  26  12.804   0.488   0.488
  167   1HB   GLU  26          1HB       GLU  26  11.652   0.106   0.106
  168   2HB   GLU  26          2HB       GLU  26  12.862  -1.162  -1.162
  169   1HG   GLU  26          1HG       GLU  26  14.121   1.193   1.193
  170   2HG   GLU  26          2HG       GLU  26  13.231   1.685   1.685
  171    H    GLU  27           H        GLU  27  11.930  -2.909  -2.909
  172    HA   GLU  27           HA       GLU  27  14.486  -3.832  -3.832
  173   1HB   GLU  27          1HB       GLU  27  11.979  -5.339  -5.339
  174   2HB   GLU  27          2HB       GLU  27  13.532  -6.093  -6.093
  175   1HG   GLU  27          1HG       GLU  27  13.868  -3.811  -3.811
  176   2HG   GLU  27          2HG       GLU  27  12.637  -4.888  -4.888
  177    H    GLY  28           H        GLY  28  11.784  -2.793  -2.793
  178   1HA   GLY  28          1HA       GLY  28  11.068  -3.032  -3.032
  179   2HA   GLY  28          2HA       GLY  28  12.612  -3.775  -3.775
  180    H    ASP  29           H        ASP  29  10.336  -5.057  -5.057
  181    HA   ASP  29           HA       ASP  29   9.998  -7.357  -7.357
  182   1HB   ASP  29          1HB       ASP  29  10.969  -7.236  -7.236
  183   2HB   ASP  29          2HB       ASP  29   9.285  -7.638  -7.638
  184    H    LYS  30           H        LYS  30   8.500  -4.605  -4.605
  185    HA   LYS  30           HA       LYS  30   5.864  -5.729  -5.729
  186   1HB   LYS  30          1HB       LYS  30   6.748  -4.443  -4.443
  187   2HB   LYS  30          2HB       LYS  30   5.078  -4.353  -4.353
  188   1HG   LYS  30          1HG       LYS  30   5.363  -6.981  -6.981
  189   2HG   LYS  30          2HG       LYS  30   6.698  -6.794  -6.794
  190   1HD   LYS  30          1HD       LYS  30   4.255  -5.387  -5.387
  191   2HD   LYS  30          2HD       LYS  30   4.005  -7.110  -7.110
  192   1HE   LYS  30          1HE       LYS  30   6.519  -6.248  -6.248
  193   2HE   LYS  30          2HE       LYS  30   4.980  -6.078  -6.078
  194   1HZ   LYS  30          1HZ       LYS  30   5.036  -8.284  -8.284
  195   2HZ   LYS  30          2HZ       LYS  30   5.116  -8.605  -8.605
  196    H    ALA  31           H        ALA  31   4.683  -4.420  -4.420
  197    HA   ALA  31           HA       ALA  31   5.885  -2.064  -2.064
  198   1HB   ALA  31          1HB       ALA  31   3.120  -3.296  -3.296
  199   2HB   ALA  31          2HB       ALA  31   3.691  -1.886  -1.886
  200   3HB   ALA  31          3HB       ALA  31   4.505  -3.458  -3.458
  201    H    VAL  32           H        VAL  32   6.224  -0.502  -0.502
  202    HA   VAL  32           HA       VAL  32   4.139   0.150   0.150
  203    HB   VAL  32           HB       VAL  32   6.683   0.256   0.256
  204   1HG1  VAL  32          3HG1      VAL  32   6.288   2.365   2.365
  205   2HG1  VAL  32          1HG1      VAL  32   7.133   2.947   2.947
  206   3HG1  VAL  32          2HG1      VAL  32   7.784   1.565   1.565
  207   1HG2  VAL  32          1HG2      VAL  32   4.531   1.721   1.721
  208   2HG2  VAL  32          2HG2      VAL  32   6.081   1.265   1.265
  209   3HG2  VAL  32          3HG2      VAL  32   5.927   2.820   2.820
  210    H    VAL  33           H        VAL  33   3.245   2.409   2.409
  211    HA   VAL  33           HA       VAL  33   2.502   3.301   3.301
  212    HB   VAL  33           HB       VAL  33   1.341   3.801   3.801
  213   1HG1  VAL  33          1HG1      VAL  33   1.163   5.515   5.515
  214   2HG1  VAL  33          2HG1      VAL  33  -0.320   4.539   4.539
  215   3HG1  VAL  33          3HG1      VAL  33   0.033   5.437   5.437
  216   1HG2  VAL  33          3HG2      VAL  33   0.963   1.533   1.533
  217   2HG2  VAL  33          1HG2      VAL  33  -0.552   2.467   2.467
  218   3HG2  VAL  33          2HG2      VAL  33   0.293   2.209   2.209
  219    H    ILE  34           H        ILE  34   2.979   5.343   5.343
  220    HA   ILE  34           HA       ILE  34   4.710   6.946   6.946
  221    HB   ILE  34           HB       ILE  34   5.028   7.697   7.697
  222   1HG1  ILE  34          1HG1      ILE  34   5.360   4.705   4.705
  223   2HG1  ILE  34          2HG1      ILE  34   4.016   5.473   5.473
  224   1HG2  ILE  34          1HG2      ILE  34   6.653   6.574   6.574
  225   2HG2  ILE  34          2HG2      ILE  34   7.320   6.422   6.422
  226   3HG2  ILE  34          3HG2      ILE  34   6.904   8.028   8.028
  227   1HD1  ILE  34          3HD1      ILE  34   5.861   6.652   6.652
  228   2HD1  ILE  34          1HD1      ILE  34   6.989   5.492   5.492
  229   3HD1  ILE  34          2HD1      ILE  34   5.648   4.906   4.906
  230    H    ASN  35           H        ASN  35   1.786   6.787   6.787
  231    HA   ASN  35           HA       ASN  35   1.429   9.640   9.640
  232   1HB   ASN  35          1HB       ASN  35   1.323   8.565   8.565
  233   2HB   ASN  35          2HB       ASN  35  -0.246   7.966   7.966
  234   1HD2  ASN  35          1HD2      ASN  35   0.447   9.879   9.879
  235   2HD2  ASN  35          2HD2      ASN  35  -0.390  11.355  11.355
  236    HA   PRO  36           HA       PRO  36  -1.537   7.610   7.610
  237   1HB   PRO  36          1HB       PRO  36  -1.391   9.419   9.419
  238   2HB   PRO  36          2HB       PRO  36  -0.377   7.991   7.991
  239   1HG   PRO  36          1HG       PRO  36   0.339  10.809  10.809
  240   2HG   PRO  36          2HG       PRO  36   1.396   9.451   9.451
  241   1HD   PRO  36          1HD       PRO  36   0.891  10.655  10.655
  242   2HD   PRO  36          2HD       PRO  36   1.856   9.225   9.225
  243    H    ASP  37           H        ASP  37  -2.006   9.422   9.422
  244    HA   ASP  37           HA       ASP  37  -4.658   9.974   9.974
  245   1HB   ASP  37          1HB       ASP  37  -3.662  11.901  11.901
  246   2HB   ASP  37          2HB       ASP  37  -2.767  12.360  12.360
  247    H    SER  38           H        SER  38  -3.020   8.609   8.609
  248    HA   SER  38           HA       SER  38  -2.509  10.014  10.014
  249   1HB   SER  38          1HB       SER  38  -1.893   7.674   7.674
  250   2HB   SER  38          2HB       SER  38  -3.570   7.181   7.181
  251    HG   SER  38           HG       SER  38  -2.313   8.368   8.368
  252    H    ASP  39           H        ASP  39  -5.217   7.737   7.737
  253    HA   ASP  39           HA       ASP  39  -7.188   7.928   7.928
  254   1HB   ASP  39          1HB       ASP  39  -7.155   9.807   9.807
  255   2HB   ASP  39          2HB       ASP  39  -7.668  10.783  10.783
  256    H    LEU  40           H        LEU  40  -4.665   9.040   9.040
  257    HA   LEU  40           HA       LEU  40  -5.840  11.066  11.066
  258   1HB   LEU  40          1HB       LEU  40  -3.613  11.461  11.461
  259   2HB   LEU  40          2HB       LEU  40  -3.643  11.486  11.486
  260    HG   LEU  40           HG       LEU  40  -2.970   8.868   8.868
  261   1HD1  LEU  40          3HD1      LEU  40  -1.798  10.590  10.590
  262   2HD1  LEU  40          1HD1      LEU  40  -1.055   9.065   9.065
  263   3HD1  LEU  40          2HD1      LEU  40  -2.696   9.062   9.062
  264   1HD2  LEU  40          3HD2      LEU  40  -1.976  10.406  10.406
  265   2HD2  LEU  40          1HD2      LEU  40  -0.753   9.473   9.473
  266   3HD2  LEU  40          2HD2      LEU  40  -1.045  11.181  11.181
  267    H    ASP  41           H        ASP  41  -6.631   8.118   8.118
  268    HA   ASP  41           HA       ASP  41  -7.506   6.887   6.887
  269   1HB   ASP  41          1HB       ASP  41  -6.876   8.886   8.886
  270   2HB   ASP  41          2HB       ASP  41  -5.495   7.898   7.898
  271    H    CYS  42           H        CYS  42  -3.969   7.520   7.520
  272    HA   CYS  42           HA       CYS  42  -2.866   5.365   5.365
  273   1HB   CYS  42          1HB       CYS  42  -2.099   7.284   7.284
  274   2HB   CYS  42          2HB       CYS  42  -1.624   5.724   5.724
  275    H    VAL  43           H        VAL  43  -4.717   5.549   5.549
  276    HA   VAL  43           HA       VAL  43  -4.073   2.937   2.937
  277    HB   VAL  43           HB       VAL  43  -6.585   4.411   4.411
  278   1HG1  VAL  43          2HG1      VAL  43  -5.276   2.115   2.115
  279   2HG1  VAL  43          3HG1      VAL  43  -4.971   3.380   3.380
  280   3HG1  VAL  43          1HG1      VAL  43  -6.641   2.978   2.978
  281   1HG2  VAL  43          3HG2      VAL  43  -3.769   5.305   5.305
  282   2HG2  VAL  43          1HG2      VAL  43  -5.257   6.259   6.259
  283   3HG2  VAL  43          2HG2      VAL  43  -4.917   5.474   5.474
  284    H    GLU  44           H        GLU  44  -6.867   4.386   4.386
  285    HA   GLU  44           HA       GLU  44  -8.340   2.073   2.073
  286   1HB   GLU  44          1HB       GLU  44  -9.727   3.283   3.283
  287   2HB   GLU  44          2HB       GLU  44  -8.806   4.605   4.605
  288   1HG   GLU  44          1HG       GLU  44  -8.469   5.151   5.151
  289   2HG   GLU  44          2HG       GLU  44  -7.157   3.998   3.998
  290    H    GLU  45           H        GLU  45  -5.444   3.106   3.106
  291    HA   GLU  45           HA       GLU  45  -5.818   0.956   0.956
  292   1HB   GLU  45          1HB       GLU  45  -3.793   1.982   1.982
  293   2HB   GLU  45          2HB       GLU  45  -5.180   3.047   3.047
  294   1HG   GLU  45          1HG       GLU  45  -4.225   4.198   4.198
  295   2HG   GLU  45          2HG       GLU  45  -2.900   3.054   3.054
  296    H    ALA  46           H        ALA  46  -4.332   1.645   1.645
  297    HA   ALA  46           HA       ALA  46  -2.171  -0.260  -0.260
  298   1HB   ALA  46          3HB       ALA  46  -2.937   1.534   1.534
  299   2HB   ALA  46          1HB       ALA  46  -1.511   0.471   0.471
  300   3HB   ALA  46          2HB       ALA  46  -1.643   1.827   1.827
  301    H    ILE  47           H        ILE  47  -5.437  -0.019  -0.019
  302    HA   ILE  47           HA       ILE  47  -5.132  -2.384  -2.384
  303    HB   ILE  47           HB       ILE  47  -7.354  -0.435  -0.435
  304   1HG1  ILE  47          1HG1      ILE  47  -6.370  -1.222  -1.222
  305   2HG1  ILE  47          2HG1      ILE  47  -5.345  -0.174  -0.174
  306   1HG2  ILE  47          1HG2      ILE  47  -7.576  -3.234  -3.234
  307   2HG2  ILE  47          2HG2      ILE  47  -8.371  -2.045  -2.045
  308   3HG2  ILE  47          3HG2      ILE  47  -8.805  -2.130  -2.130
  309   1HD1  ILE  47          1HD1      ILE  47  -8.297   0.388   0.388
  310   2HD1  ILE  47          2HD1      ILE  47  -7.043   0.947   0.947
  311   3HD1  ILE  47          3HD1      ILE  47  -7.034   1.514   1.514
  312    H    ASP  48           H        ASP  48  -6.595  -1.326  -1.326
  313    HA   ASP  48           HA       ASP  48  -7.949  -3.677  -3.677
  314   1HB   ASP  48          1HB       ASP  48  -7.544  -1.232  -1.232
  315   2HB   ASP  48          2HB       ASP  48  -6.741  -2.351  -2.351
  316    H    SER  49           H        SER  49  -4.540  -2.746  -2.746
  317    HA   SER  49           HA       SER  49  -3.878  -4.946  -4.946
  318   1HB   SER  49          1HB       SER  49  -2.529  -2.531  -2.531
  319   2HB   SER  49          2HB       SER  49  -1.481  -3.933  -3.933
  320    HG   SER  49           HG       SER  49  -3.014  -3.689  -3.689
  321    H    CYS  50           H        CYS  50  -4.398  -4.356  -4.356
  322    HA   CYS  50           HA       CYS  50  -2.489  -6.306  -6.306
  323   1HB   CYS  50          1HB       CYS  50  -2.864  -4.427  -4.427
  324   2HB   CYS  50          2HB       CYS  50  -4.599  -4.666  -4.666
  325    HA   PRO  51           HA       PRO  51  -5.528  -9.420  -9.420
  326   1HB   PRO  51          1HB       PRO  51  -3.890 -11.579 -11.579
  327   2HB   PRO  51          2HB       PRO  51  -4.051 -10.739 -10.739
  328   1HG   PRO  51          1HG       PRO  51  -1.826 -10.639 -10.639
  329   2HG   PRO  51          2HG       PRO  51  -1.832 -10.165 -10.165
  330   1HD   PRO  51          1HD       PRO  51  -1.926  -8.418  -8.418
  331   2HD   PRO  51          2HD       PRO  51  -2.048  -7.953  -7.953
  332    H    ALA  52           H        ALA  52  -3.456  -9.256  -9.256
  333    HA   ALA  52           HA       ALA  52  -5.168 -11.023 -11.023
  334   1HB   ALA  52          2HB       ALA  52  -2.605 -10.698 -10.698
  335   2HB   ALA  52          3HB       ALA  52  -3.001  -9.215  -9.215
  336   3HB   ALA  52          1HB       ALA  52  -3.550 -10.797 -10.797
  337    H    GLU  53           H        GLU  53  -5.387  -7.831  -7.831
  338    HA   GLU  53           HA       GLU  53  -6.298  -5.978  -5.978
  339   1HB   GLU  53          1HB       GLU  53  -8.728  -6.258  -6.258
  340   2HB   GLU  53          2HB       GLU  53  -8.168  -7.256  -7.256
  341   1HG   GLU  53          1HG       GLU  53  -8.454  -9.252  -9.252
  342   2HG   GLU  53          2HG       GLU  53  -8.173  -8.501  -8.501
  343    H    ALA  54           H        ALA  54  -4.503  -6.769  -6.769
  344    HA   ALA  54           HA       ALA  54  -5.886  -6.938  -6.938
  345   1HB   ALA  54          1HB       ALA  54  -3.187  -7.382  -7.382
  346   2HB   ALA  54          2HB       ALA  54  -3.177  -6.517  -6.517
  347   3HB   ALA  54          3HB       ALA  54  -3.982  -8.099  -8.099
  348    H    ILE  55           H        ILE  55  -4.679  -4.511  -4.511
  349    HA   ILE  55           HA       ILE  55  -4.484  -2.531  -2.531
  350    HB   ILE  55           HB       ILE  55  -3.936  -1.085  -1.085
  351   1HG1  ILE  55          1HG1      ILE  55  -3.067  -3.708  -3.708
  352   2HG1  ILE  55          2HG1      ILE  55  -4.709  -3.099  -3.099
  353   1HG2  ILE  55          1HG2      ILE  55  -2.226  -3.125  -3.125
  354   2HG2  ILE  55          2HG2      ILE  55  -1.546  -2.132  -2.132
  355   3HG2  ILE  55          3HG2      ILE  55  -2.224  -1.350  -1.350
  356   1HD1  ILE  55          1HD1      ILE  55  -3.487  -0.878  -0.878
  357   2HD1  ILE  55          2HD1      ILE  55  -2.021  -1.886  -1.886
  358   3HD1  ILE  55          3HD1      ILE  55  -3.401  -2.245  -2.245
  359    H    VAL  56           H        VAL  56  -6.067  -1.079  -1.079
  360    HA   VAL  56           HA       VAL  56  -8.177  -0.660  -0.660
  361    HB   VAL  56           HB       VAL  56  -9.831  -0.933  -0.933
  362   1HG1  VAL  56          2HG1      VAL  56  -9.592  -2.425  -2.425
  363   2HG1  VAL  56          3HG1      VAL  56  -8.538  -3.473  -3.473
  364   3HG1  VAL  56          1HG1      VAL  56 -10.237  -3.226  -3.226
  365   1HG2  VAL  56          3HG2      VAL  56  -7.392  -2.310  -2.310
  366   2HG2  VAL  56          1HG2      VAL  56  -8.498  -1.159  -1.159
  367   3HG2  VAL  56          2HG2      VAL  56  -9.035  -2.823  -2.823
  368    H    ARG  57           H        ARG  57  -9.850   0.984   0.984
  369    HA   ARG  57           HA       ARG  57  -8.034   2.967   2.967
  370   1HB   ARG  57          1HB       ARG  57  -9.588   4.709   4.709
  371   2HB   ARG  57          2HB       ARG  57  -8.644   3.779   3.779
  372   1HG   ARG  57          1HG       ARG  57 -10.548   2.323   2.323
  373   2HG   ARG  57          2HG       ARG  57 -11.492   3.029   3.029
  374   1HD   ARG  57          1HD       ARG  57 -10.431   4.731   4.731
  375   2HD   ARG  57          2HD       ARG  57 -11.951   3.870   3.870
  376    HE   ARG  57           HE       ARG  57 -11.448   6.263   6.263
  377   1HH1  ARG  57          2HH2      ARG  57 -13.466   3.355   3.355
  378   2HH1  ARG  57          1HH2      ARG  57 -14.766   4.050   4.050
  379   1HH2  ARG  57          2HH1      ARG  57 -13.143   7.153   7.153
  380   2HH2  ARG  57          1HH1      ARG  57 -14.567   6.300   6.300
  381    H    SER  58           H        SER  58  -9.336   1.114   1.114
  382    HA   SER  58           HA       SER  58 -11.818   1.419   1.419
  383   1HB   SER  58          1HB       SER  58  -9.253   0.863   0.863
  384   2HB   SER  58          2HB       SER  58 -10.531   1.403   1.403
  385    HG   SER  58           HG       SER  58 -11.121  -0.619  -0.619

  Start of MODEL    7
    1    HA   PRO   1           HA       PRO   1  -7.559   5.837   5.837
    2   1HB   PRO   1          1HB       PRO   1  -6.546   7.104   7.104
    3   2HB   PRO   1          2HB       PRO   1  -7.319   7.953   7.953
    4   1HG   PRO   1          1HG       PRO   1  -4.443   7.767   7.767
    5   2HG   PRO   1          2HG       PRO   1  -5.262   8.924   8.924
    6   1HD   PRO   1          1HD       PRO   1  -3.689   6.681   6.681
    7   2HD   PRO   1          2HD       PRO   1  -4.603   7.770   7.770
    8    H    ILE   2           H        ILE   2  -4.354   5.224   5.224
    9    HA   ILE   2           HA       ILE   2  -5.559   2.873   2.873
   10    HB   ILE   2           HB       ILE   2  -4.210   3.150   3.150
   11   1HG1  ILE   2          1HG1      ILE   2  -2.097   3.501   3.501
   12   2HG1  ILE   2          2HG1      ILE   2  -2.254   4.550   4.550
   13   1HG2  ILE   2          3HG2      ILE   2  -5.128   5.858   5.858
   14   2HG2  ILE   2          1HG2      ILE   2  -4.453   5.595   5.595
   15   3HG2  ILE   2          2HG2      ILE   2  -5.938   4.747   4.747
   16   1HD1  ILE   2          3HD1      ILE   2  -3.250   6.265   6.265
   17   2HD1  ILE   2          1HD1      ILE   2  -2.468   5.222   5.222
   18   3HD1  ILE   2          2HD1      ILE   2  -1.489   6.010   6.010
   19    H    GLU   3           H        GLU   3  -4.897   0.958   0.958
   20    HA   GLU   3           HA       GLU   3  -2.181   0.625   0.625
   21   1HB   GLU   3          1HB       GLU   3  -3.799  -0.212  -0.212
   22   2HB   GLU   3          2HB       GLU   3  -2.296   0.689   0.689
   23   1HG   GLU   3          1HG       GLU   3  -3.471   2.785   2.785
   24   2HG   GLU   3          2HG       GLU   3  -4.988   1.949   1.949
   25    H    VAL   4           H        VAL   4  -2.130  -1.768  -1.768
   26    HA   VAL   4           HA       VAL   4  -4.041  -3.456  -3.456
   27    HB   VAL   4           HB       VAL   4  -2.219  -4.995  -4.995
   28   1HG1  VAL   4          2HG1      VAL   4  -2.456  -2.266  -2.266
   29   2HG1  VAL   4          3HG1      VAL   4  -0.915  -3.072  -3.072
   30   3HG1  VAL   4          1HG1      VAL   4  -2.456  -3.838  -3.838
   31   1HG2  VAL   4          1HG2      VAL   4  -0.783  -3.749  -3.749
   32   2HG2  VAL   4          2HG2      VAL   4  -0.080  -4.793  -4.793
   33   3HG2  VAL   4          3HG2      VAL   4  -0.068  -3.025  -3.025
   34    H    ASN   5           H        ASN   5  -2.909  -5.924  -5.924
   35    HA   ASN   5           HA       ASN   5  -3.398  -5.555  -5.555
   36   1HB   ASN   5          1HB       ASN   5  -3.885  -8.252  -8.252
   37   2HB   ASN   5          2HB       ASN   5  -4.815  -7.402  -7.402
   38   1HD2  ASN   5          1HD2      ASN   5  -4.388  -8.093  -8.093
   39   2HD2  ASN   5          2HD2      ASN   5  -5.745  -7.226  -7.226
   40    H    ASP   6           H        ASP   6  -2.807  -8.407  -8.407
   41    HA   ASP   6           HA       ASP   6   0.065  -8.253  -8.253
   42   1HB   ASP   6          1HB       ASP   6  -0.732  -8.509  -8.509
   43   2HB   ASP   6          2HB       ASP   6  -1.731  -9.877  -9.877
   44    H    ASP   7           H        ASP   7  -2.323  -9.337  -9.337
   45    HA   ASP   7           HA       ASP   7  -1.468 -12.081 -12.081
   46   1HB   ASP   7          1HB       ASP   7  -3.930 -10.979 -10.979
   47   2HB   ASP   7          2HB       ASP   7  -3.448 -10.807 -10.807
   48    H    CYS   8           H        CYS   8  -1.402  -8.896  -8.896
   49    HA   CYS   8           HA       CYS   8  -0.701  -9.603  -9.603
   50   1HB   CYS   8          1HB       CYS   8  -1.023  -7.352  -7.352
   51   2HB   CYS   8          2HB       CYS   8  -0.273  -7.216  -7.216
   52    H    MET   9           H        MET   9   1.500  -9.609  -9.609
   53    HA   MET   9           HA       MET   9   3.384 -10.915 -10.915
   54   1HB   MET   9          1HB       MET   9   2.724 -11.052 -11.052
   55   2HB   MET   9          2HB       MET   9   4.382 -11.387 -11.387
   56   1HG   MET   9          1HG       MET   9   3.808 -13.313 -13.313
   57   2HG   MET   9          2HG       MET   9   2.178 -12.756 -12.756
   58   1HE   MET   9          1HE       MET   9   2.329 -15.355 -15.355
   59   2HE   MET   9          2HE       MET   9   1.672 -15.983 -15.983
   60   3HE   MET   9          3HE       MET   9   3.430 -15.804 -15.804
   61    H    ALA  10           H        ALA  10   4.240  -9.502  -9.502
   62    HA   ALA  10           HA       ALA  10   5.092  -7.015  -7.015
   63   1HB   ALA  10          1HB       ALA  10   6.662  -9.004  -9.004
   64   2HB   ALA  10          2HB       ALA  10   7.685  -8.234  -8.234
   65   3HB   ALA  10          3HB       ALA  10   6.880  -7.237  -7.237
   66    H    CYS  11           H        CYS  11   3.979  -8.394  -8.394
   67    HA   CYS  11           HA       CYS  11   5.936  -9.079  -9.079
   68   1HB   CYS  11          1HB       CYS  11   3.265  -9.420  -9.420
   69   2HB   CYS  11          2HB       CYS  11   3.311  -8.065  -8.065
   70    H    GLU  12           H        GLU  12   4.465  -6.061  -6.061
   71    HA   GLU  12           HA       GLU  12   4.956  -3.975  -3.975
   72   1HB   GLU  12          1HB       GLU  12   7.244  -4.974  -4.974
   73   2HB   GLU  12          2HB       GLU  12   7.047  -3.325  -3.325
   74   1HG   GLU  12          1HG       GLU  12   7.413  -3.929  -3.929
   75   2HG   GLU  12          2HG       GLU  12   7.134  -5.631  -5.631
   76    H    ALA  13           H        ALA  13   3.074  -5.509  -5.509
   77    HA   ALA  13           HA       ALA  13   3.343  -4.690  -4.690
   78   1HB   ALA  13          2HB       ALA  13   1.520  -6.226  -6.226
   79   2HB   ALA  13          3HB       ALA  13   0.630  -5.187  -5.187
   80   3HB   ALA  13          1HB       ALA  13   1.828  -6.353  -6.353
   81    H    CYS  14           H        CYS  14   1.451  -3.473  -3.473
   82    HA   CYS  14           HA       CYS  14   0.201  -1.412  -1.412
   83   1HB   CYS  14          1HB       CYS  14  -0.118  -0.413  -0.413
   84   2HB   CYS  14          2HB       CYS  14  -0.698  -2.056  -2.056
   85    H    VAL  15           H        VAL  15   3.415  -1.792  -1.792
   86    HA   VAL  15           HA       VAL  15   4.054   0.983   0.983
   87    HB   VAL  15           HB       VAL  15   5.773  -1.485  -1.485
   88   1HG1  VAL  15          3HG1      VAL  15   6.401   1.440   1.440
   89   2HG1  VAL  15          1HG1      VAL  15   7.435   0.067   0.067
   90   3HG1  VAL  15          2HG1      VAL  15   7.119   0.407   0.407
   91   1HG2  VAL  15          3HG2      VAL  15   3.852  -0.348  -0.348
   92   2HG2  VAL  15          1HG2      VAL  15   5.051  -1.611  -1.611
   93   3HG2  VAL  15          2HG2      VAL  15   5.446   0.102   0.102
   94    H    GLU  16           H        GLU  16   4.221  -1.803  -1.803
   95    HA   GLU  16           HA       GLU  16   6.015  -0.439  -0.439
   96   1HB   GLU  16          1HB       GLU  16   4.676  -3.132  -3.132
   97   2HB   GLU  16          2HB       GLU  16   5.212  -2.544  -2.544
   98   1HG   GLU  16          1HG       GLU  16   7.035  -2.582  -2.582
   99   2HG   GLU  16          2HG       GLU  16   6.913  -3.939  -3.939
  100    H    ILE  17           H        ILE  17   3.670   1.090   1.090
  101    HA   ILE  17           HA       ILE  17   2.806   1.593   1.593
  102    HB   ILE  17           HB       ILE  17   1.456  -0.446  -0.446
  103   1HG1  ILE  17          1HG1      ILE  17   0.843   0.862   0.862
  104   2HG1  ILE  17          2HG1      ILE  17  -0.633   0.491   0.491
  105   1HG2  ILE  17          2HG2      ILE  17   0.259   1.607   1.607
  106   2HG2  ILE  17          3HG2      ILE  17  -0.612   0.147   0.147
  107   3HG2  ILE  17          1HG2      ILE  17   0.908  -0.004  -0.004
  108   1HD1  ILE  17          3HD1      ILE  17  -0.049   2.845   2.845
  109   2HD1  ILE  17          1HD1      ILE  17   0.825   3.096   3.096
  110   3HD1  ILE  17          2HD1      ILE  17  -0.924   2.762   2.762
  111    H    CYS  18           H        CYS  18   2.260   1.952   1.952
  112    HA   CYS  18           HA       CYS  18   2.124   4.827   4.827
  113   1HB   CYS  18          1HB       CYS  18  -0.148   3.540   3.540
  114   2HB   CYS  18          2HB       CYS  18   0.414   3.670   3.670
  115    HA   PRO  19           HA       PRO  19   5.148   3.574   3.574
  116   1HB   PRO  19          1HB       PRO  19   7.347   4.790   4.790
  117   2HB   PRO  19          2HB       PRO  19   6.948   3.108   3.108
  118   1HG   PRO  19          1HG       PRO  19   6.652   5.413   5.413
  119   2HG   PRO  19          2HG       PRO  19   6.668   3.704   3.704
  120   1HD   PRO  19          1HD       PRO  19   4.367   5.413   5.413
  121   2HD   PRO  19          2HD       PRO  19   4.373   3.682   3.682
  122    H    ASP  20           H        ASP  20   3.544   6.213   6.213
  123    HA   ASP  20           HA       ASP  20   5.045   7.972   7.972
  124   1HB   ASP  20          1HB       ASP  20   3.546   8.344   8.344
  125   2HB   ASP  20          2HB       ASP  20   2.488   8.970   8.970
  126    H    VAL  21           H        VAL  21   2.529   5.664   5.664
  127    HA   VAL  21           HA       VAL  21   1.348   6.979   6.979
  128    HB   VAL  21           HB       VAL  21   0.075   5.173   5.173
  129   1HG1  VAL  21          3HG1      VAL  21  -0.962   6.188   6.188
  130   2HG1  VAL  21          1HG1      VAL  21  -2.037   5.643   5.643
  131   3HG1  VAL  21          2HG1      VAL  21  -0.871   4.510   4.510
  132   1HG2  VAL  21          1HG2      VAL  21   0.452   7.909   7.909
  133   2HG2  VAL  21          2HG2      VAL  21  -0.795   7.006   7.006
  134   3HG2  VAL  21          3HG2      VAL  21  -1.187   7.751   7.751
  135    H    PHE  22           H        PHE  22   2.660   4.038   4.038
  136    HA   PHE  22           HA       PHE  22   2.847   2.883   2.883
  137   1HB   PHE  22          1HB       PHE  22   2.334   1.352   1.352
  138   2HB   PHE  22          2HB       PHE  22   2.199   0.718   0.718
  139    HD1  PHE  22          2HD       PHE  22   0.377   1.816   1.816
  140    HD2  PHE  22          1HD       PHE  22   0.432   2.108   2.108
  141    HE1  PHE  22          2HE       PHE  22  -2.074   2.356   2.356
  142    HE2  PHE  22          1HE       PHE  22  -2.018   2.647   2.647
  143    HZ   PHE  22           HZ       PHE  22  -3.244   2.765   2.765
  144    H    GLU  23           H        GLU  23   4.912   2.337   2.337
  145    HA   GLU  23           HA       GLU  23   6.676   1.626   1.626
  146   1HB   GLU  23          1HB       GLU  23   7.382   3.848   3.848
  147   2HB   GLU  23          2HB       GLU  23   7.046   3.883   3.883
  148   1HG   GLU  23          1HG       GLU  23   9.440   3.819   3.819
  149   2HG   GLU  23          2HG       GLU  23   8.962   2.214   2.214
  150    H    MET  24           H        MET  24   8.494   0.260   0.260
  151    HA   MET  24           HA       MET  24   7.828  -1.659  -1.659
  152   1HB   MET  24          1HB       MET  24  10.719  -0.840  -0.840
  153   2HB   MET  24          2HB       MET  24  10.097  -2.461  -2.461
  154   1HG   MET  24          1HG       MET  24   9.969  -2.611  -2.611
  155   2HG   MET  24          2HG       MET  24   8.591  -1.533  -1.533
  156   1HE   MET  24          3HE       MET  24  11.460  -2.313  -2.313
  157   2HE   MET  24          1HE       MET  24  12.317  -0.840  -0.840
  158   3HE   MET  24          2HE       MET  24  12.642  -1.550  -1.550
  159    H    ASN  25           H        ASN  25   8.628  -2.248  -2.248
  160    HA   ASN  25           HA       ASN  25   8.527  -0.159  -0.159
  161   1HB   ASN  25          1HB       ASN  25   8.215  -2.761  -2.761
  162   2HB   ASN  25          2HB       ASN  25   9.946  -2.788  -2.788
  163   1HD2  ASN  25          1HD2      ASN  25  10.385  -2.888  -2.888
  164   2HD2  ASN  25          2HD2      ASN  25   9.617  -2.020  -2.020
  165    H    GLU  26           H        GLU  26  10.919  -1.402  -1.402
  166    HA   GLU  26           HA       GLU  26  12.842   0.471   0.471
  167   1HB   GLU  26          1HB       GLU  26  12.109  -0.254  -0.254
  168   2HB   GLU  26          2HB       GLU  26  13.514  -1.282  -1.282
  169   1HG   GLU  26          1HG       GLU  26  14.280   1.254   1.254
  170   2HG   GLU  26          2HG       GLU  26  13.395   1.607   1.607
  171    H    GLU  27           H        GLU  27  12.157  -2.948  -2.948
  172    HA   GLU  27           HA       GLU  27  14.661  -3.286  -3.286
  173   1HB   GLU  27          1HB       GLU  27  13.773  -5.529  -5.529
  174   2HB   GLU  27          2HB       GLU  27  15.378  -5.160  -5.160
  175   1HG   GLU  27          1HG       GLU  27  15.329  -3.046  -3.046
  176   2HG   GLU  27          2HG       GLU  27  13.838  -3.641  -3.641
  177    H    GLY  28           H        GLY  28  11.505  -3.121  -3.121
  178   1HA   GLY  28          1HA       GLY  28  10.143  -3.880  -3.880
  179   2HA   GLY  28          2HA       GLY  28  11.394  -4.985  -4.985
  180    H    ASP  29           H        ASP  29  10.786  -5.162  -5.162
  181    HA   ASP  29           HA       ASP  29  10.058  -7.800  -7.800
  182   1HB   ASP  29          1HB       ASP  29  10.742  -6.030  -6.030
  183   2HB   ASP  29          2HB       ASP  29   9.024  -6.165  -6.165
  184    H    LYS  30           H        LYS  30   8.253  -4.928  -4.928
  185    HA   LYS  30           HA       LYS  30   5.947  -6.273  -6.273
  186   1HB   LYS  30          1HB       LYS  30   6.085  -5.949  -5.949
  187   2HB   LYS  30          2HB       LYS  30   4.915  -4.778  -4.778
  188   1HG   LYS  30          1HG       LYS  30   3.593  -6.478  -6.478
  189   2HG   LYS  30          2HG       LYS  30   4.865  -7.674  -7.674
  190   1HD   LYS  30          1HD       LYS  30   3.826  -6.428  -6.428
  191   2HD   LYS  30          2HD       LYS  30   2.775  -7.560  -7.560
  192   1HE   LYS  30          1HE       LYS  30   3.946  -9.271  -9.271
  193   2HE   LYS  30          2HE       LYS  30   5.386  -8.742  -8.742
  194   1HZ   LYS  30          1HZ       LYS  30   5.073  -8.730  -8.730
  195   2HZ   LYS  30          2HZ       LYS  30   6.242  -7.936  -7.936
  196    H    ALA  31           H        ALA  31   4.228  -4.727  -4.727
  197    HA   ALA  31           HA       ALA  31   5.498  -2.371  -2.371
  198   1HB   ALA  31          2HB       ALA  31   3.667  -4.063  -4.063
  199   2HB   ALA  31          3HB       ALA  31   2.559  -2.869  -2.869
  200   3HB   ALA  31          1HB       ALA  31   3.753  -2.357  -2.357
  201    H    VAL  32           H        VAL  32   5.696  -0.530  -0.530
  202    HA   VAL  32           HA       VAL  32   3.752  -0.074  -0.074
  203    HB   VAL  32           HB       VAL  32   6.205  -0.097  -0.097
  204   1HG1  VAL  32          1HG1      VAL  32   6.128   2.095   2.095
  205   2HG1  VAL  32          2HG1      VAL  32   7.236   2.281   2.281
  206   3HG1  VAL  32          3HG1      VAL  32   7.375   0.863   0.863
  207   1HG2  VAL  32          2HG2      VAL  32   4.407   1.200   1.200
  208   2HG2  VAL  32          3HG2      VAL  32   6.111   1.643   1.643
  209   3HG2  VAL  32          1HG2      VAL  32   5.078   2.654   2.654
  210    H    VAL  33           H        VAL  33   3.016   2.253   2.253
  211    HA   VAL  33           HA       VAL  33   2.226   3.254   3.254
  212    HB   VAL  33           HB       VAL  33   1.257   3.933   3.933
  213   1HG1  VAL  33          2HG1      VAL  33   0.992   5.614   5.614
  214   2HG1  VAL  33          3HG1      VAL  33  -0.269   4.481   4.481
  215   3HG1  VAL  33          1HG1      VAL  33  -0.398   5.260   5.260
  216   1HG2  VAL  33          1HG2      VAL  33   0.863   1.555   1.555
  217   2HG2  VAL  33          2HG2      VAL  33  -0.605   2.489   2.489
  218   3HG2  VAL  33          3HG2      VAL  33  -0.130   2.220   2.220
  219    H    ILE  34           H        ILE  34   2.563   5.439   5.439
  220    HA   ILE  34           HA       ILE  34   4.591   6.818   6.818
  221    HB   ILE  34           HB       ILE  34   4.676   7.544   7.544
  222   1HG1  ILE  34          1HG1      ILE  34   5.211   4.609   4.609
  223   2HG1  ILE  34          2HG1      ILE  34   3.765   5.233   5.233
  224   1HG2  ILE  34          1HG2      ILE  34   6.379   7.513   7.513
  225   2HG2  ILE  34          2HG2      ILE  34   6.913   6.051   6.051
  226   3HG2  ILE  34          3HG2      ILE  34   6.892   7.623   7.623
  227   1HD1  ILE  34          3HD1      ILE  34   6.668   5.641   5.641
  228   2HD1  ILE  34          1HD1      ILE  34   5.510   4.516   4.516
  229   3HD1  ILE  34          2HD1      ILE  34   5.242   6.272   6.272
  230    H    ASN  35           H        ASN  35   1.661   6.979   6.979
  231    HA   ASN  35           HA       ASN  35   1.394   9.748   9.748
  232   1HB   ASN  35          1HB       ASN  35   1.389   8.826   8.826
  233   2HB   ASN  35          2HB       ASN  35  -0.323   8.743   8.743
  234   1HD2  ASN  35          1HD2      ASN  35   1.319  10.504  10.504
  235   2HD2  ASN  35          2HD2      ASN  35   0.912  12.132  12.132
  236    HA   PRO  36           HA       PRO  36  -1.913   7.304   7.304
  237   1HB   PRO  36          1HB       PRO  36  -1.706   8.372   8.372
  238   2HB   PRO  36          2HB       PRO  36  -0.870   6.912   6.912
  239   1HG   PRO  36          1HG       PRO  36   0.223   9.631   9.631
  240   2HG   PRO  36          2HG       PRO  36   1.079   8.103   8.103
  241   1HD   PRO  36          1HD       PRO  36   0.921  10.079  10.079
  242   2HD   PRO  36          2HD       PRO  36   1.679   8.503   8.503
  243    H    ASP  37           H        ASP  37  -2.219   9.502   9.502
  244    HA   ASP  37           HA       ASP  37  -4.740  10.238  10.238
  245   1HB   ASP  37          1HB       ASP  37  -3.852  11.476  11.476
  246   2HB   ASP  37          2HB       ASP  37  -2.674  12.289  12.289
  247    H    SER  38           H        SER  38  -3.216   9.496   9.496
  248    HA   SER  38           HA       SER  38  -2.352  11.729  11.729
  249   1HB   SER  38          1HB       SER  38  -2.129   8.980   8.980
  250   2HB   SER  38          2HB       SER  38  -3.241   9.356   9.356
  251    HG   SER  38           HG       SER  38  -1.277   9.637   9.637
  252    H    ASP  39           H        ASP  39  -3.562  11.338  11.338
  253    HA   ASP  39           HA       ASP  39  -6.349  11.340  11.340
  254   1HB   ASP  39          1HB       ASP  39  -6.899  13.632  13.632
  255   2HB   ASP  39          2HB       ASP  39  -5.667  13.629  13.629
  256    H    LEU  40           H        LEU  40  -4.138  10.167  10.167
  257    HA   LEU  40           HA       LEU  40  -4.315  11.517  11.517
  258   1HB   LEU  40          1HB       LEU  40  -2.709   9.329   9.329
  259   2HB   LEU  40          2HB       LEU  40  -2.179  10.964  10.964
  260    HG   LEU  40           HG       LEU  40  -2.201  10.404  10.404
  261   1HD1  LEU  40          2HD1      LEU  40  -3.781   8.357   8.357
  262   2HD1  LEU  40          3HD1      LEU  40  -2.233   7.495   7.495
  263   3HD1  LEU  40          1HD1      LEU  40  -2.627   8.316   8.316
  264   1HD2  LEU  40          2HD2      LEU  40  -0.321   9.667   9.667
  265   2HD2  LEU  40          3HD2      LEU  40  -0.025  10.172  10.172
  266   3HD2  LEU  40          1HD2      LEU  40  -0.275   8.452   8.452
  267    H    ASP  41           H        ASP  41  -4.072   9.335   9.335
  268    HA   ASP  41           HA       ASP  41  -6.653   8.061   8.061
  269   1HB   ASP  41          1HB       ASP  41  -6.471   9.642   9.642
  270   2HB   ASP  41          2HB       ASP  41  -5.225   8.611   8.611
  271    H    CYS  42           H        CYS  42  -3.393   7.541   7.541
  272    HA   CYS  42           HA       CYS  42  -3.288   5.032   5.032
  273   1HB   CYS  42          1HB       CYS  42  -0.950   4.967   4.967
  274   2HB   CYS  42          2HB       CYS  42  -1.299   6.224   6.224
  275    H    VAL  43           H        VAL  43  -4.980   5.872   5.872
  276    HA   VAL  43           HA       VAL  43  -3.944   3.928   3.928
  277    HB   VAL  43           HB       VAL  43  -6.003   6.104   6.104
  278   1HG1  VAL  43          1HG1      VAL  43  -6.091   3.596   3.596
  279   2HG1  VAL  43          2HG1      VAL  43  -6.258   5.099   5.099
  280   3HG1  VAL  43          3HG1      VAL  43  -7.384   4.754   4.754
  281   1HG2  VAL  43          2HG2      VAL  43  -3.361   5.965   5.965
  282   2HG2  VAL  43          3HG2      VAL  43  -4.545   7.172   7.172
  283   3HG2  VAL  43          1HG2      VAL  43  -4.231   5.719   5.719
  284    H    GLU  44           H        GLU  44  -6.582   4.432   4.432
  285    HA   GLU  44           HA       GLU  44  -8.049   2.194   2.194
  286   1HB   GLU  44          1HB       GLU  44  -8.267   4.249   4.249
  287   2HB   GLU  44          2HB       GLU  44  -8.857   2.683   2.683
  288   1HG   GLU  44          1HG       GLU  44  -9.896   2.930   2.930
  289   2HG   GLU  44          2HG       GLU  44 -10.013   4.558   4.558
  290    H    GLU  45           H        GLU  45  -5.558   2.823   2.823
  291    HA   GLU  45           HA       GLU  45  -5.853   0.197   0.197
  292   1HB   GLU  45          1HB       GLU  45  -4.001   0.851   0.851
  293   2HB   GLU  45          2HB       GLU  45  -5.225   2.104   2.104
  294   1HG   GLU  45          1HG       GLU  45  -3.726   3.084   3.084
  295   2HG   GLU  45          2HG       GLU  45  -2.470   2.101   2.101
  296    H    ALA  46           H        ALA  46  -4.329   1.588   1.588
  297    HA   ALA  46           HA       ALA  46  -2.118  -0.291  -0.291
  298   1HB   ALA  46          1HB       ALA  46  -2.999   2.081   2.081
  299   2HB   ALA  46          2HB       ALA  46  -1.835   0.921   0.921
  300   3HB   ALA  46          3HB       ALA  46  -1.448   1.788   1.788
  301    H    ILE  47           H        ILE  47  -5.429  -0.016  -0.016
  302    HA   ILE  47           HA       ILE  47  -5.027  -2.078  -2.078
  303    HB   ILE  47           HB       ILE  47  -6.983   0.056   0.056
  304   1HG1  ILE  47          1HG1      ILE  47  -7.148  -0.235  -0.235
  305   2HG1  ILE  47          2HG1      ILE  47  -5.768  -1.342  -1.342
  306   1HG2  ILE  47          3HG2      ILE  47  -7.858  -2.731  -2.731
  307   2HG2  ILE  47          1HG2      ILE  47  -8.690  -1.332  -1.332
  308   3HG2  ILE  47          2HG2      ILE  47  -8.630  -1.517  -1.517
  309   1HD1  ILE  47          1HD1      ILE  47  -4.568   0.539   0.539
  310   2HD1  ILE  47          2HD1      ILE  47  -5.936   1.597   1.597
  311   3HD1  ILE  47          3HD1      ILE  47  -4.936   0.886   0.886
  312    H    ASP  48           H        ASP  48  -6.672  -1.400  -1.400
  313    HA   ASP  48           HA       ASP  48  -8.034  -3.810  -3.810
  314   1HB   ASP  48          1HB       ASP  48  -7.936  -1.539  -1.539
  315   2HB   ASP  48          2HB       ASP  48  -7.007  -2.616  -2.616
  316    H    SER  49           H        SER  49  -4.702  -2.790  -2.790
  317    HA   SER  49           HA       SER  49  -4.093  -5.083  -5.083
  318   1HB   SER  49          1HB       SER  49  -2.521  -2.806  -2.806
  319   2HB   SER  49          2HB       SER  49  -1.652  -4.207  -4.207
  320    HG   SER  49           HG       SER  49  -3.485  -2.558  -2.558
  321    H    CYS  50           H        CYS  50  -4.672  -4.580  -4.580
  322    HA   CYS  50           HA       CYS  50  -2.676  -6.435  -6.435
  323   1HB   CYS  50          1HB       CYS  50  -3.204  -4.546  -4.546
  324   2HB   CYS  50          2HB       CYS  50  -4.907  -4.958  -4.958
  325    HA   PRO  51           HA       PRO  51  -5.559  -9.671  -9.671
  326   1HB   PRO  51          1HB       PRO  51  -3.834 -11.759 -11.759
  327   2HB   PRO  51          2HB       PRO  51  -4.005 -10.911 -10.911
  328   1HG   PRO  51          1HG       PRO  51  -1.821 -10.734 -10.734
  329   2HG   PRO  51          2HG       PRO  51  -1.819 -10.242 -10.242
  330   1HD   PRO  51          1HD       PRO  51  -2.029  -8.526  -8.526
  331   2HD   PRO  51          2HD       PRO  51  -2.142  -8.049  -8.049
  332    H    ALA  52           H        ALA  52  -3.549  -9.435  -9.435
  333    HA   ALA  52           HA       ALA  52  -5.253 -11.269 -11.269
  334   1HB   ALA  52          1HB       ALA  52  -2.588 -10.228 -10.228
  335   2HB   ALA  52          2HB       ALA  52  -3.468  -9.819  -9.819
  336   3HB   ALA  52          3HB       ALA  52  -3.356 -11.514 -11.514
  337    H    GLU  53           H        GLU  53  -5.462  -8.062  -8.062
  338    HA   GLU  53           HA       GLU  53  -6.403  -6.232  -6.232
  339   1HB   GLU  53          1HB       GLU  53  -8.798  -6.511  -6.511
  340   2HB   GLU  53          2HB       GLU  53  -8.285  -7.631  -7.631
  341   1HG   GLU  53          1HG       GLU  53  -8.437  -9.511  -9.511
  342   2HG   GLU  53          2HG       GLU  53  -8.293  -8.545  -8.545
  343    H    ALA  54           H        ALA  54  -4.549  -7.310  -7.310
  344    HA   ALA  54           HA       ALA  54  -5.827  -7.291  -7.291
  345   1HB   ALA  54          1HB       ALA  54  -2.916  -7.251  -7.251
  346   2HB   ALA  54          2HB       ALA  54  -3.454  -7.414  -7.414
  347   3HB   ALA  54          3HB       ALA  54  -3.864  -8.673  -8.673
  348    H    ILE  55           H        ILE  55  -4.708  -4.926  -4.926
  349    HA   ILE  55           HA       ILE  55  -4.218  -2.938  -2.938
  350    HB   ILE  55           HB       ILE  55  -2.720  -2.946  -2.946
  351   1HG1  ILE  55          1HG1      ILE  55  -4.439  -0.605  -0.605
  352   2HG1  ILE  55          2HG1      ILE  55  -3.804  -0.731  -0.731
  353   1HG2  ILE  55          3HG2      ILE  55  -5.186  -3.272  -3.272
  354   2HG2  ILE  55          1HG2      ILE  55  -3.907  -2.254  -2.254
  355   3HG2  ILE  55          2HG2      ILE  55  -3.552  -3.935  -3.935
  356   1HD1  ILE  55          2HD1      ILE  55  -1.700  -1.357  -1.357
  357   2HD1  ILE  55          3HD1      ILE  55  -2.486   0.158   0.158
  358   3HD1  ILE  55          1HD1      ILE  55  -1.805   0.015   0.015
  359    H    VAL  56           H        VAL  56  -6.021  -2.220  -2.220
  360    HA   VAL  56           HA       VAL  56  -8.380  -1.718  -1.718
  361    HB   VAL  56           HB       VAL  56  -9.535  -1.644  -1.644
  362   1HG1  VAL  56          1HG1      VAL  56  -8.166  -4.201  -4.201
  363   2HG1  VAL  56          2HG1      VAL  56  -9.509  -4.136  -4.136
  364   3HG1  VAL  56          3HG1      VAL  56  -9.757  -3.588  -3.588
  365   1HG2  VAL  56          3HG2      VAL  56  -7.185  -1.351  -1.351
  366   2HG2  VAL  56          1HG2      VAL  56  -8.498  -2.238  -2.238
  367   3HG2  VAL  56          2HG2      VAL  56  -7.196  -3.130  -3.130
  368    H    ARG  57           H        ARG  57  -9.578   0.302   0.302
  369    HA   ARG  57           HA       ARG  57  -7.704   2.400   2.400
  370   1HB   ARG  57          1HB       ARG  57 -10.226   2.408   2.408
  371   2HB   ARG  57          2HB       ARG  57  -9.376   3.877   3.877
  372   1HG   ARG  57          1HG       ARG  57  -7.354   3.152   3.152
  373   2HG   ARG  57          2HG       ARG  57  -7.988   1.535   1.535
  374   1HD   ARG  57          1HD       ARG  57  -9.295   4.023   4.023
  375   2HD   ARG  57          2HD       ARG  57  -8.118   3.049   3.049
  376    HE   ARG  57           HE       ARG  57  -9.969   1.171   1.171
  377   1HH1  ARG  57          2HH2      ARG  57 -10.252   4.232   4.232
  378   2HH1  ARG  57          1HH2      ARG  57 -11.655   3.735   3.735
  379   1HH2  ARG  57          2HH1      ARG  57 -11.789   0.539   0.539
  380   2HH2  ARG  57          1HH1      ARG  57 -12.559   1.545   1.545
  381    H    SER  58           H        SER  58  -8.750   1.168   1.168
  382    HA   SER  58           HA       SER  58 -11.147   1.670   1.670
  383   1HB   SER  58          1HB       SER  58  -8.517   1.278   1.278
  384   2HB   SER  58          2HB       SER  58  -9.332   2.492   2.492
  385    HG   SER  58           HG       SER  58  -9.796   0.370   0.370

  Start of MODEL    8
    1    HA   PRO   1           HA       PRO   1  -5.231   7.861   7.861
    2   1HB   PRO   1          1HB       PRO   1  -3.039   6.370   6.370
    3   2HB   PRO   1          2HB       PRO   1  -3.085   8.116   8.116
    4   1HG   PRO   1          1HG       PRO   1  -3.237   6.093   6.093
    5   2HG   PRO   1          2HG       PRO   1  -2.857   7.800   7.800
    6   1HD   PRO   1          1HD       PRO   1  -5.343   6.541   6.541
    7   2HD   PRO   1          2HD       PRO   1  -5.000   8.260   8.260
    8    H    ILE   2           H        ILE   2  -4.210   6.005   6.005
    9    HA   ILE   2           HA       ILE   2  -6.299   4.253   4.253
   10    HB   ILE   2           HB       ILE   2  -4.558   2.997   2.997
   11   1HG1  ILE   2          1HG1      ILE   2  -2.731   4.134   4.134
   12   2HG1  ILE   2          2HG1      ILE   2  -2.368   3.548   3.548
   13   1HG2  ILE   2          1HG2      ILE   2  -5.412   5.831   5.831
   14   2HG2  ILE   2          2HG2      ILE   2  -4.184   5.191   5.191
   15   3HG2  ILE   2          3HG2      ILE   2  -5.768   4.391   4.391
   16   1HD1  ILE   2          3HD1      ILE   2  -3.447   6.298   6.298
   17   2HD1  ILE   2          1HD1      ILE   2  -1.923   6.114   6.114
   18   3HD1  ILE   2          2HD1      ILE   2  -1.998   5.668   5.668
   19    H    GLU   3           H        GLU   3  -5.523   1.666   1.666
   20    HA   GLU   3           HA       GLU   3  -4.554   1.001   1.001
   21   1HB   GLU   3          1HB       GLU   3  -7.119   0.998   0.998
   22   2HB   GLU   3          2HB       GLU   3  -6.985  -0.350  -0.350
   23   1HG   GLU   3          1HG       GLU   3  -7.265  -1.370  -1.370
   24   2HG   GLU   3          2HG       GLU   3  -5.552  -1.524  -1.524
   25    H    VAL   4           H        VAL   4  -3.586  -1.147  -1.147
   26    HA   VAL   4           HA       VAL   4  -3.439  -2.759  -2.759
   27    HB   VAL   4           HB       VAL   4  -1.839  -1.247  -1.247
   28   1HG1  VAL   4          3HG1      VAL   4  -0.799  -1.126  -1.126
   29   2HG1  VAL   4          1HG1      VAL   4   0.064  -0.436  -0.436
   30   3HG1  VAL   4          2HG1      VAL   4  -1.546   0.181   0.181
   31   1HG2  VAL   4          2HG2      VAL   4  -1.106  -3.650  -3.650
   32   2HG2  VAL   4          3HG2      VAL   4   0.228  -2.472  -2.472
   33   3HG2  VAL   4          1HG2      VAL   4  -0.182  -3.290  -3.290
   34    H    ASN   5           H        ASN   5  -4.136  -4.515  -4.515
   35    HA   ASN   5           HA       ASN   5  -3.510  -5.032  -5.032
   36   1HB   ASN   5          1HB       ASN   5  -3.776  -7.565  -7.565
   37   2HB   ASN   5          2HB       ASN   5  -5.150  -6.482  -6.482
   38   1HD2  ASN   5          1HD2      ASN   5  -6.191  -7.601  -7.601
   39   2HD2  ASN   5          2HD2      ASN   5  -5.756  -7.452  -7.452
   40    H    ASP   6           H        ASP   6  -2.301  -7.550  -7.550
   41    HA   ASP   6           HA       ASP   6   0.411  -6.920  -6.920
   42   1HB   ASP   6          1HB       ASP   6   0.530  -9.118  -9.118
   43   2HB   ASP   6          2HB       ASP   6   0.795  -7.446  -7.446
   44    H    ASP   7           H        ASP   7  -2.230  -9.326  -9.326
   45    HA   ASP   7           HA       ASP   7  -1.117 -11.599 -11.599
   46   1HB   ASP   7          1HB       ASP   7  -3.361 -10.206 -10.206
   47   2HB   ASP   7          2HB       ASP   7  -3.012 -11.919 -11.919
   48    H    CYS   8           H        CYS   8  -1.118  -8.579  -8.579
   49    HA   CYS   8           HA       CYS   8  -0.512  -9.499  -9.499
   50   1HB   CYS   8          1HB       CYS   8  -0.771  -7.262  -7.262
   51   2HB   CYS   8          2HB       CYS   8  -0.163  -6.977  -6.977
   52    H    MET   9           H        MET   9   1.637  -9.623  -9.623
   53    HA   MET   9           HA       MET   9   3.613 -10.708 -10.708
   54   1HB   MET   9          1HB       MET   9   2.587 -11.427 -11.427
   55   2HB   MET   9          2HB       MET   9   4.335 -11.300 -11.300
   56   1HG   MET   9          1HG       MET   9   3.322 -12.738 -12.738
   57   2HG   MET   9          2HG       MET   9   2.875 -13.519 -13.519
   58   1HE   MET   9          3HE       MET   9   3.896 -15.359 -15.359
   59   2HE   MET   9          1HE       MET   9   5.412 -15.808 -15.808
   60   3HE   MET   9          2HE       MET   9   5.426 -15.381 -15.381
   61    H    ALA  10           H        ALA  10   4.007  -9.470  -9.470
   62    HA   ALA  10           HA       ALA  10   5.004  -7.003  -7.003
   63   1HB   ALA  10          1HB       ALA  10   6.779  -8.998  -8.998
   64   2HB   ALA  10          2HB       ALA  10   7.594  -8.124  -8.124
   65   3HB   ALA  10          3HB       ALA  10   6.899  -7.223  -7.223
   66    H    CYS  11           H        CYS  11   3.613  -7.741  -7.741
   67    HA   CYS  11           HA       CYS  11   5.020  -9.015  -9.015
   68   1HB   CYS  11          1HB       CYS  11   2.501  -8.820  -8.820
   69   2HB   CYS  11          2HB       CYS  11   2.638  -7.187  -7.187
   70    H    GLU  12           H        GLU  12   4.414  -5.615  -5.615
   71    HA   GLU  12           HA       GLU  12   5.578  -3.802  -3.802
   72   1HB   GLU  12          1HB       GLU  12   7.550  -5.529  -5.529
   73   2HB   GLU  12          2HB       GLU  12   7.344  -5.106  -5.106
   74   1HG   GLU  12          1HG       GLU  12   7.780  -2.755  -2.755
   75   2HG   GLU  12          2HG       GLU  12   7.686  -2.998  -2.998
   76    H    ALA  13           H        ALA  13   3.523  -5.373  -5.373
   77    HA   ALA  13           HA       ALA  13   3.862  -4.096  -4.096
   78   1HB   ALA  13          3HB       ALA  13   2.456  -6.224  -6.224
   79   2HB   ALA  13          1HB       ALA  13   1.165  -4.999  -4.999
   80   3HB   ALA  13          2HB       ALA  13   2.023  -5.332  -5.332
   81    H    CYS  14           H        CYS  14   1.773  -3.469  -3.469
   82    HA   CYS  14           HA       CYS  14   0.487  -1.256  -1.256
   83   1HB   CYS  14          1HB       CYS  14  -0.175  -0.740  -0.740
   84   2HB   CYS  14          2HB       CYS  14  -0.322  -2.459  -2.459
   85    H    VAL  15           H        VAL  15   3.667  -1.759  -1.759
   86    HA   VAL  15           HA       VAL  15   4.163   1.022   1.022
   87    HB   VAL  15           HB       VAL  15   5.931  -1.430  -1.430
   88   1HG1  VAL  15          3HG1      VAL  15   6.535   1.472   1.472
   89   2HG1  VAL  15          1HG1      VAL  15   7.422   0.191   0.191
   90   3HG1  VAL  15          2HG1      VAL  15   7.473   0.270   0.270
   91   1HG2  VAL  15          2HG2      VAL  15   4.413   0.090   0.090
   92   2HG2  VAL  15          3HG2      VAL  15   4.462  -1.661  -1.661
   93   3HG2  VAL  15          1HG2      VAL  15   5.868  -0.849  -0.849
   94    H    GLU  16           H        GLU  16   4.592  -1.354  -1.354
   95    HA   GLU  16           HA       GLU  16   6.386   0.344   0.344
   96   1HB   GLU  16          1HB       GLU  16   5.636  -2.390  -2.390
   97   2HB   GLU  16          2HB       GLU  16   5.121  -1.728  -1.728
   98   1HG   GLU  16          1HG       GLU  16   7.438  -2.522  -2.522
   99   2HG   GLU  16          2HG       GLU  16   7.402  -0.779  -0.779
  100    H    ILE  17           H        ILE  17   3.069   0.411   0.411
  101    HA   ILE  17           HA       ILE  17   2.513   1.672   1.672
  102    HB   ILE  17           HB       ILE  17   1.227  -0.419  -0.419
  103   1HG1  ILE  17          1HG1      ILE  17   0.726   0.654   0.654
  104   2HG1  ILE  17          2HG1      ILE  17  -0.789   0.351   0.351
  105   1HG2  ILE  17          2HG2      ILE  17   0.698   1.281   1.281
  106   2HG2  ILE  17          3HG2      ILE  17  -0.764   1.452   1.452
  107   3HG2  ILE  17          1HG2      ILE  17  -0.259  -0.156  -0.156
  108   1HD1  ILE  17          2HD1      ILE  17  -0.506   2.793   2.793
  109   2HD1  ILE  17          3HD1      ILE  17   0.701   2.960   2.960
  110   3HD1  ILE  17          1HD1      ILE  17  -0.987   2.565   2.565
  111    H    CYS  18           H        CYS  18   2.686   2.034   2.034
  112    HA   CYS  18           HA       CYS  18   2.391   4.878   4.878
  113   1HB   CYS  18          1HB       CYS  18   0.092   3.727   3.727
  114   2HB   CYS  18          2HB       CYS  18   0.724   3.659   3.659
  115    HA   PRO  19           HA       PRO  19   5.536   3.475   3.475
  116   1HB   PRO  19          1HB       PRO  19   7.676   4.776   4.776
  117   2HB   PRO  19          2HB       PRO  19   7.271   3.112   3.112
  118   1HG   PRO  19          1HG       PRO  19   6.877   5.532   5.532
  119   2HG   PRO  19          2HG       PRO  19   6.881   3.852   3.852
  120   1HD   PRO  19          1HD       PRO  19   4.582   5.530   5.530
  121   2HD   PRO  19          2HD       PRO  19   4.583   3.821   3.821
  122    H    ASP  20           H        ASP  20   3.820   6.100   6.100
  123    HA   ASP  20           HA       ASP  20   5.397   7.729   7.729
  124   1HB   ASP  20          1HB       ASP  20   4.137   8.404   8.404
  125   2HB   ASP  20          2HB       ASP  20   2.852   8.762   8.762
  126    H    VAL  21           H        VAL  21   2.717   5.567   5.567
  127    HA   VAL  21           HA       VAL  21   1.522   6.724   6.724
  128    HB   VAL  21           HB       VAL  21   0.313   4.972   4.972
  129   1HG1  VAL  21          3HG1      VAL  21  -0.492   4.613   4.613
  130   2HG1  VAL  21          1HG1      VAL  21  -1.163   6.259   6.259
  131   3HG1  VAL  21          2HG1      VAL  21  -1.729   4.997   4.997
  132   1HG2  VAL  21          3HG2      VAL  21   0.698   7.345   7.345
  133   2HG2  VAL  21          1HG2      VAL  21  -1.025   6.902   6.902
  134   3HG2  VAL  21          2HG2      VAL  21  -0.305   7.855   7.855
  135    H    PHE  22           H        PHE  22   3.174   4.012   4.012
  136    HA   PHE  22           HA       PHE  22   3.236   2.719   2.719
  137   1HB   PHE  22          1HB       PHE  22   2.711   1.161   1.161
  138   2HB   PHE  22          2HB       PHE  22   2.462   0.611   0.611
  139    HD1  PHE  22          2HD       PHE  22   0.624   1.875   1.875
  140    HD2  PHE  22          1HD       PHE  22   0.901   1.934   1.934
  141    HE1  PHE  22          2HE       PHE  22  -1.795   2.525   2.525
  142    HE2  PHE  22          1HE       PHE  22  -1.519   2.583   2.583
  143    HZ   PHE  22           HZ       PHE  22  -2.839   2.871   2.871
  144    H    GLU  23           H        GLU  23   5.324   2.225   2.225
  145    HA   GLU  23           HA       GLU  23   7.026   1.521   1.521
  146   1HB   GLU  23          1HB       GLU  23   7.848   3.671   3.671
  147   2HB   GLU  23          2HB       GLU  23   7.399   3.751   3.751
  148   1HG   GLU  23          1HG       GLU  23   9.286   2.397   2.397
  149   2HG   GLU  23          2HG       GLU  23   9.620   1.911   1.911
  150    H    MET  24           H        MET  24   8.389  -0.226  -0.226
  151    HA   MET  24           HA       MET  24   7.869  -2.064  -2.064
  152   1HB   MET  24          1HB       MET  24  10.778  -1.323  -1.323
  153   2HB   MET  24          2HB       MET  24  10.109  -2.932  -2.932
  154   1HG   MET  24          1HG       MET  24  10.016  -2.953  -2.953
  155   2HG   MET  24          2HG       MET  24   8.580  -1.969  -1.969
  156   1HE   MET  24          1HE       MET  24  11.583  -2.605  -2.605
  157   2HE   MET  24          2HE       MET  24  11.236  -1.464  -1.464
  158   3HE   MET  24          3HE       MET  24  12.582  -1.146  -1.146
  159    H    ASN  25           H        ASN  25   8.709  -2.803  -2.803
  160    HA   ASN  25           HA       ASN  25   8.731  -0.778  -0.778
  161   1HB   ASN  25          1HB       ASN  25   8.234  -3.357  -3.357
  162   2HB   ASN  25          2HB       ASN  25   9.961  -3.530  -3.530
  163   1HD2  ASN  25          1HD2      ASN  25  10.432  -3.753  -3.753
  164   2HD2  ASN  25          2HD2      ASN  25   9.755  -2.889  -2.889
  165    H    GLU  26           H        GLU  26  11.039  -2.235  -2.235
  166    HA   GLU  26           HA       GLU  26  13.075  -0.453  -0.453
  167   1HB   GLU  26          1HB       GLU  26  12.324  -1.380  -1.380
  168   2HB   GLU  26          2HB       GLU  26  13.727  -2.380  -2.380
  169   1HG   GLU  26          1HG       GLU  26  14.287   0.369   0.369
  170   2HG   GLU  26          2HG       GLU  26  13.693   0.344   0.344
  171    H    GLU  27           H        GLU  27  12.163  -3.798  -3.798
  172    HA   GLU  27           HA       GLU  27  14.575  -4.186  -4.186
  173   1HB   GLU  27          1HB       GLU  27  13.709  -6.429  -6.429
  174   2HB   GLU  27          2HB       GLU  27  15.264  -6.177  -6.177
  175   1HG   GLU  27          1HG       GLU  27  15.601  -4.131  -4.131
  176   2HG   GLU  27          2HG       GLU  27  14.099  -4.508  -4.508
  177    H    GLY  28           H        GLY  28  11.464  -3.846  -3.846
  178   1HA   GLY  28          1HA       GLY  28  10.060  -4.490  -4.490
  179   2HA   GLY  28          2HA       GLY  28  11.146  -5.797  -5.797
  180    H    ASP  29           H        ASP  29  10.511  -5.627  -5.627
  181    HA   ASP  29           HA       ASP  29   9.419  -8.137  -8.137
  182   1HB   ASP  29          1HB       ASP  29  10.329  -6.320  -6.320
  183   2HB   ASP  29          2HB       ASP  29   8.606  -6.209  -6.209
  184    H    LYS  30           H        LYS  30   8.020  -5.019  -5.019
  185    HA   LYS  30           HA       LYS  30   5.572  -6.068  -6.068
  186   1HB   LYS  30          1HB       LYS  30   4.070  -5.155  -5.155
  187   2HB   LYS  30          2HB       LYS  30   5.082  -6.450  -6.450
  188   1HG   LYS  30          1HG       LYS  30   6.524  -4.933  -4.933
  189   2HG   LYS  30          2HG       LYS  30   5.928  -3.544  -3.544
  190   1HD   LYS  30          1HD       LYS  30   3.585  -4.486  -4.486
  191   2HD   LYS  30          2HD       LYS  30   4.744  -4.943  -4.943
  192   1HE   LYS  30          1HE       LYS  30   4.857  -2.802  -2.802
  193   2HE   LYS  30          2HE       LYS  30   5.370  -2.255  -2.255
  194   1HZ   LYS  30          1HZ       LYS  30   3.215  -1.687  -1.687
  195   2HZ   LYS  30          2HZ       LYS  30   2.535  -2.848  -2.848
  196    H    ALA  31           H        ALA  31   4.035  -4.274  -4.274
  197    HA   ALA  31           HA       ALA  31   5.647  -2.078  -2.078
  198   1HB   ALA  31          1HB       ALA  31   4.116  -3.346  -3.346
  199   2HB   ALA  31          2HB       ALA  31   2.736  -2.831  -2.831
  200   3HB   ALA  31          3HB       ALA  31   3.678  -1.623  -1.623
  201    H    VAL  32           H        VAL  32   5.998  -0.443  -0.443
  202    HA   VAL  32           HA       VAL  32   4.000   0.167   0.167
  203    HB   VAL  32           HB       VAL  32   6.657   1.441   1.441
  204   1HG1  VAL  32          2HG1      VAL  32   4.564   2.088   2.088
  205   2HG1  VAL  32          3HG1      VAL  32   6.247   2.090   2.090
  206   3HG1  VAL  32          1HG1      VAL  32   5.772   3.135   3.135
  207   1HG2  VAL  32          1HG2      VAL  32   6.740  -0.954  -0.954
  208   2HG2  VAL  32          2HG2      VAL  32   7.580   0.182   0.182
  209   3HG2  VAL  32          3HG2      VAL  32   5.977  -0.451  -0.451
  210    H    VAL  33           H        VAL  33   2.975   2.277   2.277
  211    HA   VAL  33           HA       VAL  33   2.282   3.347   3.347
  212    HB   VAL  33           HB       VAL  33   1.204   3.795   3.795
  213   1HG1  VAL  33          3HG1      VAL  33   0.992   5.776   5.776
  214   2HG1  VAL  33          1HG1      VAL  33  -0.053   4.745   4.745
  215   3HG1  VAL  33          2HG1      VAL  33  -0.530   5.136   5.136
  216   1HG2  VAL  33          2HG2      VAL  33   0.822   1.542   1.542
  217   2HG2  VAL  33          3HG2      VAL  33  -0.662   2.446   2.446
  218   3HG2  VAL  33          1HG2      VAL  33  -0.078   2.368   2.368
  219    H    ILE  34           H        ILE  34   2.820   5.382   5.382
  220    HA   ILE  34           HA       ILE  34   4.585   6.915   6.915
  221    HB   ILE  34           HB       ILE  34   4.969   7.682   7.682
  222   1HG1  ILE  34          1HG1      ILE  34   5.199   4.678   4.678
  223   2HG1  ILE  34          2HG1      ILE  34   3.894   5.500   5.500
  224   1HG2  ILE  34          3HG2      ILE  34   6.506   6.555   6.555
  225   2HG2  ILE  34          1HG2      ILE  34   7.193   6.259   6.259
  226   3HG2  ILE  34          2HG2      ILE  34   6.868   7.925   7.925
  227   1HD1  ILE  34          2HD1      ILE  34   5.765   6.627   6.627
  228   2HD1  ILE  34          3HD1      ILE  34   6.880   5.474   5.474
  229   3HD1  ILE  34          1HD1      ILE  34   5.554   4.877   4.877
  230    H    ASN  35           H        ASN  35   1.718   6.863   6.863
  231    HA   ASN  35           HA       ASN  35   1.405   9.709   9.709
  232   1HB   ASN  35          1HB       ASN  35   1.362   8.655   8.655
  233   2HB   ASN  35          2HB       ASN  35  -0.263   8.160   8.160
  234   1HD2  ASN  35          1HD2      ASN  35   0.525   9.998   9.998
  235   2HD2  ASN  35          2HD2      ASN  35  -0.183  11.541  11.541
  236    HA   PRO  36           HA       PRO  36  -1.717   7.690   7.690
  237   1HB   PRO  36          1HB       PRO  36  -1.636   9.468   9.468
  238   2HB   PRO  36          2HB       PRO  36  -0.639   8.028   8.028
  239   1HG   PRO  36          1HG       PRO  36   0.136  10.844  10.844
  240   2HG   PRO  36          2HG       PRO  36   1.161   9.467   9.467
  241   1HD   PRO  36          1HD       PRO  36   0.785  10.712  10.712
  242   2HD   PRO  36          2HD       PRO  36   1.717   9.266   9.266
  243    H    ASP  37           H        ASP  37  -2.010   9.619   9.619
  244    HA   ASP  37           HA       ASP  37  -4.702  10.135  10.135
  245   1HB   ASP  37          1HB       ASP  37  -3.847  11.977  11.977
  246   2HB   ASP  37          2HB       ASP  37  -2.808  12.528  12.528
  247    H    SER  38           H        SER  38  -3.046   8.865   8.865
  248    HA   SER  38           HA       SER  38  -2.084  10.067  10.067
  249   1HB   SER  38          1HB       SER  38  -2.287   7.869   7.869
  250   2HB   SER  38          2HB       SER  38  -3.784   7.687   7.687
  251    HG   SER  38           HG       SER  38  -4.775   7.684   7.684
  252    H    ASP  39           H        ASP  39  -5.526   9.186   9.186
  253    HA   ASP  39           HA       ASP  39  -7.269  10.412  10.412
  254   1HB   ASP  39          1HB       ASP  39  -5.763  12.382  12.382
  255   2HB   ASP  39          2HB       ASP  39  -5.854  13.009  13.009
  256    H    LEU  40           H        LEU  40  -5.032   9.246   9.246
  257    HA   LEU  40           HA       LEU  40  -5.566  10.807  10.807
  258   1HB   LEU  40          1HB       LEU  40  -3.330   9.539   9.539
  259   2HB   LEU  40          2HB       LEU  40  -3.354  11.126  11.126
  260    HG   LEU  40           HG       LEU  40  -3.183   9.761   9.761
  261   1HD1  LEU  40          3HD1      LEU  40  -3.222   7.634   7.634
  262   2HD1  LEU  40          1HD1      LEU  40  -1.485   7.835   7.835
  263   3HD1  LEU  40          2HD1      LEU  40  -2.627   7.599   7.599
  264   1HD2  LEU  40          2HD2      LEU  40  -1.508  11.340  11.340
  265   2HD2  LEU  40          3HD2      LEU  40  -0.955  10.316  10.316
  266   3HD2  LEU  40          1HD2      LEU  40  -0.647   9.817   9.817
  267    H    ASP  41           H        ASP  41  -5.045   9.187   9.187
  268    HA   ASP  41           HA       ASP  41  -6.900   7.031   7.031
  269   1HB   ASP  41          1HB       ASP  41  -6.952   8.721   8.721
  270   2HB   ASP  41          2HB       ASP  41  -5.612   7.801   7.801
  271    H    CYS  42           H        CYS  42  -4.531   6.477   6.477
  272    HA   CYS  42           HA       CYS  42  -3.105   4.704   4.704
  273   1HB   CYS  42          1HB       CYS  42  -1.139   5.309   5.309
  274   2HB   CYS  42          2HB       CYS  42  -1.998   6.740   6.740
  275    H    VAL  43           H        VAL  43  -4.993   5.137   5.137
  276    HA   VAL  43           HA       VAL  43  -4.301   2.634   2.634
  277    HB   VAL  43           HB       VAL  43  -6.836   4.118   4.118
  278   1HG1  VAL  43          1HG1      VAL  43  -5.309   2.050   2.050
  279   2HG1  VAL  43          2HG1      VAL  43  -5.248   3.476   3.476
  280   3HG1  VAL  43          3HG1      VAL  43  -6.819   2.803   2.803
  281   1HG2  VAL  43          1HG2      VAL  43  -4.051   5.168   5.168
  282   2HG2  VAL  43          2HG2      VAL  43  -5.564   6.030   6.030
  283   3HG2  VAL  43          3HG2      VAL  43  -5.233   5.477   5.477
  284    H    GLU  44           H        GLU  44  -6.719   3.836   3.836
  285    HA   GLU  44           HA       GLU  44  -8.336   1.543   1.543
  286   1HB   GLU  44          1HB       GLU  44  -9.165   3.727   3.727
  287   2HB   GLU  44          2HB       GLU  44  -8.074   3.644   3.644
  288   1HG   GLU  44          1HG       GLU  44  -9.511   2.327   2.327
  289   2HG   GLU  44          2HG       GLU  44  -9.628   1.182   1.182
  290    H    GLU  45           H        GLU  45  -5.445   2.479   2.479
  291    HA   GLU  45           HA       GLU  45  -5.724   0.145   0.145
  292   1HB   GLU  45          1HB       GLU  45  -3.772   1.033   1.033
  293   2HB   GLU  45          2HB       GLU  45  -4.986   2.282   2.282
  294   1HG   GLU  45          1HG       GLU  45  -3.637   2.862   2.862
  295   2HG   GLU  45          2HG       GLU  45  -2.338   1.984   1.984
  296    H    ALA  46           H        ALA  46  -4.204   1.174   1.174
  297    HA   ALA  46           HA       ALA  46  -2.088  -0.777  -0.777
  298   1HB   ALA  46          1HB       ALA  46  -3.089   1.134   1.134
  299   2HB   ALA  46          2HB       ALA  46  -1.702   0.040   0.040
  300   3HB   ALA  46          3HB       ALA  46  -1.644   1.312   1.312
  301    H    ILE  47           H        ILE  47  -5.426  -0.507  -0.507
  302    HA   ILE  47           HA       ILE  47  -5.194  -2.831  -2.831
  303    HB   ILE  47           HB       ILE  47  -7.370  -0.910  -0.910
  304   1HG1  ILE  47          1HG1      ILE  47  -6.566  -1.783  -1.783
  305   2HG1  ILE  47          2HG1      ILE  47  -5.585  -0.601  -0.601
  306   1HG2  ILE  47          3HG2      ILE  47  -8.422  -3.107  -3.107
  307   2HG2  ILE  47          1HG2      ILE  47  -7.773  -3.524  -3.524
  308   3HG2  ILE  47          2HG2      ILE  47  -8.970  -2.217  -2.217
  309   1HD1  ILE  47          3HD1      ILE  47  -8.567  -0.393  -0.393
  310   2HD1  ILE  47          1HD1      ILE  47  -7.265   0.501   0.501
  311   3HD1  ILE  47          2HD1      ILE  47  -7.616   0.815   0.815
  312    H    ASP  48           H        ASP  48  -6.718  -1.928  -1.928
  313    HA   ASP  48           HA       ASP  48  -7.857  -4.361  -4.361
  314   1HB   ASP  48          1HB       ASP  48  -7.564  -1.939  -1.939
  315   2HB   ASP  48          2HB       ASP  48  -6.637  -3.020  -3.020
  316    H    SER  49           H        SER  49  -4.520  -3.110  -3.110
  317    HA   SER  49           HA       SER  49  -3.692  -5.355  -5.355
  318   1HB   SER  49          1HB       SER  49  -2.232  -3.068  -3.068
  319   2HB   SER  49          2HB       SER  49  -1.355  -4.360  -4.360
  320    HG   SER  49           HG       SER  49  -1.651  -3.249  -3.249
  321    H    CYS  50           H        CYS  50  -4.121  -4.616  -4.616
  322    HA   CYS  50           HA       CYS  50  -2.237  -6.626  -6.626
  323   1HB   CYS  50          1HB       CYS  50  -2.328  -4.686  -4.686
  324   2HB   CYS  50          2HB       CYS  50  -4.077  -4.736  -4.736
  325    HA   PRO  51           HA       PRO  51  -5.533  -9.546  -9.546
  326   1HB   PRO  51          1HB       PRO  51  -4.024 -11.798 -11.798
  327   2HB   PRO  51          2HB       PRO  51  -4.253 -11.030 -11.030
  328   1HG   PRO  51          1HG       PRO  51  -1.873 -10.990 -10.990
  329   2HG   PRO  51          2HG       PRO  51  -1.986 -10.607 -10.607
  330   1HD   PRO  51          1HD       PRO  51  -1.771  -8.740  -8.740
  331   2HD   PRO  51          2HD       PRO  51  -2.001  -8.357  -8.357
  332    H    ALA  52           H        ALA  52  -3.260  -9.318  -9.318
  333    HA   ALA  52           HA       ALA  52  -4.917 -10.916 -10.916
  334   1HB   ALA  52          2HB       ALA  52  -2.242 -10.317 -10.317
  335   2HB   ALA  52          3HB       ALA  52  -2.800  -9.193  -9.193
  336   3HB   ALA  52          1HB       ALA  52  -3.078 -10.943 -10.943
  337    H    GLU  53           H        GLU  53  -5.108  -7.798  -7.798
  338    HA   GLU  53           HA       GLU  53  -5.861  -5.852  -5.852
  339   1HB   GLU  53          1HB       GLU  53  -8.252  -5.948  -5.948
  340   2HB   GLU  53          2HB       GLU  53  -7.815  -7.250  -7.250
  341   1HG   GLU  53          1HG       GLU  53  -7.666  -8.194  -8.194
  342   2HG   GLU  53          2HG       GLU  53  -9.227  -7.447  -7.447
  343    H    ALA  54           H        ALA  54  -4.020  -6.534  -6.534
  344    HA   ALA  54           HA       ALA  54  -5.209  -6.717  -6.717
  345   1HB   ALA  54          3HB       ALA  54  -2.585  -6.948  -6.948
  346   2HB   ALA  54          1HB       ALA  54  -2.511  -5.930  -5.930
  347   3HB   ALA  54          2HB       ALA  54  -3.158  -7.586  -7.586
  348    H    ILE  55           H        ILE  55  -4.355  -4.197  -4.197
  349    HA   ILE  55           HA       ILE  55  -4.337  -2.180  -2.180
  350    HB   ILE  55           HB       ILE  55  -3.897  -0.671  -0.671
  351   1HG1  ILE  55          1HG1      ILE  55  -3.084  -3.141  -3.141
  352   2HG1  ILE  55          2HG1      ILE  55  -4.766  -2.574  -2.574
  353   1HG2  ILE  55          1HG2      ILE  55  -2.223  -2.283  -2.283
  354   2HG2  ILE  55          2HG2      ILE  55  -1.597  -2.418  -2.418
  355   3HG2  ILE  55          3HG2      ILE  55  -1.784  -0.816  -0.816
  356   1HD1  ILE  55          1HD1      ILE  55  -3.844  -0.306  -0.306
  357   2HD1  ILE  55          2HD1      ILE  55  -2.223  -1.040  -1.040
  358   3HD1  ILE  55          3HD1      ILE  55  -3.483  -1.602  -1.602
  359    H    VAL  56           H        VAL  56  -6.069  -0.924  -0.924
  360    HA   VAL  56           HA       VAL  56  -8.267  -0.822  -0.822
  361    HB   VAL  56           HB       VAL  56  -9.827  -1.151  -1.151
  362   1HG1  VAL  56          2HG1      VAL  56  -8.169  -3.340  -3.340
  363   2HG1  VAL  56          3HG1      VAL  56  -9.452  -3.723  -3.723
  364   3HG1  VAL  56          1HG1      VAL  56  -9.852  -2.867  -2.867
  365   1HG2  VAL  56          1HG2      VAL  56  -7.206  -1.783  -1.783
  366   2HG2  VAL  56          2HG2      VAL  56  -8.689  -1.093  -1.093
  367   3HG2  VAL  56          3HG2      VAL  56  -8.579  -2.845  -2.845
  368    H    ARG  57           H        ARG  57  -9.840   0.962   0.962
  369    HA   ARG  57           HA       ARG  57  -8.371   3.043   3.043
  370   1HB   ARG  57          1HB       ARG  57  -9.560   4.673   4.673
  371   2HB   ARG  57          2HB       ARG  57  -8.478   3.592   3.592
  372   1HG   ARG  57          1HG       ARG  57 -10.224   2.376   2.376
  373   2HG   ARG  57          2HG       ARG  57 -11.340   2.708   2.708
  374   1HD   ARG  57          1HD       ARG  57 -12.246   4.193   4.193
  375   2HD   ARG  57          2HD       ARG  57 -10.987   5.255   5.255
  376    HE   ARG  57           HE       ARG  57  -9.807   4.996   4.996
  377   1HH1  ARG  57          2HH2      ARG  57 -12.437   2.627   2.627
  378   2HH1  ARG  57          1HH2      ARG  57 -12.272   2.151   2.151
  379   1HH2  ARG  57          2HH1      ARG  57  -9.603   4.369   4.369
  380   2HH2  ARG  57          1HH1      ARG  57 -10.590   3.187   3.187
  381    H    SER  58           H        SER  58  -9.997   1.337   1.337
  382    HA   SER  58           HA       SER  58 -12.598   1.615   1.615
  383   1HB   SER  58          1HB       SER  58 -10.637   0.715   0.715
  384   2HB   SER  58          2HB       SER  58 -11.213   2.092   2.092
  385    HG   SER  58           HG       SER  58 -13.184   1.165   1.165

  Start of MODEL    9
    1    HA   PRO   1           HA       PRO   1  -7.909   6.050   6.050
    2   1HB   PRO   1          1HB       PRO   1  -6.179   6.694   6.694
    3   2HB   PRO   1          2HB       PRO   1  -7.257   7.857   7.857
    4   1HG   PRO   1          1HG       PRO   1  -4.341   7.538   7.538
    5   2HG   PRO   1          2HG       PRO   1  -5.350   8.918   8.918
    6   1HD   PRO   1          1HD       PRO   1  -4.283   7.004   7.004
    7   2HD   PRO   1          2HD       PRO   1  -5.386   8.316   8.316
    8    H    ILE   2           H        ILE   2  -4.832   5.419   5.419
    9    HA   ILE   2           HA       ILE   2  -5.459   2.971   2.971
   10    HB   ILE   2           HB       ILE   2  -3.126   2.596   2.596
   11   1HG1  ILE   2          1HG1      ILE   2  -2.460   3.044   3.044
   12   2HG1  ILE   2          2HG1      ILE   2  -1.386   3.802   3.802
   13   1HG2  ILE   2          1HG2      ILE   2  -4.402   5.085   5.085
   14   2HG2  ILE   2          2HG2      ILE   2  -2.666   5.363   5.363
   15   3HG2  ILE   2          3HG2      ILE   2  -3.195   4.166   4.166
   16   1HD1  ILE   2          2HD1      ILE   2  -3.023   5.867   5.867
   17   2HD1  ILE   2          3HD1      ILE   2  -3.403   5.040   5.040
   18   3HD1  ILE   2          1HD1      ILE   2  -1.731   5.541   5.541
   19    H    GLU   3           H        GLU   3  -4.517   0.769   0.769
   20    HA   GLU   3           HA       GLU   3  -4.082   0.395   0.395
   21   1HB   GLU   3          1HB       GLU   3  -6.690   0.706   0.706
   22   2HB   GLU   3          2HB       GLU   3  -6.621  -0.937  -0.937
   23   1HG   GLU   3          1HG       GLU   3  -6.941  -1.425  -1.425
   24   2HG   GLU   3          2HG       GLU   3  -5.192  -1.324  -1.324
   25    H    VAL   4           H        VAL   4  -3.234  -1.711  -1.711
   26    HA   VAL   4           HA       VAL   4  -2.927  -3.348  -3.348
   27    HB   VAL   4           HB       VAL   4  -1.033  -2.274  -2.274
   28   1HG1  VAL   4          3HG1      VAL   4  -0.979  -5.254  -5.254
   29   2HG1  VAL   4          1HG1      VAL   4   0.404  -4.326  -4.326
   30   3HG1  VAL   4          2HG1      VAL   4  -1.089  -4.460  -4.460
   31   1HG2  VAL   4          2HG2      VAL   4  -1.238  -2.553  -2.553
   32   2HG2  VAL   4          3HG2      VAL   4   0.214  -2.040  -2.040
   33   3HG2  VAL   4          1HG2      VAL   4   0.009  -3.748  -3.748
   34    H    ASN   5           H        ASN   5  -2.838  -5.700  -5.700
   35    HA   ASN   5           HA       ASN   5  -4.683  -6.399  -6.399
   36   1HB   ASN   5          1HB       ASN   5  -4.501  -7.217  -7.217
   37   2HB   ASN   5          2HB       ASN   5  -3.525  -8.470  -8.470
   38   1HD2  ASN   5          1HD2      ASN   5  -6.594  -7.508  -7.508
   39   2HD2  ASN   5          2HD2      ASN   5  -7.542  -8.584  -8.584
   40    H    ASP   6           H        ASP   6  -3.572  -9.287  -9.287
   41    HA   ASP   6           HA       ASP   6  -1.176  -8.819  -8.819
   42   1HB   ASP   6          1HB       ASP   6  -3.118  -9.511  -9.511
   43   2HB   ASP   6          2HB       ASP   6  -3.349 -10.928 -10.928
   44    H    ASP   7           H        ASP   7  -3.112 -11.018 -11.018
   45    HA   ASP   7           HA       ASP   7  -1.207 -13.004 -13.004
   46   1HB   ASP   7          1HB       ASP   7  -3.478 -12.039 -12.039
   47   2HB   ASP   7          2HB       ASP   7  -2.461 -13.376 -13.376
   48    H    CYS   8           H        CYS   8  -1.717  -9.846  -9.846
   49    HA   CYS   8           HA       CYS   8  -0.354 -10.069 -10.069
   50   1HB   CYS   8          1HB       CYS   8  -1.223  -7.970  -7.970
   51   2HB   CYS   8          2HB       CYS   8  -0.781  -7.853  -7.853
   52    H    MET   9           H        MET   9   1.857 -10.065 -10.065
   53    HA   MET   9           HA       MET   9   3.686 -10.610 -10.610
   54   1HB   MET   9          1HB       MET   9   3.662 -11.395 -11.395
   55   2HB   MET   9          2HB       MET   9   5.075 -11.643 -11.643
   56   1HG   MET   9          1HG       MET   9   3.975 -13.244 -13.244
   57   2HG   MET   9          2HG       MET   9   2.378 -12.693 -12.693
   58   1HE   MET   9          1HE       MET   9   2.636 -15.233 -15.233
   59   2HE   MET   9          2HE       MET   9   1.832 -15.858 -15.858
   60   3HE   MET   9          3HE       MET   9   3.519 -16.305 -16.305
   61    H    ALA  10           H        ALA  10   3.996  -9.404  -9.404
   62    HA   ALA  10           HA       ALA  10   4.649  -6.837  -6.837
   63   1HB   ALA  10          1HB       ALA  10   6.917  -8.657  -8.657
   64   2HB   ALA  10          2HB       ALA  10   7.288  -7.125  -7.125
   65   3HB   ALA  10          3HB       ALA  10   6.405  -7.113  -7.113
   66    H    CYS  11           H        CYS  11   3.414  -7.601  -7.601
   67    HA   CYS  11           HA       CYS  11   4.955  -8.754  -8.754
   68   1HB   CYS  11          1HB       CYS  11   2.223  -7.882  -7.882
   69   2HB   CYS  11          2HB       CYS  11   2.804  -7.372  -7.372
   70    H    GLU  12           H        GLU  12   4.211  -5.463  -5.463
   71    HA   GLU  12           HA       GLU  12   5.089  -3.525  -3.525
   72   1HB   GLU  12          1HB       GLU  12   7.126  -4.988  -4.988
   73   2HB   GLU  12          2HB       GLU  12   7.268  -3.335  -3.335
   74   1HG   GLU  12          1HG       GLU  12   8.063  -4.009  -4.009
   75   2HG   GLU  12          2HG       GLU  12   6.709  -5.096  -5.096
   76    H    ALA  13           H        ALA  13   3.309  -5.277  -5.277
   77    HA   ALA  13           HA       ALA  13   3.718  -4.026  -4.026
   78   1HB   ALA  13          1HB       ALA  13   2.426  -6.254  -6.254
   79   2HB   ALA  13          2HB       ALA  13   1.047  -5.141  -5.141
   80   3HB   ALA  13          3HB       ALA  13   2.096  -5.474  -5.474
   81    H    CYS  14           H        CYS  14   1.675  -3.402  -3.402
   82    HA   CYS  14           HA       CYS  14   0.052  -1.471  -1.471
   83   1HB   CYS  14          1HB       CYS  14  -0.358  -0.730  -0.730
   84   2HB   CYS  14          2HB       CYS  14  -0.612  -2.442  -2.442
   85    H    VAL  15           H        VAL  15   3.260  -1.362  -1.362
   86    HA   VAL  15           HA       VAL  15   3.436   1.475   1.475
   87    HB   VAL  15           HB       VAL  15   5.619   1.168   1.168
   88   1HG1  VAL  15          1HG1      VAL  15   3.338  -0.134  -0.134
   89   2HG1  VAL  15          2HG1      VAL  15   4.768  -1.132  -1.132
   90   3HG1  VAL  15          3HG1      VAL  15   4.735   0.579   0.579
   91   1HG2  VAL  15          3HG2      VAL  15   6.130  -0.709  -0.709
   92   2HG2  VAL  15          1HG2      VAL  15   6.945  -0.740  -0.740
   93   3HG2  VAL  15          2HG2      VAL  15   5.556  -1.810  -1.810
   94    H    GLU  16           H        GLU  16   4.244  -1.244  -1.244
   95    HA   GLU  16           HA       GLU  16   6.031   0.140   0.140
   96   1HB   GLU  16          1HB       GLU  16   4.779  -2.445  -2.445
   97   2HB   GLU  16          2HB       GLU  16   4.560  -1.808  -1.808
   98   1HG   GLU  16          1HG       GLU  16   7.180  -1.129  -1.129
   99   2HG   GLU  16          2HG       GLU  16   7.089  -2.549  -2.549
  100    H    ILE  17           H        ILE  17   2.474  -0.007  -0.007
  101    HA   ILE  17           HA       ILE  17   2.241   1.401   1.401
  102    HB   ILE  17           HB       ILE  17   0.706  -0.471  -0.471
  103   1HG1  ILE  17          1HG1      ILE  17   0.687   0.011   0.011
  104   2HG1  ILE  17          2HG1      ILE  17  -0.975   0.041   0.041
  105   1HG2  ILE  17          2HG2      ILE  17  -0.071   1.085   1.085
  106   2HG2  ILE  17          3HG2      ILE  17  -0.649   2.204   2.204
  107   3HG2  ILE  17          1HG2      ILE  17  -1.408   0.604   0.604
  108   1HD1  ILE  17          3HD1      ILE  17   0.053   2.684   2.684
  109   2HD1  ILE  17          1HD1      ILE  17   0.547   2.110   2.110
  110   3HD1  ILE  17          2HD1      ILE  17  -1.174   2.108   2.108
  111    H    CYS  18           H        CYS  18   1.787   1.929   1.929
  112    HA   CYS  18           HA       CYS  18   1.729   4.793   4.793
  113   1HB   CYS  18          1HB       CYS  18  -0.465   3.639   3.639
  114   2HB   CYS  18          2HB       CYS  18   0.325   3.675   3.675
  115    HA   PRO  19           HA       PRO  19   5.201   3.710   3.710
  116   1HB   PRO  19          1HB       PRO  19   7.183   4.947   4.947
  117   2HB   PRO  19          2HB       PRO  19   6.788   3.249   3.249
  118   1HG   PRO  19          1HG       PRO  19   6.165   5.503   5.503
  119   2HG   PRO  19          2HG       PRO  19   6.166   3.785   3.785
  120   1HD   PRO  19          1HD       PRO  19   3.869   5.447   5.447
  121   2HD   PRO  19          2HD       PRO  19   3.879   3.709   3.709
  122    H    ASP  20           H        ASP  20   3.422   6.301   6.301
  123    HA   ASP  20           HA       ASP  20   5.102   8.076   8.076
  124   1HB   ASP  20          1HB       ASP  20   3.442   8.444   8.444
  125   2HB   ASP  20          2HB       ASP  20   2.545   9.178   9.178
  126    H    VAL  21           H        VAL  21   2.479   5.874   5.874
  127    HA   VAL  21           HA       VAL  21   1.412   7.273   7.273
  128    HB   VAL  21           HB       VAL  21   0.140   5.352   5.352
  129   1HG1  VAL  21          2HG1      VAL  21  -0.509   4.786   4.786
  130   2HG1  VAL  21          3HG1      VAL  21  -1.074   6.458   6.458
  131   3HG1  VAL  21          1HG1      VAL  21  -1.872   5.405   5.405
  132   1HG2  VAL  21          2HG2      VAL  21   0.272   7.740   7.740
  133   2HG2  VAL  21          3HG2      VAL  21  -1.400   7.175   7.175
  134   3HG2  VAL  21          1HG2      VAL  21  -0.624   8.181   8.181
  135    H    PHE  22           H        PHE  22   3.077   4.471   4.471
  136    HA   PHE  22           HA       PHE  22   3.258   3.439   3.439
  137   1HB   PHE  22          1HB       PHE  22   2.711   1.748   1.748
  138   2HB   PHE  22          2HB       PHE  22   2.752   1.159   1.159
  139    HD1  PHE  22          2HD       PHE  22   1.006   2.350   2.350
  140    HD2  PHE  22          1HD       PHE  22   0.651   2.153   2.153
  141    HE1  PHE  22          2HE       PHE  22  -1.469   2.713   2.713
  142    HE2  PHE  22          1HE       PHE  22  -1.825   2.516   2.516
  143    HZ   PHE  22           HZ       PHE  22  -2.855   2.792   2.792
  144    H    GLU  23           H        GLU  23   5.254   2.467   2.467
  145    HA   GLU  23           HA       GLU  23   7.038   2.002   2.002
  146   1HB   GLU  23          1HB       GLU  23   7.688   4.242   4.242
  147   2HB   GLU  23          2HB       GLU  23   7.453   4.132   4.132
  148   1HG   GLU  23          1HG       GLU  23   9.454   2.191   2.191
  149   2HG   GLU  23          2HG       GLU  23   9.891   3.833   3.833
  150    H    MET  24           H        MET  24   8.304   0.202   0.202
  151    HA   MET  24           HA       MET  24   7.780  -1.573  -1.573
  152   1HB   MET  24          1HB       MET  24  10.664  -1.028  -1.028
  153   2HB   MET  24          2HB       MET  24   9.928  -2.587  -2.587
  154   1HG   MET  24          1HG       MET  24   9.597  -2.702  -2.702
  155   2HG   MET  24          2HG       MET  24   8.273  -1.584  -1.584
  156   1HE   MET  24          2HE       MET  24  10.044  -2.252  -2.252
  157   2HE   MET  24          3HE       MET  24   9.100  -0.831  -0.831
  158   3HE   MET  24          1HE       MET  24  10.871  -0.834  -0.834
  159    H    ASN  25           H        ASN  25   8.766  -2.300  -2.300
  160    HA   ASN  25           HA       ASN  25   9.103  -0.193  -0.193
  161   1HB   ASN  25          1HB       ASN  25   8.382  -2.717  -2.717
  162   2HB   ASN  25          2HB       ASN  25  10.100  -3.020  -3.020
  163   1HD2  ASN  25          1HD2      ASN  25  10.700  -3.133  -3.133
  164   2HD2  ASN  25          2HD2      ASN  25  10.149  -2.162  -2.162
  165    H    GLU  26           H        GLU  26  11.357  -1.706  -1.706
  166    HA   GLU  26           HA       GLU  26  13.473  -0.185  -0.185
  167   1HB   GLU  26          1HB       GLU  26  12.875  -1.079  -1.079
  168   2HB   GLU  26          2HB       GLU  26  14.051  -2.293  -2.293
  169   1HG   GLU  26          1HG       GLU  26  15.451  -0.161  -0.161
  170   2HG   GLU  26          2HG       GLU  26  14.426   0.689   0.689
  171    H    GLU  27           H        GLU  27  12.274  -3.467  -3.467
  172    HA   GLU  27           HA       GLU  27  14.480  -3.969  -3.969
  173   1HB   GLU  27          1HB       GLU  27  13.624  -6.259  -6.259
  174   2HB   GLU  27          2HB       GLU  27  15.163  -5.981  -5.981
  175   1HG   GLU  27          1HG       GLU  27  15.573  -4.053  -4.053
  176   2HG   GLU  27          2HG       GLU  27  14.093  -4.485  -4.485
  177    H    GLY  28           H        GLY  28  11.351  -3.440  -3.440
  178   1HA   GLY  28          1HA       GLY  28   9.649  -3.916  -3.916
  179   2HA   GLY  28          2HA       GLY  28  10.677  -5.050  -5.050
  180    H    ASP  29           H        ASP  29  10.307  -5.301  -5.301
  181    HA   ASP  29           HA       ASP  29   9.293  -7.926  -7.926
  182   1HB   ASP  29          1HB       ASP  29  10.771  -6.637  -6.637
  183   2HB   ASP  29          2HB       ASP  29   9.189  -6.610  -6.610
  184    H    LYS  30           H        LYS  30   7.966  -4.754  -4.754
  185    HA   LYS  30           HA       LYS  30   5.316  -5.697  -5.697
  186   1HB   LYS  30          1HB       LYS  30   4.528  -4.609  -4.609
  187   2HB   LYS  30          2HB       LYS  30   5.539  -6.013  -6.013
  188   1HG   LYS  30          1HG       LYS  30   7.237  -3.665  -3.665
  189   2HG   LYS  30          2HG       LYS  30   5.943  -3.337  -3.337
  190   1HD   LYS  30          1HD       LYS  30   6.728  -5.965  -5.965
  191   2HD   LYS  30          2HD       LYS  30   8.242  -5.164  -5.164
  192   1HE   LYS  30          1HE       LYS  30   8.098  -4.541  -4.541
  193   2HE   LYS  30          2HE       LYS  30   7.115  -3.223  -3.223
  194   1HZ   LYS  30          1HZ       LYS  30   5.940  -4.272  -4.272
  195   2HZ   LYS  30          2HZ       LYS  30   5.162  -4.697  -4.697
  196    H    ALA  31           H        ALA  31   4.810  -4.465  -4.465
  197    HA   ALA  31           HA       ALA  31   5.914  -2.095  -2.095
  198   1HB   ALA  31          3HB       ALA  31   3.777  -3.760  -3.760
  199   2HB   ALA  31          1HB       ALA  31   3.075  -2.134  -2.134
  200   3HB   ALA  31          2HB       ALA  31   4.468  -2.386  -2.386
  201    H    VAL  32           H        VAL  32   6.076  -0.155  -0.155
  202    HA   VAL  32           HA       VAL  32   4.169   0.448   0.448
  203    HB   VAL  32           HB       VAL  32   6.717   1.823   1.823
  204   1HG1  VAL  32          1HG1      VAL  32   4.825   2.296   2.296
  205   2HG1  VAL  32          2HG1      VAL  32   6.530   2.805   2.805
  206   3HG1  VAL  32          3HG1      VAL  32   5.446   3.462   3.462
  207   1HG2  VAL  32          3HG2      VAL  32   7.104  -0.460  -0.460
  208   2HG2  VAL  32          1HG2      VAL  32   7.747   0.772   0.772
  209   3HG2  VAL  32          2HG2      VAL  32   6.218  -0.056  -0.056
  210    H    VAL  33           H        VAL  33   3.529   2.907   2.907
  211    HA   VAL  33           HA       VAL  33   2.643   3.644   3.644
  212    HB   VAL  33           HB       VAL  33   1.357   4.059   4.059
  213   1HG1  VAL  33          3HG1      VAL  33   1.166   5.753   5.753
  214   2HG1  VAL  33          1HG1      VAL  33  -0.281   4.722   4.722
  215   3HG1  VAL  33          2HG1      VAL  33   0.031   5.654   5.654
  216   1HG2  VAL  33          1HG2      VAL  33   1.295   1.824   1.824
  217   2HG2  VAL  33          2HG2      VAL  33   0.009   2.306   2.306
  218   3HG2  VAL  33          3HG2      VAL  33  -0.127   2.715   2.715
  219    H    ILE  34           H        ILE  34   3.207   5.635   5.635
  220    HA   ILE  34           HA       ILE  34   4.845   7.266   7.266
  221    HB   ILE  34           HB       ILE  34   4.910   8.196   8.196
  222   1HG1  ILE  34          1HG1      ILE  34   5.222   5.191   5.191
  223   2HG1  ILE  34          2HG1      ILE  34   4.048   6.077   6.077
  224   1HG2  ILE  34          3HG2      ILE  34   6.640   8.161   8.161
  225   2HG2  ILE  34          1HG2      ILE  34   7.076   6.559   6.559
  226   3HG2  ILE  34          2HG2      ILE  34   7.205   7.998   7.998
  227   1HD1  ILE  34          1HD1      ILE  34   7.088   6.178   6.178
  228   2HD1  ILE  34          2HD1      ILE  34   5.988   5.253   5.253
  229   3HD1  ILE  34          3HD1      ILE  34   5.925   7.032   7.032
  230    H    ASN  35           H        ASN  35   1.864   7.206   7.206
  231    HA   ASN  35           HA       ASN  35   1.373   9.926   9.926
  232   1HB   ASN  35          1HB       ASN  35   1.406   9.228   9.228
  233   2HB   ASN  35          2HB       ASN  35  -0.207   8.635   8.635
  234   1HD2  ASN  35          1HD2      ASN  35   1.275  11.085  11.085
  235   2HD2  ASN  35          2HD2      ASN  35   0.272  12.433  12.433
  236    HA   PRO  36           HA       PRO  36  -1.596   7.201   7.201
  237   1HB   PRO  36          1HB       PRO  36  -1.435   8.353   8.353
  238   2HB   PRO  36          2HB       PRO  36  -0.453   6.985   6.985
  239   1HG   PRO  36          1HG       PRO  36   0.333   9.821   9.821
  240   2HG   PRO  36          2HG       PRO  36   1.355   8.400   8.400
  241   1HD   PRO  36          1HD       PRO  36   0.909  10.287  10.287
  242   2HD   PRO  36          2HD       PRO  36   1.838   8.804   8.804
  243    H    ASP  37           H        ASP  37  -2.162   9.358   9.358
  244    HA   ASP  37           HA       ASP  37  -4.746   9.796   9.796
  245   1HB   ASP  37          1HB       ASP  37  -4.048  11.134  11.134
  246   2HB   ASP  37          2HB       ASP  37  -2.903  12.035  12.035
  247    H    SER  38           H        SER  38  -3.123   9.246   9.246
  248    HA   SER  38           HA       SER  38  -2.477  11.500  11.500
  249   1HB   SER  38          1HB       SER  38  -2.017   8.864   8.864
  250   2HB   SER  38          2HB       SER  38  -3.384   8.991   8.991
  251    HG   SER  38           HG       SER  38  -1.728   9.481   9.481
  252    H    ASP  39           H        ASP  39  -3.756  11.165  11.165
  253    HA   ASP  39           HA       ASP  39  -6.537  11.064  11.064
  254   1HB   ASP  39          1HB       ASP  39  -6.924  13.517  13.517
  255   2HB   ASP  39          2HB       ASP  39  -6.448  13.221  13.221
  256    H    LEU  40           H        LEU  40  -4.304  10.038  10.038
  257    HA   LEU  40           HA       LEU  40  -4.695  11.426  11.426
  258   1HB   LEU  40          1HB       LEU  40  -2.832   9.128   9.128
  259   2HB   LEU  40          2HB       LEU  40  -2.699  10.569  10.569
  260    HG   LEU  40           HG       LEU  40  -2.489  10.743  10.743
  261   1HD1  LEU  40          2HD1      LEU  40  -0.319   9.917   9.917
  262   2HD1  LEU  40          3HD1      LEU  40   0.013  10.604  10.604
  263   3HD1  LEU  40          1HD1      LEU  40  -0.880   9.071   9.071
  264   1HD2  LEU  40          1HD2      LEU  40  -2.600  12.679  12.679
  265   2HD2  LEU  40          2HD2      LEU  40  -1.819  12.861  12.861
  266   3HD2  LEU  40          3HD2      LEU  40  -0.843  12.449  12.449
  267    H    ASP  41           H        ASP  41  -3.947   8.811   8.811
  268    HA   ASP  41           HA       ASP  41  -6.446   7.397   7.397
  269   1HB   ASP  41          1HB       ASP  41  -6.883   8.838   8.838
  270   2HB   ASP  41          2HB       ASP  41  -5.339   8.444   8.444
  271    H    CYS  42           H        CYS  42  -3.266   7.221   7.221
  272    HA   CYS  42           HA       CYS  42  -2.707   4.943   4.943
  273   1HB   CYS  42          1HB       CYS  42  -0.488   5.040   5.040
  274   2HB   CYS  42          2HB       CYS  42  -0.859   6.313   6.313
  275    H    VAL  43           H        VAL  43  -4.084   5.687   5.687
  276    HA   VAL  43           HA       VAL  43  -3.208   3.310   3.310
  277    HB   VAL  43           HB       VAL  43  -5.574   4.967   4.967
  278   1HG1  VAL  43          3HG1      VAL  43  -4.523   2.860   2.860
  279   2HG1  VAL  43          1HG1      VAL  43  -3.376   4.072   4.072
  280   3HG1  VAL  43          2HG1      VAL  43  -5.120   4.255   4.255
  281   1HG2  VAL  43          3HG2      VAL  43  -2.773   5.906   5.906
  282   2HG2  VAL  43          1HG2      VAL  43  -4.300   6.821   6.821
  283   3HG2  VAL  43          2HG2      VAL  43  -3.570   6.297   6.297
  284    H    GLU  44           H        GLU  44  -5.829   4.290   4.290
  285    HA   GLU  44           HA       GLU  44  -7.578   2.223   2.223
  286   1HB   GLU  44          1HB       GLU  44  -7.832   4.471   4.471
  287   2HB   GLU  44          2HB       GLU  44  -7.594   3.333   3.333
  288   1HG   GLU  44          1HG       GLU  44  -9.532   2.066   2.066
  289   2HG   GLU  44          2HG       GLU  44  -9.595   2.723   2.723
  290    H    GLU  45           H        GLU  45  -4.699   2.427   2.427
  291    HA   GLU  45           HA       GLU  45  -5.340   0.003   0.003
  292   1HB   GLU  45          1HB       GLU  45  -2.559   1.075   1.075
  293   2HB   GLU  45          2HB       GLU  45  -3.605   0.546   0.546
  294   1HG   GLU  45          1HG       GLU  45  -5.016   2.710   2.710
  295   2HG   GLU  45          2HG       GLU  45  -3.538   3.235   3.235
  296    H    ALA  46           H        ALA  46  -3.444   1.105   1.105
  297    HA   ALA  46           HA       ALA  46  -1.838  -1.188  -1.188
  298   1HB   ALA  46          1HB       ALA  46  -2.560   1.222   1.222
  299   2HB   ALA  46          2HB       ALA  46  -2.084  -0.190  -0.190
  300   3HB   ALA  46          3HB       ALA  46  -0.974   0.457   0.457
  301    H    ILE  47           H        ILE  47  -5.219  -0.487  -0.487
  302    HA   ILE  47           HA       ILE  47  -5.452  -2.764  -2.764
  303    HB   ILE  47           HB       ILE  47  -7.124  -0.449  -0.449
  304   1HG1  ILE  47          1HG1      ILE  47  -7.671  -1.085  -1.085
  305   2HG1  ILE  47          2HG1      ILE  47  -6.004  -1.677  -1.677
  306   1HG2  ILE  47          2HG2      ILE  47  -8.219  -3.185  -3.185
  307   2HG2  ILE  47          3HG2      ILE  47  -9.054  -1.808  -1.808
  308   3HG2  ILE  47          1HG2      ILE  47  -8.833  -1.855  -1.855
  309   1HD1  ILE  47          2HD1      ILE  47  -6.783   1.054   1.054
  310   2HD1  ILE  47          3HD1      ILE  47  -6.478   0.824   0.824
  311   3HD1  ILE  47          1HD1      ILE  47  -5.193   0.476   0.476
  312    H    ASP  48           H        ASP  48  -6.751  -1.666  -1.666
  313    HA   ASP  48           HA       ASP  48  -8.047  -4.033  -4.033
  314   1HB   ASP  48          1HB       ASP  48  -7.585  -1.562  -1.562
  315   2HB   ASP  48          2HB       ASP  48  -6.883  -2.734  -2.734
  316    H    SER  49           H        SER  49  -4.668  -3.193  -3.193
  317    HA   SER  49           HA       SER  49  -3.955  -5.349  -5.349
  318   1HB   SER  49          1HB       SER  49  -2.251  -3.238  -3.238
  319   2HB   SER  49          2HB       SER  49  -1.615  -4.461  -4.461
  320    HG   SER  49           HG       SER  49  -3.775  -2.888  -2.888
  321    H    CYS  50           H        CYS  50  -4.357  -4.578  -4.578
  322    HA   CYS  50           HA       CYS  50  -2.473  -6.539  -6.539
  323   1HB   CYS  50          1HB       CYS  50  -2.723  -4.629  -4.629
  324   2HB   CYS  50          2HB       CYS  50  -4.471  -4.750  -4.750
  325    HA   PRO  51           HA       PRO  51  -5.600  -9.616  -9.616
  326   1HB   PRO  51          1HB       PRO  51  -3.993 -11.793 -11.793
  327   2HB   PRO  51          2HB       PRO  51  -4.196 -11.014 -11.014
  328   1HG   PRO  51          1HG       PRO  51  -1.897 -10.881 -10.881
  329   2HG   PRO  51          2HG       PRO  51  -1.959 -10.478 -10.478
  330   1HD   PRO  51          1HD       PRO  51  -1.929  -8.637  -8.637
  331   2HD   PRO  51          2HD       PRO  51  -2.107  -8.239  -8.239
  332    H    ALA  52           H        ALA  52  -3.425  -9.366  -9.366
  333    HA   ALA  52           HA       ALA  52  -5.090 -11.049 -11.049
  334   1HB   ALA  52          3HB       ALA  52  -2.625  -9.339  -9.339
  335   2HB   ALA  52          1HB       ALA  52  -3.455 -10.209 -10.209
  336   3HB   ALA  52          2HB       ALA  52  -2.742 -11.114 -11.114
  337    H    GLU  53           H        GLU  53  -5.370  -7.927  -7.927
  338    HA   GLU  53           HA       GLU  53  -6.284  -6.046  -6.046
  339   1HB   GLU  53          1HB       GLU  53  -8.140  -8.128  -8.128
  340   2HB   GLU  53          2HB       GLU  53  -8.590  -7.365  -7.365
  341   1HG   GLU  53          1HG       GLU  53  -9.294  -5.433  -5.433
  342   2HG   GLU  53          2HG       GLU  53  -7.965  -5.433  -5.433
  343    H    ALA  54           H        ALA  54  -4.380  -7.057  -7.057
  344    HA   ALA  54           HA       ALA  54  -5.590  -6.837  -6.837
  345   1HB   ALA  54          1HB       ALA  54  -2.907  -7.375  -7.375
  346   2HB   ALA  54          2HB       ALA  54  -2.917  -6.625  -6.625
  347   3HB   ALA  54          3HB       ALA  54  -3.749  -8.177  -8.177
  348    H    ILE  55           H        ILE  55  -4.285  -4.674  -4.674
  349    HA   ILE  55           HA       ILE  55  -3.942  -2.550  -2.550
  350    HB   ILE  55           HB       ILE  55  -2.842  -3.214  -3.214
  351   1HG1  ILE  55          1HG1      ILE  55  -1.744  -2.656  -2.656
  352   2HG1  ILE  55          2HG1      ILE  55  -0.987  -2.045  -2.045
  353   1HG2  ILE  55          3HG2      ILE  55  -4.129  -0.501  -0.501
  354   2HG2  ILE  55          1HG2      ILE  55  -2.720  -0.775  -0.775
  355   3HG2  ILE  55          2HG2      ILE  55  -4.238  -1.654  -1.654
  356   1HD1  ILE  55          3HD1      ILE  55  -3.041  -0.263  -0.263
  357   2HD1  ILE  55          1HD1      ILE  55  -1.608  -0.537  -0.537
  358   3HD1  ILE  55          2HD1      ILE  55  -1.419   0.127   0.127
  359    H    VAL  56           H        VAL  56  -5.749  -1.501  -1.501
  360    HA   VAL  56           HA       VAL  56  -7.708  -0.906  -0.906
  361    HB   VAL  56           HB       VAL  56  -9.422  -1.041  -1.041
  362   1HG1  VAL  56          1HG1      VAL  56  -9.071  -2.849  -2.849
  363   2HG1  VAL  56          2HG1      VAL  56  -7.917  -3.623  -3.623
  364   3HG1  VAL  56          3HG1      VAL  56  -9.630  -3.467  -3.467
  365   1HG2  VAL  56          2HG2      VAL  56  -7.065  -2.133  -2.133
  366   2HG2  VAL  56          3HG2      VAL  56  -8.192  -0.833  -0.833
  367   3HG2  VAL  56          1HG2      VAL  56  -8.748  -2.524  -2.524
  368    H    ARG  57           H        ARG  57  -9.210   1.001   1.001
  369    HA   ARG  57           HA       ARG  57  -7.399   2.917   2.917
  370   1HB   ARG  57          1HB       ARG  57  -8.776   4.646   4.646
  371   2HB   ARG  57          2HB       ARG  57  -7.580   3.681   3.681
  372   1HG   ARG  57          1HG       ARG  57  -9.415   2.042   2.042
  373   2HG   ARG  57          2HG       ARG  57 -10.580   3.120   3.120
  374   1HD   ARG  57          1HD       ARG  57  -8.700   3.965   3.965
  375   2HD   ARG  57          2HD       ARG  57 -10.336   3.396   3.396
  376    HE   ARG  57           HE       ARG  57 -10.611   5.427   5.427
  377   1HH1  ARG  57          2HH2      ARG  57  -9.266   5.215   5.215
  378   2HH1  ARG  57          1HH2      ARG  57  -9.613   6.868   6.868
  379   1HH2  ARG  57          2HH1      ARG  57 -11.055   7.570   7.570
  380   2HH2  ARG  57          1HH1      ARG  57 -10.673   8.257   8.257
  381    H    SER  58           H        SER  58  -9.116   1.309   1.309
  382    HA   SER  58           HA       SER  58 -11.630   1.892   1.892
  383   1HB   SER  58          1HB       SER  58 -10.421   0.395   0.395
  384   2HB   SER  58          2HB       SER  58  -9.410   1.692   1.692
  385    HG   SER  58           HG       SER  58 -10.876   2.047   2.047

  Start of MODEL   10
    1    HA   PRO   1           HA       PRO   1  -5.756   6.875   6.875
    2   1HB   PRO   1          1HB       PRO   1  -3.813   5.305   5.305
    3   2HB   PRO   1          2HB       PRO   1  -4.205   6.905   6.905
    4   1HG   PRO   1          1HG       PRO   1  -4.879   4.276   4.276
    5   2HG   PRO   1          2HG       PRO   1  -4.882   5.852   5.852
    6   1HD   PRO   1          1HD       PRO   1  -7.172   4.374   4.374
    7   2HD   PRO   1          2HD       PRO   1  -7.163   5.998   5.998
    8    H    ILE   2           H        ILE   2  -3.674   5.078   5.078
    9    HA   ILE   2           HA       ILE   2  -5.228   3.009   3.009
   10    HB   ILE   2           HB       ILE   2  -3.734   3.480   3.480
   11   1HG1  ILE   2          1HG1      ILE   2  -2.370   5.162   5.162
   12   2HG1  ILE   2          2HG1      ILE   2  -2.560   5.429   5.429
   13   1HG2  ILE   2          2HG2      ILE   2  -6.090   5.087   5.087
   14   2HG2  ILE   2          3HG2      ILE   2  -5.278   5.522   5.522
   15   3HG2  ILE   2          1HG2      ILE   2  -5.955   3.889   3.889
   16   1HD1  ILE   2          3HD1      ILE   2  -4.768   6.536   6.536
   17   2HD1  ILE   2          1HD1      ILE   2  -3.180   7.227   7.227
   18   3HD1  ILE   2          2HD1      ILE   2  -3.782   7.316   7.316
   19    H    GLU   3           H        GLU   3  -4.482   1.212   1.212
   20    HA   GLU   3           HA       GLU   3  -1.624   0.803   0.803
   21   1HB   GLU   3          1HB       GLU   3  -2.589  -0.305  -0.305
   22   2HB   GLU   3          2HB       GLU   3  -1.249   0.789   0.789
   23   1HG   GLU   3          1HG       GLU   3  -2.897   2.708   2.708
   24   2HG   GLU   3          2HG       GLU   3  -4.185   1.588   1.588
   25    H    VAL   4           H        VAL   4  -1.584  -1.707  -1.707
   26    HA   VAL   4           HA       VAL   4  -3.557  -3.274  -3.274
   27    HB   VAL   4           HB       VAL   4  -1.609  -4.936  -4.936
   28   1HG1  VAL   4          3HG1      VAL   4  -2.220  -2.474  -2.474
   29   2HG1  VAL   4          1HG1      VAL   4  -0.761  -3.388  -3.388
   30   3HG1  VAL   4          2HG1      VAL   4  -2.350  -4.190  -4.190
   31   1HG2  VAL   4          3HG2      VAL   4  -0.183  -3.199  -3.199
   32   2HG2  VAL   4          1HG2      VAL   4   0.552  -4.289  -4.289
   33   3HG2  VAL   4          2HG2      VAL   4   0.218  -2.593  -2.593
   34    H    ASN   5           H        ASN   5  -1.045  -5.038  -5.038
   35    HA   ASN   5           HA       ASN   5  -1.821  -4.932  -4.932
   36   1HB   ASN   5          1HB       ASN   5  -2.985  -7.404  -7.404
   37   2HB   ASN   5          2HB       ASN   5  -3.911  -5.918  -5.918
   38   1HD2  ASN   5          1HD2      ASN   5  -5.539  -7.100  -7.100
   39   2HD2  ASN   5          2HD2      ASN   5  -5.485  -7.283  -7.283
   40    H    ASP   6           H        ASP   6  -1.451  -7.587  -7.587
   41    HA   ASP   6           HA       ASP   6   1.251  -7.986  -7.986
   42   1HB   ASP   6          1HB       ASP   6   0.825  -8.504  -8.504
   43   2HB   ASP   6          2HB       ASP   6  -0.727  -9.236  -9.236
   44    H    ASP   7           H        ASP   7  -1.940  -9.534  -9.534
   45    HA   ASP   7           HA       ASP   7  -1.307 -11.942 -11.942
   46   1HB   ASP   7          1HB       ASP   7  -3.589 -10.775 -10.775
   47   2HB   ASP   7          2HB       ASP   7  -3.168 -10.039 -10.039
   48    H    CYS   8           H        CYS   8  -1.255  -8.835  -8.835
   49    HA   CYS   8           HA       CYS   8  -0.517  -9.801  -9.801
   50   1HB   CYS   8          1HB       CYS   8  -0.970  -7.558  -7.558
   51   2HB   CYS   8          2HB       CYS   8  -0.135  -7.207  -7.207
   52    H    MET   9           H        MET   9   1.707  -9.742  -9.742
   53    HA   MET   9           HA       MET   9   3.621 -10.855 -10.855
   54   1HB   MET   9          1HB       MET   9   3.059 -12.286 -12.286
   55   2HB   MET   9          2HB       MET   9   3.322 -10.969 -10.969
   56   1HG   MET   9          1HG       MET   9   5.772 -10.919 -10.919
   57   2HG   MET   9          2HG       MET   9   5.413 -12.466 -12.466
   58   1HE   MET   9          1HE       MET   9   6.204 -14.426 -14.426
   59   2HE   MET   9          2HE       MET   9   4.481 -14.604 -14.604
   60   3HE   MET   9          3HE       MET   9   5.729 -14.957 -14.957
   61    H    ALA  10           H        ALA  10   4.337  -9.393  -9.393
   62    HA   ALA  10           HA       ALA  10   5.148  -6.896  -6.896
   63   1HB   ALA  10          3HB       ALA  10   7.224  -9.041  -9.041
   64   2HB   ALA  10          1HB       ALA  10   7.708  -7.386  -7.386
   65   3HB   ALA  10          2HB       ALA  10   6.762  -7.671  -7.671
   66    H    CYS  11           H        CYS  11   3.879  -8.159  -8.159
   67    HA   CYS  11           HA       CYS  11   5.584  -8.783  -8.783
   68   1HB   CYS  11          1HB       CYS  11   2.870  -8.748  -8.748
   69   2HB   CYS  11          2HB       CYS  11   3.075  -7.441  -7.441
   70    H    GLU  12           H        GLU  12   4.606  -5.737  -5.737
   71    HA   GLU  12           HA       GLU  12   5.137  -3.661  -3.661
   72   1HB   GLU  12          1HB       GLU  12   7.459  -4.916  -4.916
   73   2HB   GLU  12          2HB       GLU  12   7.340  -3.189  -3.189
   74   1HG   GLU  12          1HG       GLU  12   7.427  -3.464  -3.464
   75   2HG   GLU  12          2HG       GLU  12   7.161  -5.193  -5.193
   76    H    ALA  13           H        ALA  13   3.502  -5.307  -5.307
   77    HA   ALA  13           HA       ALA  13   3.963  -4.083  -4.083
   78   1HB   ALA  13          3HB       ALA  13   2.280  -6.108  -6.108
   79   2HB   ALA  13          1HB       ALA  13   1.265  -4.979  -4.979
   80   3HB   ALA  13          2HB       ALA  13   2.630  -5.803  -5.803
   81    H    CYS  14           H        CYS  14   1.586  -3.536  -3.536
   82    HA   CYS  14           HA       CYS  14   0.150  -1.530  -1.530
   83   1HB   CYS  14          1HB       CYS  14  -0.056  -0.713  -0.713
   84   2HB   CYS  14          2HB       CYS  14  -0.779  -2.224  -2.224
   85    H    VAL  15           H        VAL  15   3.297  -1.444  -1.444
   86    HA   VAL  15           HA       VAL  15   3.509   1.392   1.392
   87    HB   VAL  15           HB       VAL  15   5.616   1.085   1.085
   88   1HG1  VAL  15          3HG1      VAL  15   3.312  -0.333  -0.333
   89   2HG1  VAL  15          1HG1      VAL  15   4.777  -1.230  -1.230
   90   3HG1  VAL  15          2HG1      VAL  15   4.596   0.477   0.477
   91   1HG2  VAL  15          2HG2      VAL  15   6.174  -0.819  -0.819
   92   2HG2  VAL  15          3HG2      VAL  15   7.020  -0.727  -0.727
   93   3HG2  VAL  15          1HG2      VAL  15   5.685  -1.883  -1.883
   94    H    GLU  16           H        GLU  16   4.308  -1.353  -1.353
   95    HA   GLU  16           HA       GLU  16   6.195   0.001   0.001
   96   1HB   GLU  16          1HB       GLU  16   5.268  -2.596  -2.596
   97   2HB   GLU  16          2HB       GLU  16   4.580  -2.096  -2.096
   98   1HG   GLU  16          1HG       GLU  16   7.438  -1.324  -1.324
   99   2HG   GLU  16          2HG       GLU  16   7.139  -3.045  -3.045
  100    H    ILE  17           H        ILE  17   2.794   0.369   0.369
  101    HA   ILE  17           HA       ILE  17   2.610   1.578   1.578
  102    HB   ILE  17           HB       ILE  17   1.040  -0.345  -0.345
  103   1HG1  ILE  17          1HG1      ILE  17   0.923   0.219   0.219
  104   2HG1  ILE  17          2HG1      ILE  17  -0.712   0.505   0.505
  105   1HG2  ILE  17          2HG2      ILE  17   0.349   1.374   1.374
  106   2HG2  ILE  17          3HG2      ILE  17  -0.626   2.110   2.110
  107   3HG2  ILE  17          1HG2      ILE  17  -0.919   0.423   0.423
  108   1HD1  ILE  17          3HD1      ILE  17   0.313   2.964   2.964
  109   2HD1  ILE  17          1HD1      ILE  17   1.393   2.436   2.436
  110   3HD1  ILE  17          2HD1      ILE  17  -0.369   2.467   2.467
  111    H    CYS  18           H        CYS  18   2.161   2.036   2.036
  112    HA   CYS  18           HA       CYS  18   2.117   4.906   4.906
  113   1HB   CYS  18          1HB       CYS  18  -0.154   3.634   3.634
  114   2HB   CYS  18          2HB       CYS  18   0.517   3.960   3.960
  115    HA   PRO  19           HA       PRO  19   5.266   3.602   3.602
  116   1HB   PRO  19          1HB       PRO  19   7.446   4.704   4.704
  117   2HB   PRO  19          2HB       PRO  19   6.967   3.032   3.032
  118   1HG   PRO  19          1HG       PRO  19   6.658   5.307   5.307
  119   2HG   PRO  19          2HG       PRO  19   6.586   3.591   3.591
  120   1HD   PRO  19          1HD       PRO  19   4.364   5.393   5.393
  121   2HD   PRO  19          2HD       PRO  19   4.287   3.657   3.657
  122    H    ASP  20           H        ASP  20   3.691   6.263   6.263
  123    HA   ASP  20           HA       ASP  20   5.361   8.005   8.005
  124   1HB   ASP  20          1HB       ASP  20   3.969   8.478   8.478
  125   2HB   ASP  20          2HB       ASP  20   2.728   8.910   8.910
  126    H    VAL  21           H        VAL  21   2.685   5.852   5.852
  127    HA   VAL  21           HA       VAL  21   1.683   7.260   7.260
  128    HB   VAL  21           HB       VAL  21   0.277   5.301   5.301
  129   1HG1  VAL  21          3HG1      VAL  21  -0.509   6.646   6.646
  130   2HG1  VAL  21          1HG1      VAL  21  -1.747   6.255   6.255
  131   3HG1  VAL  21          2HG1      VAL  21  -0.746   4.959   4.959
  132   1HG2  VAL  21          2HG2      VAL  21   0.182   8.313   8.313
  133   2HG2  VAL  21          3HG2      VAL  21   0.433   7.308   7.308
  134   3HG2  VAL  21          1HG2      VAL  21  -1.171   7.379   7.379
  135    H    PHE  22           H        PHE  22   3.076   4.327   4.327
  136    HA   PHE  22           HA       PHE  22   3.257   3.259   3.259
  137   1HB   PHE  22          1HB       PHE  22   2.815   1.573   1.573
  138   2HB   PHE  22          2HB       PHE  22   2.601   1.066   1.066
  139    HD1  PHE  22          2HD       PHE  22   0.723   2.317   2.317
  140    HD2  PHE  22          1HD       PHE  22   0.959   2.198   2.198
  141    HE1  PHE  22          2HE       PHE  22  -1.725   2.852   2.852
  142    HE2  PHE  22          1HE       PHE  22  -1.490   2.733   2.733
  143    HZ   PHE  22           HZ       PHE  22  -2.802   3.053   3.053
  144    H    GLU  23           H        GLU  23   5.243   2.338   2.338
  145    HA   GLU  23           HA       GLU  23   7.047   1.790   1.790
  146   1HB   GLU  23          1HB       GLU  23   7.758   4.008   4.008
  147   2HB   GLU  23          2HB       GLU  23   7.438   3.990   3.990
  148   1HG   GLU  23          1HG       GLU  23   9.489   2.024   2.024
  149   2HG   GLU  23          2HG       GLU  23   9.940   3.709   3.709
  150    H    MET  24           H        MET  24   8.567   0.163   0.163
  151    HA   MET  24           HA       MET  24   7.945  -1.690  -1.690
  152   1HB   MET  24          1HB       MET  24  10.872  -0.988  -0.988
  153   2HB   MET  24          2HB       MET  24  10.153  -2.584  -2.584
  154   1HG   MET  24          1HG       MET  24  10.158  -2.535  -2.535
  155   2HG   MET  24          2HG       MET  24   8.739  -1.521  -1.521
  156   1HE   MET  24          1HE       MET  24  10.657  -1.691  -1.691
  157   2HE   MET  24          2HE       MET  24  11.772  -0.323  -0.323
  158   3HE   MET  24          3HE       MET  24  12.241  -1.683  -1.683
  159    H    ASN  25           H        ASN  25   8.441  -2.260  -2.260
  160    HA   ASN  25           HA       ASN  25   8.631  -0.149  -0.149
  161   1HB   ASN  25          1HB       ASN  25   7.832  -2.658  -2.658
  162   2HB   ASN  25          2HB       ASN  25   9.508  -2.975  -2.975
  163   1HD2  ASN  25          1HD2      ASN  25   9.826  -3.056  -3.056
  164   2HD2  ASN  25          2HD2      ASN  25   9.114  -2.052  -2.052
  165    H    GLU  26           H        GLU  26  10.638  -1.657  -1.657
  166    HA   GLU  26           HA       GLU  26  12.902  -0.178  -0.178
  167   1HB   GLU  26          1HB       GLU  26  11.961  -1.033  -1.033
  168   2HB   GLU  26          2HB       GLU  26  13.172  -2.268  -2.268
  169   1HG   GLU  26          1HG       GLU  26  14.772  -0.274  -0.274
  170   2HG   GLU  26          2HG       GLU  26  13.571   0.740   0.740
  171    H    GLU  27           H        GLU  27  11.727  -3.461  -3.461
  172    HA   GLU  27           HA       GLU  27  14.208  -4.028  -4.028
  173   1HB   GLU  27          1HB       GLU  27  12.823  -6.241  -6.241
  174   2HB   GLU  27          2HB       GLU  27  14.482  -6.161  -6.161
  175   1HG   GLU  27          1HG       GLU  27  14.701  -4.122  -4.122
  176   2HG   GLU  27          2HG       GLU  27  13.222  -4.734  -4.734
  177    H    GLY  28           H        GLY  28  11.047  -3.391  -3.391
  178   1HA   GLY  28          1HA       GLY  28   9.610  -3.725  -3.725
  179   2HA   GLY  28          2HA       GLY  28  10.791  -4.757  -4.757
  180    H    ASP  29           H        ASP  29   9.902  -5.444  -5.444
  181    HA   ASP  29           HA       ASP  29   8.997  -8.001  -8.001
  182   1HB   ASP  29          1HB       ASP  29  10.084  -6.935  -6.935
  183   2HB   ASP  29          2HB       ASP  29   8.394  -6.961  -6.961
  184    H    LYS  30           H        LYS  30   7.574  -4.917  -4.917
  185    HA   LYS  30           HA       LYS  30   4.995  -5.900  -5.900
  186   1HB   LYS  30          1HB       LYS  30   5.628  -5.345  -5.345
  187   2HB   LYS  30          2HB       LYS  30   4.272  -4.400  -4.400
  188   1HG   LYS  30          1HG       LYS  30   2.918  -6.220  -6.220
  189   2HG   LYS  30          2HG       LYS  30   4.042  -7.117  -7.117
  190   1HD   LYS  30          1HD       LYS  30   5.419  -7.550  -7.550
  191   2HD   LYS  30          2HD       LYS  30   4.077  -6.882  -6.882
  192   1HE   LYS  30          1HE       LYS  30   3.558  -9.168  -9.168
  193   2HE   LYS  30          2HE       LYS  30   2.628  -8.629  -8.629
  194   1HZ   LYS  30          1HZ       LYS  30   4.629  -9.318  -9.318
  195   2HZ   LYS  30          2HZ       LYS  30   5.272  -9.974  -9.974
  196    H    ALA  31           H        ALA  31   3.921  -4.396  -4.396
  197    HA   ALA  31           HA       ALA  31   5.291  -2.132  -2.132
  198   1HB   ALA  31          3HB       ALA  31   2.422  -3.084  -3.084
  199   2HB   ALA  31          1HB       ALA  31   2.946  -1.547  -1.547
  200   3HB   ALA  31          2HB       ALA  31   3.682  -3.081  -3.081
  201    H    VAL  32           H        VAL  32   5.795  -0.364  -0.364
  202    HA   VAL  32           HA       VAL  32   4.177   0.299   0.299
  203    HB   VAL  32           HB       VAL  32   6.858   0.576   0.576
  204   1HG1  VAL  32          2HG1      VAL  32   6.117   2.737   2.737
  205   2HG1  VAL  32          3HG1      VAL  32   5.686   3.318   3.318
  206   3HG1  VAL  32          1HG1      VAL  32   7.375   2.905   2.905
  207   1HG2  VAL  32          3HG2      VAL  32   5.933   0.058   0.058
  208   2HG2  VAL  32          1HG2      VAL  32   7.190   1.317   1.317
  209   3HG2  VAL  32          2HG2      VAL  32   5.474   1.769   1.769
  210    H    VAL  33           H        VAL  33   3.375   2.567   2.567
  211    HA   VAL  33           HA       VAL  33   2.359   3.600   3.600
  212    HB   VAL  33           HB       VAL  33   1.197   3.659   3.659
  213   1HG1  VAL  33          1HG1      VAL  33   0.303   5.008   5.008
  214   2HG1  VAL  33          2HG1      VAL  33  -0.818   4.658   4.658
  215   3HG1  VAL  33          3HG1      VAL  33   0.576   5.732   5.732
  216   1HG2  VAL  33          1HG2      VAL  33   0.987   1.489   1.489
  217   2HG2  VAL  33          2HG2      VAL  33  -0.597   2.288   2.288
  218   3HG2  VAL  33          3HG2      VAL  33   0.259   2.278   2.278
  219    H    ILE  34           H        ILE  34   2.910   5.649   5.649
  220    HA   ILE  34           HA       ILE  34   4.444   7.176   7.176
  221    HB   ILE  34           HB       ILE  34   4.734   8.281   8.281
  222   1HG1  ILE  34          1HG1      ILE  34   5.025   5.262   5.262
  223   2HG1  ILE  34          2HG1      ILE  34   3.857   6.225   6.225
  224   1HG2  ILE  34          1HG2      ILE  34   6.387   6.985   6.985
  225   2HG2  ILE  34          2HG2      ILE  34   7.069   6.976   6.976
  226   3HG2  ILE  34          3HG2      ILE  34   6.620   8.518   8.518
  227   1HD1  ILE  34          1HD1      ILE  34   6.462   7.314   7.314
  228   2HD1  ILE  34          2HD1      ILE  34   6.598   5.545   5.545
  229   3HD1  ILE  34          3HD1      ILE  34   5.424   6.429   6.429
  230    H    ASN  35           H        ASN  35   1.737   7.279   7.279
  231    HA   ASN  35           HA       ASN  35   1.031   9.850   9.850
  232   1HB   ASN  35          1HB       ASN  35   1.465   9.402   9.402
  233   2HB   ASN  35          2HB       ASN  35  -0.214   8.905   8.905
  234   1HD2  ASN  35          1HD2      ASN  35   0.988  11.171  11.171
  235   2HD2  ASN  35          2HD2      ASN  35   0.234  12.608  12.608
  236    HA   PRO  36           HA       PRO  36  -2.172   6.913   6.913
  237   1HB   PRO  36          1HB       PRO  36  -2.533   7.890   7.890
  238   2HB   PRO  36          2HB       PRO  36  -1.409   6.599   6.599
  239   1HG   PRO  36          1HG       PRO  36  -0.838   9.434   9.434
  240   2HG   PRO  36          2HG       PRO  36   0.251   8.062   8.062
  241   1HD   PRO  36          1HD       PRO  36   0.108  10.078  10.078
  242   2HD   PRO  36          2HD       PRO  36   1.114   8.644   8.644
  243    H    ASP  37           H        ASP  37  -2.395   9.368   9.368
  244    HA   ASP  37           HA       ASP  37  -5.140   9.610   9.610
  245   1HB   ASP  37          1HB       ASP  37  -4.550  10.920  10.920
  246   2HB   ASP  37          2HB       ASP  37  -3.553  11.986  11.986
  247    H    SER  38           H        SER  38  -3.444   9.080   9.080
  248    HA   SER  38           HA       SER  38  -2.406  11.255  11.255
  249   1HB   SER  38          1HB       SER  38  -2.570   8.509   8.509
  250   2HB   SER  38          2HB       SER  38  -3.527   9.144   9.144
  251    HG   SER  38           HG       SER  38  -1.572   9.329   9.329
  252    H    ASP  39           H        ASP  39  -3.622  11.062  11.062
  253    HA   ASP  39           HA       ASP  39  -6.376  11.513  11.513
  254   1HB   ASP  39          1HB       ASP  39  -4.673  13.774  13.774
  255   2HB   ASP  39          2HB       ASP  39  -5.423  14.058  14.058
  256    H    LEU  40           H        LEU  40  -4.328  10.019  10.019
  257    HA   LEU  40           HA       LEU  40  -4.553  11.324  11.324
  258   1HB   LEU  40          1HB       LEU  40  -2.776   9.315   9.315
  259   2HB   LEU  40          2HB       LEU  40  -2.365  10.979  10.979
  260    HG   LEU  40           HG       LEU  40  -2.316  10.349  10.349
  261   1HD1  LEU  40          2HD1      LEU  40  -3.264   7.840   7.840
  262   2HD1  LEU  40          3HD1      LEU  40  -1.766   7.610   7.610
  263   3HD1  LEU  40          1HD1      LEU  40  -3.175   8.391   8.391
  264   1HD2  LEU  40          2HD2      LEU  40  -0.400   9.696   9.696
  265   2HD2  LEU  40          3HD2      LEU  40  -0.158  10.504  10.504
  266   3HD2  LEU  40          1HD2      LEU  40  -0.168   8.726   8.726
  267    H    ASP  41           H        ASP  41  -4.201   9.088   9.088
  268    HA   ASP  41           HA       ASP  41  -6.634   7.618   7.618
  269   1HB   ASP  41          1HB       ASP  41  -6.520   9.170   9.170
  270   2HB   ASP  41          2HB       ASP  41  -5.428   7.984   7.984
  271    H    CYS  42           H        CYS  42  -3.543   7.225   7.225
  272    HA   CYS  42           HA       CYS  42  -3.193   4.725   4.725
  273   1HB   CYS  42          1HB       CYS  42  -0.835   4.891   4.891
  274   2HB   CYS  42          2HB       CYS  42  -1.300   6.029   6.029
  275    H    VAL  43           H        VAL  43  -4.982   5.441   5.441
  276    HA   VAL  43           HA       VAL  43  -3.750   3.620   3.620
  277    HB   VAL  43           HB       VAL  43  -5.772   5.832   5.832
  278   1HG1  VAL  43          3HG1      VAL  43  -5.492   3.485   3.485
  279   2HG1  VAL  43          1HG1      VAL  43  -6.035   5.075   5.075
  280   3HG1  VAL  43          2HG1      VAL  43  -6.968   4.222   4.222
  281   1HG2  VAL  43          3HG2      VAL  43  -3.120   5.865   5.865
  282   2HG2  VAL  43          1HG2      VAL  43  -4.252   6.893   6.893
  283   3HG2  VAL  43          2HG2      VAL  43  -3.650   5.379   5.379
  284    H    GLU  44           H        GLU  44  -6.375   4.052   4.052
  285    HA   GLU  44           HA       GLU  44  -7.844   1.852   1.852
  286   1HB   GLU  44          1HB       GLU  44  -8.257   3.892   3.892
  287   2HB   GLU  44          2HB       GLU  44  -9.057   2.353   2.353
  288   1HG   GLU  44          1HG       GLU  44  -9.615   2.828   2.828
  289   2HG   GLU  44          2HG       GLU  44  -9.593   4.460   4.460
  290    H    GLU  45           H        GLU  45  -5.323   2.445   2.445
  291    HA   GLU  45           HA       GLU  45  -5.869   0.022   0.022
  292   1HB   GLU  45          1HB       GLU  45  -3.902   0.641   0.641
  293   2HB   GLU  45          2HB       GLU  45  -4.987   2.007   2.007
  294   1HG   GLU  45          1HG       GLU  45  -3.537   2.743   2.743
  295   2HG   GLU  45          2HG       GLU  45  -2.380   1.530   1.530
  296    H    ALA  46           H        ALA  46  -4.231   0.982   0.982
  297    HA   ALA  46           HA       ALA  46  -2.261  -1.132  -1.132
  298   1HB   ALA  46          2HB       ALA  46  -2.024   1.245   1.245
  299   2HB   ALA  46          3HB       ALA  46  -2.925   0.559   0.559
  300   3HB   ALA  46          1HB       ALA  46  -1.364  -0.147  -0.147
  301    H    ILE  47           H        ILE  47  -5.570  -0.656  -0.656
  302    HA   ILE  47           HA       ILE  47  -5.452  -2.946  -2.946
  303    HB   ILE  47           HB       ILE  47  -7.557  -0.863  -0.863
  304   1HG1  ILE  47          1HG1      ILE  47  -6.286  -1.446  -1.446
  305   2HG1  ILE  47          2HG1      ILE  47  -5.448  -0.429  -0.429
  306   1HG2  ILE  47          1HG2      ILE  47  -7.763  -3.509  -3.509
  307   2HG2  ILE  47          2HG2      ILE  47  -8.585  -2.121  -2.121
  308   3HG2  ILE  47          3HG2      ILE  47  -8.976  -2.586  -2.586
  309   1HD1  ILE  47          1HD1      ILE  47  -8.254   0.328   0.328
  310   2HD1  ILE  47          2HD1      ILE  47  -7.465   0.326   0.326
  311   3HD1  ILE  47          3HD1      ILE  47  -6.798   1.314   1.314
  312    H    ASP  48           H        ASP  48  -7.006  -1.763  -1.763
  313    HA   ASP  48           HA       ASP  48  -8.560  -3.976  -3.976
  314   1HB   ASP  48          1HB       ASP  48  -8.125  -1.617  -1.617
  315   2HB   ASP  48          2HB       ASP  48  -7.219  -2.676  -2.676
  316    H    SER  49           H        SER  49  -5.133  -3.205  -3.205
  317    HA   SER  49           HA       SER  49  -4.790  -5.596  -5.596
  318   1HB   SER  49          1HB       SER  49  -2.847  -3.526  -3.526
  319   2HB   SER  49          2HB       SER  49  -2.312  -4.917  -4.917
  320    HG   SER  49           HG       SER  49  -2.868  -2.717  -2.717
  321    H    CYS  50           H        CYS  50  -5.092  -4.915  -4.915
  322    HA   CYS  50           HA       CYS  50  -3.158  -6.872  -6.872
  323   1HB   CYS  50          1HB       CYS  50  -3.390  -4.904  -4.904
  324   2HB   CYS  50          2HB       CYS  50  -5.124  -5.123  -5.123
  325    HA   PRO  51           HA       PRO  51  -6.352  -9.894  -9.894
  326   1HB   PRO  51          1HB       PRO  51  -4.770 -12.098 -12.098
  327   2HB   PRO  51          2HB       PRO  51  -5.009 -11.307 -11.307
  328   1HG   PRO  51          1HG       PRO  51  -2.650 -11.223 -11.223
  329   2HG   PRO  51          2HG       PRO  51  -2.758 -10.809 -10.809
  330   1HD   PRO  51          1HD       PRO  51  -2.630  -8.981  -8.981
  331   2HD   PRO  51          2HD       PRO  51  -2.854  -8.571  -8.571
  332    H    ALA  52           H        ALA  52  -4.081  -9.716  -9.716
  333    HA   ALA  52           HA       ALA  52  -5.760 -11.353 -11.353
  334   1HB   ALA  52          1HB       ALA  52  -3.047 -10.317 -10.317
  335   2HB   ALA  52          2HB       ALA  52  -3.831  -9.982  -9.982
  336   3HB   ALA  52          3HB       ALA  52  -3.738 -11.651 -11.651
  337    H    GLU  53           H        GLU  53  -5.890  -8.186  -8.186
  338    HA   GLU  53           HA       GLU  53  -6.664  -6.270  -6.270
  339   1HB   GLU  53          1HB       GLU  53  -8.695  -8.369  -8.369
  340   2HB   GLU  53          2HB       GLU  53  -9.079  -7.098  -7.098
  341   1HG   GLU  53          1HG       GLU  53  -8.962  -5.390  -5.390
  342   2HG   GLU  53          2HG       GLU  53  -8.315  -6.536  -6.536
  343    H    ALA  54           H        ALA  54  -4.783  -7.388  -7.388
  344    HA   ALA  54           HA       ALA  54  -5.938  -7.223  -7.223
  345   1HB   ALA  54          2HB       ALA  54  -3.903  -8.618  -8.618
  346   2HB   ALA  54          3HB       ALA  54  -2.987  -7.106  -7.106
  347   3HB   ALA  54          1HB       ALA  54  -3.803  -7.858  -7.858
  348    H    ILE  55           H        ILE  55  -4.926  -4.981  -4.981
  349    HA   ILE  55           HA       ILE  55  -4.097  -2.976  -2.976
  350    HB   ILE  55           HB       ILE  55  -2.856  -3.074  -3.074
  351   1HG1  ILE  55          1HG1      ILE  55  -4.404  -0.711  -0.711
  352   2HG1  ILE  55          2HG1      ILE  55  -4.026  -0.773  -0.773
  353   1HG2  ILE  55          2HG2      ILE  55  -5.531  -3.284  -3.284
  354   2HG2  ILE  55          3HG2      ILE  55  -4.232  -2.458  -2.458
  355   3HG2  ILE  55          1HG2      ILE  55  -4.009  -4.138  -4.138
  356   1HD1  ILE  55          1HD1      ILE  55  -1.616  -1.213  -1.213
  357   2HD1  ILE  55          2HD1      ILE  55  -2.092  -0.949  -0.949
  358   3HD1  ILE  55          3HD1      ILE  55  -2.231   0.376   0.376
  359    H    VAL  56           H        VAL  56  -5.605  -1.922  -1.922
  360    HA   VAL  56           HA       VAL  56  -8.186  -1.434  -1.434
  361    HB   VAL  56           HB       VAL  56  -8.911  -1.129  -1.129
  362   1HG1  VAL  56          1HG1      VAL  56  -8.224  -3.797  -3.797
  363   2HG1  VAL  56          2HG1      VAL  56  -9.155  -3.654  -3.654
  364   3HG1  VAL  56          3HG1      VAL  56  -9.786  -2.943  -2.943
  365   1HG2  VAL  56          3HG2      VAL  56  -6.362  -1.268  -1.268
  366   2HG2  VAL  56          1HG2      VAL  56  -7.622  -1.959  -1.959
  367   3HG2  VAL  56          2HG2      VAL  56  -6.675  -3.021  -3.021
  368    H    ARG  57           H        ARG  57  -9.241   0.662   0.662
  369    HA   ARG  57           HA       ARG  57  -7.198   2.666   2.666
  370   1HB   ARG  57          1HB       ARG  57  -8.507   4.191   4.191
  371   2HB   ARG  57          2HB       ARG  57  -7.866   2.791   2.791
  372   1HG   ARG  57          1HG       ARG  57 -10.019   1.674   1.674
  373   2HG   ARG  57          2HG       ARG  57 -10.688   2.831   2.831
  374   1HD   ARG  57          1HD       ARG  57 -11.132   4.378   4.378
  375   2HD   ARG  57          2HD       ARG  57  -9.609   4.094   4.094
  376    HE   ARG  57           HE       ARG  57 -10.689   2.574   2.574
  377   1HH1  ARG  57          2HH2      ARG  57 -12.680   3.032   3.032
  378   2HH1  ARG  57          1HH2      ARG  57 -14.002   2.095   2.095
  379   1HH2  ARG  57          2HH1      ARG  57 -12.411   1.359   1.359
  380   2HH2  ARG  57          1HH1      ARG  57 -13.835   1.107   1.107
  381    H    SER  58           H        SER  58  -8.501   1.621   1.621
  382    HA   SER  58           HA       SER  58 -10.945   2.389   2.389
  383   1HB   SER  58          1HB       SER  58  -9.283   1.131   1.131
  384   2HB   SER  58          2HB       SER  58  -8.490   2.648   2.648
  385    HG   SER  58           HG       SER  58 -11.128   2.989   2.989

  Start of MODEL   11
    1    HA   PRO   1           HA       PRO   1  -7.854   6.646   6.646
    2   1HB   PRO   1          1HB       PRO   1  -5.532   7.523   7.523
    3   2HB   PRO   1          2HB       PRO   1  -6.593   8.562   8.562
    4   1HG   PRO   1          1HG       PRO   1  -3.995   7.393   7.393
    5   2HG   PRO   1          2HG       PRO   1  -4.852   8.742   8.742
    6   1HD   PRO   1          1HD       PRO   1  -4.677   6.073   6.073
    7   2HD   PRO   1          2HD       PRO   1  -5.628   7.392   7.392
    8    H    ILE   2           H        ILE   2  -4.564   5.704   5.704
    9    HA   ILE   2           HA       ILE   2  -5.713   3.356   3.356
   10    HB   ILE   2           HB       ILE   2  -3.712   3.597   3.597
   11   1HG1  ILE   2          1HG1      ILE   2  -2.598   5.264   5.264
   12   2HG1  ILE   2          2HG1      ILE   2  -2.480   5.570   5.570
   13   1HG2  ILE   2          2HG2      ILE   2  -6.196   5.187   5.187
   14   2HG2  ILE   2          3HG2      ILE   2  -4.940   5.787   5.787
   15   3HG2  ILE   2          1HG2      ILE   2  -5.540   4.118   4.118
   16   1HD1  ILE   2          2HD1      ILE   2  -4.886   6.804   6.804
   17   2HD1  ILE   2          3HD1      ILE   2  -3.645   7.194   7.194
   18   3HD1  ILE   2          1HD1      ILE   2  -3.377   7.609   7.609
   19    H    GLU   3           H        GLU   3  -5.367   1.671   1.671
   20    HA   GLU   3           HA       GLU   3  -2.661   1.491   1.491
   21   1HB   GLU   3          1HB       GLU   3  -3.629   0.214   0.214
   22   2HB   GLU   3          2HB       GLU   3  -4.301   1.829   1.829
   23   1HG   GLU   3          1HG       GLU   3  -6.136   0.580   0.580
   24   2HG   GLU   3          2HG       GLU   3  -5.610  -0.816  -0.816
   25    H    VAL   4           H        VAL   4  -2.061  -0.928  -0.928
   26    HA   VAL   4           HA       VAL   4  -3.121  -2.601  -2.601
   27    HB   VAL   4           HB       VAL   4  -0.908  -1.730  -1.730
   28   1HG1  VAL   4          2HG1      VAL   4  -0.165  -2.901  -2.901
   29   2HG1  VAL   4          3HG1      VAL   4   1.046  -2.630  -2.630
   30   3HG1  VAL   4          1HG1      VAL   4   0.121  -1.258  -1.258
   31   1HG2  VAL   4          2HG2      VAL   4  -0.908  -4.684  -4.684
   32   2HG2  VAL   4          3HG2      VAL   4  -1.511  -3.952  -3.952
   33   3HG2  VAL   4          1HG2      VAL   4   0.224  -3.888  -3.888
   34    H    ASN   5           H        ASN   5  -2.833  -4.989  -4.989
   35    HA   ASN   5           HA       ASN   5  -3.570  -5.425  -5.425
   36   1HB   ASN   5          1HB       ASN   5  -3.534  -7.227  -7.227
   37   2HB   ASN   5          2HB       ASN   5  -4.003  -7.811  -7.811
   38   1HD2  ASN   5          1HD2      ASN   5  -6.057  -8.296  -8.296
   39   2HD2  ASN   5          2HD2      ASN   5  -7.271  -7.085  -7.085
   40    H    ASP   6           H        ASP   6  -2.709  -8.067  -8.067
   41    HA   ASP   6           HA       ASP   6   0.167  -7.678  -7.678
   42   1HB   ASP   6          1HB       ASP   6  -0.925  -8.027  -8.027
   43   2HB   ASP   6          2HB       ASP   6  -1.684  -9.497  -9.497
   44    H    ASP   7           H        ASP   7  -2.504  -9.687  -9.687
   45    HA   ASP   7           HA       ASP   7  -1.137 -12.037 -12.037
   46   1HB   ASP   7          1HB       ASP   7  -3.704 -11.237 -11.237
   47   2HB   ASP   7          2HB       ASP   7  -3.216 -11.090 -11.090
   48    H    CYS   8           H        CYS   8  -0.988  -8.883  -8.883
   49    HA   CYS   8           HA       CYS   8  -0.399  -9.486  -9.486
   50   1HB   CYS   8          1HB       CYS   8  -0.652  -7.233  -7.233
   51   2HB   CYS   8          2HB       CYS   8   0.161  -7.206  -7.206
   52    H    MET   9           H        MET   9   1.480 -10.187 -10.187
   53    HA   MET   9           HA       MET   9   3.548 -11.179 -11.179
   54   1HB   MET   9          1HB       MET   9   2.600 -11.796 -11.796
   55   2HB   MET   9          2HB       MET   9   4.224 -12.267 -12.267
   56   1HG   MET   9          1HG       MET   9   2.438 -13.052 -13.052
   57   2HG   MET   9          2HG       MET   9   1.737 -13.595 -13.595
   58   1HE   MET   9          1HE       MET   9   2.039 -15.624 -15.624
   59   2HE   MET   9          2HE       MET   9   3.381 -15.206 -15.206
   60   3HE   MET   9          3HE       MET   9   3.500 -16.640 -16.640
   61    H    ALA  10           H        ALA  10   2.875  -8.582  -8.582
   62    HA   ALA  10           HA       ALA  10   4.183  -6.788  -6.788
   63   1HB   ALA  10          3HB       ALA  10   5.745  -8.028  -8.028
   64   2HB   ALA  10          1HB       ALA  10   6.792  -8.164  -8.164
   65   3HB   ALA  10          2HB       ALA  10   6.241  -6.563  -6.563
   66    H    CYS  11           H        CYS  11   3.166  -7.643  -7.643
   67    HA   CYS  11           HA       CYS  11   4.821  -9.151  -9.151
   68   1HB   CYS  11          1HB       CYS  11   2.153  -8.000  -8.000
   69   2HB   CYS  11          2HB       CYS  11   2.965  -7.776  -7.776
   70    H    GLU  12           H        GLU  12   4.069  -5.667  -5.667
   71    HA   GLU  12           HA       GLU  12   5.442  -3.953  -3.953
   72   1HB   GLU  12          1HB       GLU  12   7.594  -4.157  -4.157
   73   2HB   GLU  12          2HB       GLU  12   7.283  -5.854  -5.854
   74   1HG   GLU  12          1HG       GLU  12   7.929  -6.109  -6.109
   75   2HG   GLU  12          2HG       GLU  12   6.264  -5.678  -5.678
   76    H    ALA  13           H        ALA  13   3.236  -5.428  -5.428
   77    HA   ALA  13           HA       ALA  13   3.563  -4.255  -4.255
   78   1HB   ALA  13          1HB       ALA  13   2.165  -6.286  -6.286
   79   2HB   ALA  13          2HB       ALA  13   0.978  -5.145  -5.145
   80   3HB   ALA  13          3HB       ALA  13   1.361  -5.105  -5.105
   81    H    CYS  14           H        CYS  14   1.615  -3.390  -3.390
   82    HA   CYS  14           HA       CYS  14   0.485  -1.107  -1.107
   83   1HB   CYS  14          1HB       CYS  14  -0.158  -0.516  -0.516
   84   2HB   CYS  14          2HB       CYS  14  -0.350  -2.245  -2.245
   85    H    VAL  15           H        VAL  15   3.637  -1.836  -1.836
   86    HA   VAL  15           HA       VAL  15   4.367   0.888   0.888
   87    HB   VAL  15           HB       VAL  15   5.959  -1.682  -1.682
   88   1HG1  VAL  15          1HG1      VAL  15   6.847   1.065   1.065
   89   2HG1  VAL  15          2HG1      VAL  15   7.291   0.256   0.256
   90   3HG1  VAL  15          3HG1      VAL  15   7.806  -0.434  -0.434
   91   1HG2  VAL  15          1HG2      VAL  15   4.183  -1.438  -1.438
   92   2HG2  VAL  15          2HG2      VAL  15   5.843  -1.687  -1.687
   93   3HG2  VAL  15          3HG2      VAL  15   5.118  -0.061  -0.061
   94    H    GLU  16           H        GLU  16   4.528  -1.479  -1.479
   95    HA   GLU  16           HA       GLU  16   6.349   0.160   0.160
   96   1HB   GLU  16          1HB       GLU  16   6.006  -2.482  -2.482
   97   2HB   GLU  16          2HB       GLU  16   4.792  -2.120  -2.120
   98   1HG   GLU  16          1HG       GLU  16   6.371  -1.214  -1.214
   99   2HG   GLU  16          2HG       GLU  16   7.540  -0.873  -0.873
  100    H    ILE  17           H        ILE  17   3.000   0.159   0.159
  101    HA   ILE  17           HA       ILE  17   2.347   1.345   1.345
  102    HB   ILE  17           HB       ILE  17   1.033  -0.536  -0.536
  103   1HG1  ILE  17          1HG1      ILE  17   0.493   0.220   0.220
  104   2HG1  ILE  17          2HG1      ILE  17  -0.987   0.125   0.125
  105   1HG2  ILE  17          2HG2      ILE  17   0.749   1.416   1.416
  106   2HG2  ILE  17          3HG2      ILE  17  -0.697   1.723   1.723
  107   3HG2  ILE  17          1HG2      ILE  17  -0.447   0.122   0.122
  108   1HD1  ILE  17          1HD1      ILE  17  -0.241   2.717   2.717
  109   2HD1  ILE  17          2HD1      ILE  17   0.420   2.472   2.472
  110   3HD1  ILE  17          3HD1      ILE  17  -1.315   2.220   2.220
  111    H    CYS  18           H        CYS  18   2.736   2.022   2.022
  112    HA   CYS  18           HA       CYS  18   2.873   4.807   4.807
  113   1HB   CYS  18          1HB       CYS  18   0.342   4.045   4.045
  114   2HB   CYS  18          2HB       CYS  18   0.828   4.227   4.227
  115    HA   PRO  19           HA       PRO  19   5.435   3.299   3.299
  116   1HB   PRO  19          1HB       PRO  19   7.776   4.454   4.454
  117   2HB   PRO  19          2HB       PRO  19   7.311   2.822   2.822
  118   1HG   PRO  19          1HG       PRO  19   7.289   5.263   5.263
  119   2HG   PRO  19          2HG       PRO  19   7.244   3.586   3.586
  120   1HD   PRO  19          1HD       PRO  19   5.036   5.415   5.415
  121   2HD   PRO  19          2HD       PRO  19   4.970   3.710   3.710
  122    H    ASP  20           H        ASP  20   3.993   6.041   6.041
  123    HA   ASP  20           HA       ASP  20   5.454   7.592   7.592
  124   1HB   ASP  20          1HB       ASP  20   4.371   8.291   8.291
  125   2HB   ASP  20          2HB       ASP  20   3.043   8.721   8.721
  126    H    VAL  21           H        VAL  21   2.748   5.499   5.499
  127    HA   VAL  21           HA       VAL  21   1.389   6.733   6.733
  128    HB   VAL  21           HB       VAL  21   0.270   4.838   4.838
  129   1HG1  VAL  21          2HG1      VAL  21  -0.966   6.390   6.390
  130   2HG1  VAL  21          3HG1      VAL  21  -1.924   5.726   5.726
  131   3HG1  VAL  21          1HG1      VAL  21  -0.995   4.634   4.634
  132   1HG2  VAL  21          3HG2      VAL  21   0.953   7.080   7.080
  133   2HG2  VAL  21          1HG2      VAL  21  -0.783   6.711   6.711
  134   3HG2  VAL  21          2HG2      VAL  21  -0.209   7.826   7.826
  135    H    PHE  22           H        PHE  22   2.943   3.853   3.853
  136    HA   PHE  22           HA       PHE  22   2.869   2.675   2.675
  137   1HB   PHE  22          1HB       PHE  22   2.421   1.093   1.093
  138   2HB   PHE  22          2HB       PHE  22   2.127   0.543   0.543
  139    HD1  PHE  22          2HD       PHE  22   0.280   1.842   1.842
  140    HD2  PHE  22          1HD       PHE  22   0.647   1.878   1.878
  141    HE1  PHE  22          2HE       PHE  22  -2.128   2.523   2.523
  142    HE2  PHE  22          1HE       PHE  22  -1.761   2.557   2.557
  143    HZ   PHE  22           HZ       PHE  22  -3.120   2.872   2.872
  144    H    GLU  23           H        GLU  23   4.868   1.973   1.973
  145    HA   GLU  23           HA       GLU  23   6.681   1.155   1.155
  146   1HB   GLU  23          1HB       GLU  23   7.531   3.316   3.316
  147   2HB   GLU  23          2HB       GLU  23   7.052   3.507   3.507
  148   1HG   GLU  23          1HG       GLU  23   8.854   1.920   1.920
  149   2HG   GLU  23          2HG       GLU  23   9.328   1.716   1.716
  150    H    MET  24           H        MET  24   8.593  -0.075  -0.075
  151    HA   MET  24           HA       MET  24   7.710  -1.913  -1.913
  152   1HB   MET  24          1HB       MET  24  10.666  -1.520  -1.520
  153   2HB   MET  24          2HB       MET  24   9.740  -3.008  -3.008
  154   1HG   MET  24          1HG       MET  24   8.584  -1.847  -1.847
  155   2HG   MET  24          2HG       MET  24  10.102  -0.973  -0.973
  156   1HE   MET  24          1HE       MET  24   8.258  -3.617  -3.617
  157   2HE   MET  24          2HE       MET  24   9.281  -5.060  -5.060
  158   3HE   MET  24          3HE       MET  24   8.541  -4.700  -4.700
  159    H    ASN  25           H        ASN  25   8.302  -2.299  -2.299
  160    HA   ASN  25           HA       ASN  25   8.570  -0.051  -0.051
  161   1HB   ASN  25          1HB       ASN  25   8.784  -1.584  -1.584
  162   2HB   ASN  25          2HB       ASN  25   7.731  -2.365  -2.365
  163   1HD2  ASN  25          1HD2      ASN  25   9.793  -3.198  -3.198
  164   2HD2  ASN  25          2HD2      ASN  25  10.739  -4.430  -4.430
  165    H    GLU  26           H        GLU  26  10.656  -1.120  -1.120
  166    HA   GLU  26           HA       GLU  26  12.868   0.187   0.187
  167   1HB   GLU  26          1HB       GLU  26  12.027  -0.275  -0.275
  168   2HB   GLU  26          2HB       GLU  26  13.272  -1.502  -1.502
  169   1HG   GLU  26          1HG       GLU  26  14.410   0.820   0.820
  170   2HG   GLU  26          2HG       GLU  26  13.558   1.404   1.404
  171    H    GLU  27           H        GLU  27  12.240  -3.246  -3.246
  172    HA   GLU  27           HA       GLU  27  14.689  -4.118  -4.118
  173   1HB   GLU  27          1HB       GLU  27  12.224  -5.722  -5.722
  174   2HB   GLU  27          2HB       GLU  27  13.816  -6.392  -6.392
  175   1HG   GLU  27          1HG       GLU  27  13.948  -4.159  -4.159
  176   2HG   GLU  27          2HG       GLU  27  12.835  -5.395  -5.395
  177    H    GLY  28           H        GLY  28  11.890  -3.015  -3.015
  178   1HA   GLY  28          1HA       GLY  28  11.103  -3.122  -3.122
  179   2HA   GLY  28          2HA       GLY  28  12.634  -3.832  -3.832
  180    H    ASP  29           H        ASP  29  10.395  -5.234  -5.234
  181    HA   ASP  29           HA       ASP  29   9.882  -7.363  -7.363
  182   1HB   ASP  29          1HB       ASP  29  11.216  -7.517  -7.517
  183   2HB   ASP  29          2HB       ASP  29   9.618  -8.166  -8.166
  184    H    LYS  30           H        LYS  30   8.615  -4.766  -4.766
  185    HA   LYS  30           HA       LYS  30   5.956  -5.982  -5.982
  186   1HB   LYS  30          1HB       LYS  30   7.416  -5.337  -5.337
  187   2HB   LYS  30          2HB       LYS  30   6.255  -4.038  -4.038
  188   1HG   LYS  30          1HG       LYS  30   4.782  -5.471  -5.471
  189   2HG   LYS  30          2HG       LYS  30   4.672  -6.222  -6.222
  190   1HD   LYS  30          1HD       LYS  30   5.939  -8.056  -8.056
  191   2HD   LYS  30          2HD       LYS  30   6.978  -7.121  -7.121
  192   1HE   LYS  30          1HE       LYS  30   5.528  -7.293  -7.293
  193   2HE   LYS  30          2HE       LYS  30   4.087  -7.470  -7.470
  194   1HZ   LYS  30          1HZ       LYS  30   6.028  -9.601  -9.601
  195   2HZ   LYS  30          2HZ       LYS  30   5.361  -9.495  -9.495
  196    H    ALA  31           H        ALA  31   4.749  -4.910  -4.910
  197    HA   ALA  31           HA       ALA  31   5.588  -2.381  -2.381
  198   1HB   ALA  31          1HB       ALA  31   3.187  -4.184  -4.184
  199   2HB   ALA  31          2HB       ALA  31   3.331  -2.598  -2.598
  200   3HB   ALA  31          3HB       ALA  31   4.544  -3.863  -3.863
  201    H    VAL  32           H        VAL  32   5.540  -0.706  -0.706
  202    HA   VAL  32           HA       VAL  32   3.125  -0.423  -0.423
  203    HB   VAL  32           HB       VAL  32   5.808   0.970   0.970
  204   1HG1  VAL  32          1HG1      VAL  32   3.354   1.199   1.199
  205   2HG1  VAL  32          2HG1      VAL  32   4.976   1.731   1.731
  206   3HG1  VAL  32          3HG1      VAL  32   4.187   2.489   2.489
  207   1HG2  VAL  32          1HG2      VAL  32   4.618  -1.202  -1.202
  208   2HG2  VAL  32          2HG2      VAL  32   5.984  -1.376  -1.376
  209   3HG2  VAL  32          3HG2      VAL  32   6.146  -0.343  -0.343
  210    H    VAL  33           H        VAL  33   2.378   1.967   1.967
  211    HA   VAL  33           HA       VAL  33   2.020   2.991   2.991
  212    HB   VAL  33           HB       VAL  33   0.625   3.366   3.366
  213   1HG1  VAL  33          3HG1      VAL  33   0.868   5.585   5.585
  214   2HG1  VAL  33          1HG1      VAL  33   0.011   4.915   4.915
  215   3HG1  VAL  33          2HG1      VAL  33  -0.820   5.040   5.040
  216   1HG2  VAL  33          1HG2      VAL  33   0.262   1.502   1.502
  217   2HG2  VAL  33          2HG2      VAL  33  -1.029   2.084   2.084
  218   3HG2  VAL  33          3HG2      VAL  33  -0.858   2.770   2.770
  219    H    ILE  34           H        ILE  34   2.552   5.126   5.126
  220    HA   ILE  34           HA       ILE  34   4.368   6.457   6.457
  221    HB   ILE  34           HB       ILE  34   4.834   7.313   7.313
  222   1HG1  ILE  34          1HG1      ILE  34   4.975   4.296   4.296
  223   2HG1  ILE  34          2HG1      ILE  34   3.734   5.176   5.176
  224   1HG2  ILE  34          1HG2      ILE  34   6.298   7.001   7.001
  225   2HG2  ILE  34          2HG2      ILE  34   6.696   5.453   5.453
  226   3HG2  ILE  34          3HG2      ILE  34   7.020   6.985   6.985
  227   1HD1  ILE  34          3HD1      ILE  34   6.749   5.351   5.351
  228   2HD1  ILE  34          1HD1      ILE  34   5.628   4.358   4.358
  229   3HD1  ILE  34          2HD1      ILE  34   5.492   6.133   6.133
  230    H    ASN  35           H        ASN  35   1.625   6.707   6.707
  231    HA   ASN  35           HA       ASN  35   1.417   9.514   9.514
  232   1HB   ASN  35          1HB       ASN  35   1.430   8.562   8.562
  233   2HB   ASN  35          2HB       ASN  35  -0.264   8.260   8.260
  234   1HD2  ASN  35          1HD2      ASN  35   0.845  10.077  10.077
  235   2HD2  ASN  35          2HD2      ASN  35   0.324  11.680  11.680
  236    HA   PRO  36           HA       PRO  36  -1.958   7.601   7.601
  237   1HB   PRO  36          1HB       PRO  36  -2.050   9.423   9.423
  238   2HB   PRO  36          2HB       PRO  36  -1.049   7.985   7.985
  239   1HG   PRO  36          1HG       PRO  36  -0.242  10.792  10.792
  240   2HG   PRO  36          2HG       PRO  36   0.753   9.427   9.427
  241   1HD   PRO  36          1HD       PRO  36   0.583  10.616  10.616
  242   2HD   PRO  36          2HD       PRO  36   1.487   9.180   9.180
  243    H    ASP  37           H        ASP  37  -2.048   9.521   9.521
  244    HA   ASP  37           HA       ASP  37  -4.774  10.001  10.001
  245   1HB   ASP  37          1HB       ASP  37  -4.155  11.833  11.833
  246   2HB   ASP  37          2HB       ASP  37  -2.940  12.408  12.408
  247    H    SER  38           H        SER  38  -2.823   8.821   8.821
  248    HA   SER  38           HA       SER  38  -1.653   9.959   9.959
  249   1HB   SER  38          1HB       SER  38  -2.043   7.725   7.725
  250   2HB   SER  38          2HB       SER  38  -3.748   7.822   7.822
  251    HG   SER  38           HG       SER  38  -3.782   7.644   7.644
  252    H    ASP  39           H        ASP  39  -5.202   9.538   9.538
  253    HA   ASP  39           HA       ASP  39  -6.714  11.053  11.053
  254   1HB   ASP  39          1HB       ASP  39  -4.936  12.809  12.809
  255   2HB   ASP  39          2HB       ASP  39  -4.682  13.175  13.175
  256    H    LEU  40           H        LEU  40  -4.585   9.387   9.387
  257    HA   LEU  40           HA       LEU  40  -5.268  10.563  10.563
  258   1HB   LEU  40          1HB       LEU  40  -2.936   9.028   9.028
  259   2HB   LEU  40          2HB       LEU  40  -3.136  10.759  10.759
  260    HG   LEU  40           HG       LEU  40  -2.890  10.240  10.240
  261   1HD1  LEU  40          3HD1      LEU  40  -0.806   8.816   8.816
  262   2HD1  LEU  40          1HD1      LEU  40  -0.622   9.219   9.219
  263   3HD1  LEU  40          2HD1      LEU  40  -1.904   8.099   8.099
  264   1HD2  LEU  40          3HD2      LEU  40  -2.196  12.220  12.220
  265   2HD2  LEU  40          1HD2      LEU  40  -1.275  11.877  11.877
  266   3HD2  LEU  40          2HD2      LEU  40  -0.652  11.341  11.341
  267    H    ASP  41           H        ASP  41  -5.627   9.004   9.004
  268    HA   ASP  41           HA       ASP  41  -7.210   6.923   6.923
  269   1HB   ASP  41          1HB       ASP  41  -6.962   8.095   8.095
  270   2HB   ASP  41          2HB       ASP  41  -5.656   6.967   6.967
  271    H    CYS  42           H        CYS  42  -3.756   7.236   7.236
  272    HA   CYS  42           HA       CYS  42  -2.730   4.890   4.890
  273   1HB   CYS  42          1HB       CYS  42  -2.031   6.915   6.915
  274   2HB   CYS  42          2HB       CYS  42  -1.385   5.330   5.330
  275    H    VAL  43           H        VAL  43  -4.609   5.614   5.614
  276    HA   VAL  43           HA       VAL  43  -4.177   3.166   3.166
  277    HB   VAL  43           HB       VAL  43  -6.312   5.285   5.285
  278   1HG1  VAL  43          1HG1      VAL  43  -6.132   2.723   2.723
  279   2HG1  VAL  43          2HG1      VAL  43  -7.087   4.142   4.142
  280   3HG1  VAL  43          3HG1      VAL  43  -7.483   3.281   3.281
  281   1HG2  VAL  43          2HG2      VAL  43  -3.782   5.351   5.351
  282   2HG2  VAL  43          3HG2      VAL  43  -5.136   6.157   6.157
  283   3HG2  VAL  43          1HG2      VAL  43  -4.569   4.567   4.567
  284    H    GLU  44           H        GLU  44  -6.793   4.311   4.311
  285    HA   GLU  44           HA       GLU  44  -8.280   2.003   2.003
  286   1HB   GLU  44          1HB       GLU  44  -8.188   4.438   4.438
  287   2HB   GLU  44          2HB       GLU  44  -8.451   3.091   3.091
  288   1HG   GLU  44          1HG       GLU  44 -10.162   2.433   2.433
  289   2HG   GLU  44          2HG       GLU  44 -10.229   4.183   4.183
  290    H    GLU  45           H        GLU  45  -5.552   2.948   2.948
  291    HA   GLU  45           HA       GLU  45  -5.713   0.482   0.482
  292   1HB   GLU  45          1HB       GLU  45  -3.693   1.298   1.298
  293   2HB   GLU  45          2HB       GLU  45  -4.938   2.531   2.531
  294   1HG   GLU  45          1HG       GLU  45  -3.727   3.339   3.339
  295   2HG   GLU  45          2HG       GLU  45  -2.380   2.369   2.369
  296    H    ALA  46           H        ALA  46  -4.411   1.511   1.511
  297    HA   ALA  46           HA       ALA  46  -2.251  -0.424  -0.424
  298   1HB   ALA  46          1HB       ALA  46  -3.280   1.618   1.618
  299   2HB   ALA  46          2HB       ALA  46  -1.955   0.484   0.484
  300   3HB   ALA  46          3HB       ALA  46  -1.777   1.678   1.678
  301    H    ILE  47           H        ILE  47  -5.638  -0.276  -0.276
  302    HA   ILE  47           HA       ILE  47  -5.468  -2.516  -2.516
  303    HB   ILE  47           HB       ILE  47  -7.533  -0.463  -0.463
  304   1HG1  ILE  47          1HG1      ILE  47  -7.049  -1.488  -1.488
  305   2HG1  ILE  47          2HG1      ILE  47  -5.721  -0.589  -0.589
  306   1HG2  ILE  47          2HG2      ILE  47  -8.065  -3.274  -3.274
  307   2HG2  ILE  47          3HG2      ILE  47  -9.054  -1.945  -1.945
  308   3HG2  ILE  47          1HG2      ILE  47  -8.988  -2.228  -2.228
  309   1HD1  ILE  47          2HD1      ILE  47  -8.604   0.397   0.397
  310   2HD1  ILE  47          3HD1      ILE  47  -7.367   0.800   0.800
  311   3HD1  ILE  47          1HD1      ILE  47  -7.165   1.332   1.332
  312    H    ASP  48           H        ASP  48  -6.831  -1.509  -1.509
  313    HA   ASP  48           HA       ASP  48  -8.096  -3.911  -3.911
  314   1HB   ASP  48          1HB       ASP  48  -7.691  -1.445  -1.445
  315   2HB   ASP  48          2HB       ASP  48  -6.946  -2.609  -2.609
  316    H    SER  49           H        SER  49  -4.748  -3.035  -3.035
  317    HA   SER  49           HA       SER  49  -3.969  -5.181  -5.181
  318   1HB   SER  49          1HB       SER  49  -2.669  -2.708  -2.708
  319   2HB   SER  49          2HB       SER  49  -1.607  -4.088  -4.088
  320    HG   SER  49           HG       SER  49  -2.026  -4.159  -4.159
  321    H    CYS  50           H        CYS  50  -4.522  -4.451  -4.451
  322    HA   CYS  50           HA       CYS  50  -2.575  -6.351  -6.351
  323   1HB   CYS  50          1HB       CYS  50  -2.890  -4.350  -4.350
  324   2HB   CYS  50          2HB       CYS  50  -4.619  -4.620  -4.620
  325    HA   PRO  51           HA       PRO  51  -5.712  -9.427  -9.427
  326   1HB   PRO  51          1HB       PRO  51  -4.101 -11.603 -11.603
  327   2HB   PRO  51          2HB       PRO  51  -4.326 -10.830 -10.830
  328   1HG   PRO  51          1HG       PRO  51  -2.000 -10.692 -10.692
  329   2HG   PRO  51          2HG       PRO  51  -2.085 -10.294 -10.294
  330   1HD   PRO  51          1HD       PRO  51  -2.025  -8.446  -8.446
  331   2HD   PRO  51          2HD       PRO  51  -2.227  -8.054  -8.054
  332    H    ALA  52           H        ALA  52  -3.479  -9.216  -9.216
  333    HA   ALA  52           HA       ALA  52  -5.175 -10.849 -10.849
  334   1HB   ALA  52          3HB       ALA  52  -2.515  -9.503  -9.503
  335   2HB   ALA  52          1HB       ALA  52  -3.389  -9.759  -9.759
  336   3HB   ALA  52          2HB       ALA  52  -2.999 -11.146 -11.146
  337    H    GLU  53           H        GLU  53  -5.297  -7.688  -7.688
  338    HA   GLU  53           HA       GLU  53  -6.065  -5.765  -5.765
  339   1HB   GLU  53          1HB       GLU  53  -8.152  -7.873  -7.873
  340   2HB   GLU  53          2HB       GLU  53  -8.539  -6.400  -6.400
  341   1HG   GLU  53          1HG       GLU  53  -8.044  -5.069  -5.069
  342   2HG   GLU  53          2HG       GLU  53  -7.704  -6.558  -6.558
  343    H    ALA  54           H        ALA  54  -4.206  -6.596  -6.596
  344    HA   ALA  54           HA       ALA  54  -5.396  -6.696  -6.696
  345   1HB   ALA  54          3HB       ALA  54  -2.796  -7.105  -7.105
  346   2HB   ALA  54          1HB       ALA  54  -2.652  -6.104  -6.104
  347   3HB   ALA  54          2HB       ALA  54  -3.411  -7.711  -7.711
  348    H    ILE  55           H        ILE  55  -4.721  -4.249  -4.249
  349    HA   ILE  55           HA       ILE  55  -4.224  -2.214  -2.214
  350    HB   ILE  55           HB       ILE  55  -3.169  -2.477  -2.477
  351   1HG1  ILE  55          1HG1      ILE  55  -3.870   0.348   0.348
  352   2HG1  ILE  55          2HG1      ILE  55  -3.314  -0.457  -0.457
  353   1HG2  ILE  55          1HG2      ILE  55  -5.522  -2.455  -2.455
  354   2HG2  ILE  55          2HG2      ILE  55  -5.478  -0.696  -0.696
  355   3HG2  ILE  55          3HG2      ILE  55  -4.256  -1.466  -1.466
  356   1HD1  ILE  55          1HD1      ILE  55  -1.449  -1.394  -1.394
  357   2HD1  ILE  55          2HD1      ILE  55  -1.880   0.084   0.084
  358   3HD1  ILE  55          3HD1      ILE  55  -1.284   0.197   0.197
  359    H    VAL  56           H        VAL  56  -5.939  -1.543  -1.543
  360    HA   VAL  56           HA       VAL  56  -8.504  -1.336  -1.336
  361    HB   VAL  56           HB       VAL  56  -9.372  -1.278  -1.278
  362   1HG1  VAL  56          1HG1      VAL  56  -9.501  -3.190  -3.190
  363   2HG1  VAL  56          2HG1      VAL  56  -8.099  -3.894  -3.894
  364   3HG1  VAL  56          3HG1      VAL  56  -9.628  -3.635  -3.635
  365   1HG2  VAL  56          2HG2      VAL  56  -6.761  -1.107  -1.107
  366   2HG2  VAL  56          3HG2      VAL  56  -8.031  -1.763  -1.763
  367   3HG2  VAL  56          1HG2      VAL  56  -7.002  -2.867  -2.867
  368    H    ARG  57           H        ARG  57  -9.840   0.569   0.569
  369    HA   ARG  57           HA       ARG  57  -8.115   2.841   2.841
  370   1HB   ARG  57          1HB       ARG  57 -10.750   2.538   2.538
  371   2HB   ARG  57          2HB       ARG  57 -10.114   4.115   4.115
  372   1HG   ARG  57          1HG       ARG  57  -7.894   3.292   3.292
  373   2HG   ARG  57          2HG       ARG  57  -8.888   2.030   2.030
  374   1HD   ARG  57          1HD       ARG  57 -10.293   4.527   4.527
  375   2HD   ARG  57          2HD       ARG  57  -8.635   4.782   4.782
  376    HE   ARG  57           HE       ARG  57  -9.268   2.373   2.373
  377   1HH1  ARG  57          2HH2      ARG  57 -10.832   5.551   5.551
  378   2HH1  ARG  57          1HH2      ARG  57 -11.525   5.351   5.351
  379   1HH2  ARG  57          2HH1      ARG  57 -10.174   2.126   2.126
  380   2HH2  ARG  57          1HH1      ARG  57 -11.130   3.319   3.319
  381    H    SER  58           H        SER  58  -8.722   1.650   1.650
  382    HA   SER  58           HA       SER  58 -11.059   1.879   1.879
  383   1HB   SER  58          1HB       SER  58  -8.948   1.087   1.087
  384   2HB   SER  58          2HB       SER  58  -8.382   2.740   2.740
  385    HG   SER  58           HG       SER  58 -10.906   1.979   1.979

  Start of MODEL   12
    1    HA   PRO   1           HA       PRO   1  -5.702   7.664   7.664
    2   1HB   PRO   1          1HB       PRO   1  -3.592   6.513   6.513
    3   2HB   PRO   1          2HB       PRO   1  -3.853   8.244   8.244
    4   1HG   PRO   1          1HG       PRO   1  -4.306   6.377   6.377
    5   2HG   PRO   1          2HG       PRO   1  -4.150   8.122   8.122
    6   1HD   PRO   1          1HD       PRO   1  -6.579   6.611   6.611
    7   2HD   PRO   1          2HD       PRO   1  -6.433   8.356   8.356
    8    H    ILE   2           H        ILE   2  -3.828   5.589   5.589
    9    HA   ILE   2           HA       ILE   2  -5.750   3.416   3.416
   10    HB   ILE   2           HB       ILE   2  -4.394   2.740   2.740
   11   1HG1  ILE   2          1HG1      ILE   2  -2.231   3.597   3.597
   12   2HG1  ILE   2          2HG1      ILE   2  -2.317   3.566   3.566
   13   1HG2  ILE   2          3HG2      ILE   2  -5.265   5.608   5.608
   14   2HG2  ILE   2          1HG2      ILE   2  -4.463   4.984   4.984
   15   3HG2  ILE   2          2HG2      ILE   2  -5.971   4.235   4.235
   16   1HD1  ILE   2          1HD1      ILE   2  -3.291   6.047   6.047
   17   2HD1  ILE   2          2HD1      ILE   2  -2.313   5.871   5.871
   18   3HD1  ILE   2          3HD1      ILE   2  -1.544   5.723   5.723
   19    H    GLU   3           H        GLU   3  -5.363   1.395   1.395
   20    HA   GLU   3           HA       GLU   3  -2.898   1.201   1.201
   21   1HB   GLU   3          1HB       GLU   3  -5.297   1.280   1.280
   22   2HB   GLU   3          2HB       GLU   3  -5.366  -0.406  -0.406
   23   1HG   GLU   3          1HG       GLU   3  -3.896  -1.028  -1.028
   24   2HG   GLU   3          2HG       GLU   3  -2.768   0.245   0.245
   25    H    VAL   4           H        VAL   4  -2.170  -1.159  -1.159
   26    HA   VAL   4           HA       VAL   4  -2.796  -2.725  -2.725
   27    HB   VAL   4           HB       VAL   4  -0.588  -1.641  -1.641
   28   1HG1  VAL   4          1HG1      VAL   4  -0.450  -2.261  -2.261
   29   2HG1  VAL   4          2HG1      VAL   4   0.753  -3.325  -3.325
   30   3HG1  VAL   4          3HG1      VAL   4   0.841  -1.564  -1.564
   31   1HG2  VAL   4          2HG2      VAL   4  -1.233  -4.239  -4.239
   32   2HG2  VAL   4          3HG2      VAL   4   0.274  -3.418  -3.418
   33   3HG2  VAL   4          1HG2      VAL   4   0.237  -4.446  -4.446
   34    H    ASN   5           H        ASN   5  -2.817  -5.039  -5.039
   35    HA   ASN   5           HA       ASN   5  -3.686  -5.742  -5.742
   36   1HB   ASN   5          1HB       ASN   5  -3.395  -7.347  -7.347
   37   2HB   ASN   5          2HB       ASN   5  -4.056  -8.023  -8.023
   38   1HD2  ASN   5          1HD2      ASN   5  -6.015  -8.409  -8.409
   39   2HD2  ASN   5          2HD2      ASN   5  -7.173  -7.159  -7.159
   40    H    ASP   6           H        ASP   6  -2.850  -8.419  -8.419
   41    HA   ASP   6           HA       ASP   6   0.026  -8.060  -8.060
   42   1HB   ASP   6          1HB       ASP   6  -1.290  -8.438  -8.438
   43   2HB   ASP   6          2HB       ASP   6  -1.867  -9.962  -9.962
   44    H    ASP   7           H        ASP   7  -2.636  -9.993  -9.993
   45    HA   ASP   7           HA       ASP   7  -1.297 -12.359 -12.359
   46   1HB   ASP   7          1HB       ASP   7  -3.823 -11.223 -11.223
   47   2HB   ASP   7          2HB       ASP   7  -3.155 -11.644 -11.644
   48    H    CYS   8           H        CYS   8  -1.075  -9.181  -9.181
   49    HA   CYS   8           HA       CYS   8  -0.367  -9.767  -9.767
   50   1HB   CYS   8          1HB       CYS   8  -0.656  -7.515  -7.515
   51   2HB   CYS   8          2HB       CYS   8   0.157  -7.501  -7.501
   52    H    MET   9           H        MET   9   1.760 -10.021 -10.021
   53    HA   MET   9           HA       MET   9   3.663 -11.225 -11.225
   54   1HB   MET   9          1HB       MET   9   2.618 -12.614 -12.614
   55   2HB   MET   9          2HB       MET   9   3.440 -11.564 -11.564
   56   1HG   MET   9          1HG       MET   9   5.213 -12.986 -12.986
   57   2HG   MET   9          2HG       MET   9   5.502 -12.293 -12.293
   58   1HE   MET   9          3HE       MET   9   4.214 -14.856 -14.856
   59   2HE   MET   9          1HE       MET   9   5.395 -15.915 -15.915
   60   3HE   MET   9          2HE       MET   9   3.652 -16.224 -16.224
   61    H    ALA  10           H        ALA  10   3.831  -9.720  -9.720
   62    HA   ALA  10           HA       ALA  10   5.087  -7.419  -7.419
   63   1HB   ALA  10          1HB       ALA  10   6.953  -9.740  -9.740
   64   2HB   ALA  10          2HB       ALA  10   7.579  -8.275  -8.275
   65   3HB   ALA  10          3HB       ALA  10   6.892  -8.174  -8.174
   66    H    CYS  11           H        CYS  11   3.427  -7.999  -7.999
   67    HA   CYS  11           HA       CYS  11   4.600  -9.091  -9.091
   68   1HB   CYS  11          1HB       CYS  11   2.070  -7.655  -7.655
   69   2HB   CYS  11          2HB       CYS  11   2.560  -7.717  -7.717
   70    H    GLU  12           H        GLU  12   4.496  -5.912  -5.912
   71    HA   GLU  12           HA       GLU  12   5.398  -3.993  -3.993
   72   1HB   GLU  12          1HB       GLU  12   7.601  -4.087  -4.087
   73   2HB   GLU  12          2HB       GLU  12   7.349  -5.821  -5.821
   74   1HG   GLU  12          1HG       GLU  12   6.543  -5.328  -5.328
   75   2HG   GLU  12          2HG       GLU  12   7.495  -3.870  -3.870
   76    H    ALA  13           H        ALA  13   3.263  -5.347  -5.347
   77    HA   ALA  13           HA       ALA  13   3.645  -4.130  -4.130
   78   1HB   ALA  13          1HB       ALA  13   1.392  -5.511  -5.511
   79   2HB   ALA  13          2HB       ALA  13   1.078  -4.676  -4.676
   80   3HB   ALA  13          3HB       ALA  13   2.254  -6.011  -6.011
   81    H    CYS  14           H        CYS  14   1.689  -3.327  -3.327
   82    HA   CYS  14           HA       CYS  14   0.536  -1.036  -1.036
   83   1HB   CYS  14          1HB       CYS  14   0.002  -0.445  -0.445
   84   2HB   CYS  14          2HB       CYS  14  -0.318  -2.141  -2.141
   85    H    VAL  15           H        VAL  15   3.699  -1.746  -1.746
   86    HA   VAL  15           HA       VAL  15   4.407   0.998   0.998
   87    HB   VAL  15           HB       VAL  15   6.021  -1.560  -1.560
   88   1HG1  VAL  15          1HG1      VAL  15   7.018   1.006   1.006
   89   2HG1  VAL  15          2HG1      VAL  15   7.085   0.735   0.735
   90   3HG1  VAL  15          3HG1      VAL  15   7.902  -0.395  -0.395
   91   1HG2  VAL  15          1HG2      VAL  15   4.778   0.094   0.094
   92   2HG2  VAL  15          2HG2      VAL  15   4.371  -1.576  -1.576
   93   3HG2  VAL  15          3HG2      VAL  15   5.956  -1.217  -1.217
   94    H    GLU  16           H        GLU  16   4.616  -1.455  -1.455
   95    HA   GLU  16           HA       GLU  16   6.497   0.094   0.094
   96   1HB   GLU  16          1HB       GLU  16   5.283  -2.579  -2.579
   97   2HB   GLU  16          2HB       GLU  16   5.363  -1.814  -1.814
   98   1HG   GLU  16          1HG       GLU  16   7.835  -1.223  -1.223
   99   2HG   GLU  16          2HG       GLU  16   7.655  -2.397  -2.397
  100    H    ILE  17           H        ILE  17   3.091   0.110   0.110
  101    HA   ILE  17           HA       ILE  17   2.545   1.304   1.304
  102    HB   ILE  17           HB       ILE  17   1.149  -0.499  -0.499
  103   1HG1  ILE  17          1HG1      ILE  17   0.725   0.204   0.204
  104   2HG1  ILE  17          2HG1      ILE  17  -0.789   0.114   0.114
  105   1HG2  ILE  17          2HG2      ILE  17   0.114   2.181   2.181
  106   2HG2  ILE  17          3HG2      ILE  17  -0.834   0.676   0.676
  107   3HG2  ILE  17          1HG2      ILE  17   0.677   0.807   0.807
  108   1HD1  ILE  17          3HD1      ILE  17  -0.224   2.701   2.701
  109   2HD1  ILE  17          1HD1      ILE  17   0.709   2.492   2.492
  110   3HD1  ILE  17          2HD1      ILE  17  -1.041   2.166   2.166
  111    H    CYS  18           H        CYS  18   2.553   2.028   2.028
  112    HA   CYS  18           HA       CYS  18   2.843   4.819   4.819
  113   1HB   CYS  18          1HB       CYS  18   0.330   4.046   4.046
  114   2HB   CYS  18          2HB       CYS  18   0.848   4.256   4.256
  115    HA   PRO  19           HA       PRO  19   5.497   3.412   3.412
  116   1HB   PRO  19          1HB       PRO  19   7.800   4.594   4.594
  117   2HB   PRO  19          2HB       PRO  19   7.354   2.947   2.947
  118   1HG   PRO  19          1HG       PRO  19   7.255   5.363   5.363
  119   2HG   PRO  19          2HG       PRO  19   7.228   3.678   3.678
  120   1HD   PRO  19          1HD       PRO  19   4.991   5.471   5.471
  121   2HD   PRO  19          2HD       PRO  19   4.947   3.759   3.759
  122    H    ASP  20           H        ASP  20   4.041   6.154   6.154
  123    HA   ASP  20           HA       ASP  20   5.494   7.732   7.732
  124   1HB   ASP  20          1HB       ASP  20   4.642   8.518   8.518
  125   2HB   ASP  20          2HB       ASP  20   3.081   8.660   8.660
  126    H    VAL  21           H        VAL  21   2.775   5.642   5.642
  127    HA   VAL  21           HA       VAL  21   1.399   6.918   6.918
  128    HB   VAL  21           HB       VAL  21   0.368   4.946   4.946
  129   1HG1  VAL  21          3HG1      VAL  21  -0.867   6.279   6.279
  130   2HG1  VAL  21          1HG1      VAL  21  -1.873   5.845   5.845
  131   3HG1  VAL  21          2HG1      VAL  21  -0.967   4.583   4.583
  132   1HG2  VAL  21          1HG2      VAL  21   0.942   7.325   7.325
  133   2HG2  VAL  21          2HG2      VAL  21  -0.702   6.723   6.723
  134   3HG2  VAL  21          3HG2      VAL  21  -0.417   7.857   7.857
  135    H    PHE  22           H        PHE  22   3.016   4.011   4.011
  136    HA   PHE  22           HA       PHE  22   2.872   2.917   2.917
  137   1HB   PHE  22          1HB       PHE  22   2.619   1.390   1.390
  138   2HB   PHE  22          2HB       PHE  22   2.500   0.675   0.675
  139    HD1  PHE  22          2HD       PHE  22   0.559   1.449   1.449
  140    HD2  PHE  22          1HD       PHE  22   0.706   2.182   2.182
  141    HE1  PHE  22          2HE       PHE  22  -1.924   1.813   1.813
  142    HE2  PHE  22          1HE       PHE  22  -1.777   2.546   2.546
  143    HZ   PHE  22           HZ       PHE  22  -3.063   2.357   2.357
  144    H    GLU  23           H        GLU  23   4.871   2.450   2.450
  145    HA   GLU  23           HA       GLU  23   6.935   1.916   1.916
  146   1HB   GLU  23          1HB       GLU  23   7.868   3.881   3.881
  147   2HB   GLU  23          2HB       GLU  23   6.817   4.018   4.018
  148   1HG   GLU  23          1HG       GLU  23   8.261   2.330   2.330
  149   2HG   GLU  23          2HG       GLU  23   9.340   2.303   2.303
  150    H    MET  24           H        MET  24   8.858   0.685   0.685
  151    HA   MET  24           HA       MET  24   7.801  -1.485  -1.485
  152   1HB   MET  24          1HB       MET  24  10.768  -1.157  -1.157
  153   2HB   MET  24          2HB       MET  24   9.773  -2.582  -2.582
  154   1HG   MET  24          1HG       MET  24   9.903  -2.104  -2.104
  155   2HG   MET  24          2HG       MET  24   8.706  -0.867  -0.867
  156   1HE   MET  24          3HE       MET  24   8.929   1.132   1.132
  157   2HE   MET  24          1HE       MET  24  10.407   1.952   1.952
  158   3HE   MET  24          2HE       MET  24   9.893   0.429   0.429
  159    H    ASN  25           H        ASN  25   8.384  -2.189  -2.189
  160    HA   ASN  25           HA       ASN  25   8.836  -0.141  -0.141
  161   1HB   ASN  25          1HB       ASN  25   8.822  -1.890  -1.890
  162   2HB   ASN  25          2HB       ASN  25   7.698  -2.392  -2.392
  163   1HD2  ASN  25          1HD2      ASN  25   9.673  -3.673  -3.673
  164   2HD2  ASN  25          2HD2      ASN  25  10.442  -4.938  -4.938
  165    H    GLU  26           H        GLU  26  10.733  -1.569  -1.569
  166    HA   GLU  26           HA       GLU  26  13.105  -0.454  -0.454
  167   1HB   GLU  26          1HB       GLU  26  12.149  -1.232  -1.232
  168   2HB   GLU  26          2HB       GLU  26  13.317  -2.500  -2.500
  169   1HG   GLU  26          1HG       GLU  26  15.112  -0.880  -0.880
  170   2HG   GLU  26          2HG       GLU  26  13.984   0.461   0.461
  171    H    GLU  27           H        GLU  27  12.078  -3.904  -3.904
  172    HA   GLU  27           HA       GLU  27  14.425  -4.845  -4.845
  173   1HB   GLU  27          1HB       GLU  27  11.881  -6.327  -6.327
  174   2HB   GLU  27          2HB       GLU  27  13.383  -7.087  -7.087
  175   1HG   GLU  27          1HG       GLU  27  14.136  -5.255  -5.255
  176   2HG   GLU  27          2HG       GLU  27  12.634  -5.953  -5.953
  177    H    GLY  28           H        GLY  28  11.804  -3.261  -3.261
  178   1HA   GLY  28          1HA       GLY  28  10.861  -3.092  -3.092
  179   2HA   GLY  28          2HA       GLY  28  12.285  -3.895  -3.895
  180    H    ASP  29           H        ASP  29  10.161  -5.424  -5.424
  181    HA   ASP  29           HA       ASP  29   9.321  -7.256  -7.256
  182   1HB   ASP  29          1HB       ASP  29  10.742  -7.805  -7.805
  183   2HB   ASP  29          2HB       ASP  29   9.097  -8.197  -8.197
  184    H    LYS  30           H        LYS  30   8.401  -4.804  -4.804
  185    HA   LYS  30           HA       LYS  30   5.631  -5.784  -5.784
  186   1HB   LYS  30          1HB       LYS  30   6.513  -5.877  -5.877
  187   2HB   LYS  30          2HB       LYS  30   7.124  -4.239  -4.239
  188   1HG   LYS  30          1HG       LYS  30   4.813  -3.363  -3.363
  189   2HG   LYS  30          2HG       LYS  30   4.172  -4.994  -4.994
  190   1HD   LYS  30          1HD       LYS  30   3.882  -4.350  -4.350
  191   2HD   LYS  30          2HD       LYS  30   5.406  -5.209  -5.209
  192   1HE   LYS  30          1HE       LYS  30   6.211  -2.613  -2.613
  193   2HE   LYS  30          2HE       LYS  30   4.849  -2.348  -2.348
  194   1HZ   LYS  30          1HZ       LYS  30   6.890  -2.577  -2.577
  195   2HZ   LYS  30          2HZ       LYS  30   6.011  -3.916  -3.916
  196    H    ALA  31           H        ALA  31   4.476  -4.671  -4.671
  197    HA   ALA  31           HA       ALA  31   5.382  -2.204  -2.204
  198   1HB   ALA  31          1HB       ALA  31   4.043  -3.894  -3.894
  199   2HB   ALA  31          2HB       ALA  31   2.654  -3.545  -3.545
  200   3HB   ALA  31          3HB       ALA  31   3.291  -2.282  -2.282
  201    H    VAL  32           H        VAL  32   5.571  -0.525  -0.525
  202    HA   VAL  32           HA       VAL  32   3.379  -0.077  -0.077
  203    HB   VAL  32           HB       VAL  32   6.038   1.316   1.316
  204   1HG1  VAL  32          3HG1      VAL  32   3.878   1.588   1.588
  205   2HG1  VAL  32          1HG1      VAL  32   5.554   2.137   2.137
  206   3HG1  VAL  32          2HG1      VAL  32   4.564   2.854   2.854
  207   1HG2  VAL  32          3HG2      VAL  32   5.269  -1.172  -1.172
  208   2HG2  VAL  32          1HG2      VAL  32   6.883  -0.540  -0.540
  209   3HG2  VAL  32          2HG2      VAL  32   6.074  -0.021  -0.021
  210    H    VAL  33           H        VAL  33   2.705   2.342   2.342
  211    HA   VAL  33           HA       VAL  33   2.005   3.248   3.248
  212    HB   VAL  33           HB       VAL  33   0.909   3.982   3.982
  213   1HG1  VAL  33          2HG1      VAL  33   0.677   5.766   5.766
  214   2HG1  VAL  33          3HG1      VAL  33  -0.208   4.614   4.614
  215   3HG1  VAL  33          1HG1      VAL  33  -0.883   5.104   5.104
  216   1HG2  VAL  33          3HG2      VAL  33   0.591   1.576   1.576
  217   2HG2  VAL  33          1HG2      VAL  33  -0.751   2.414   2.414
  218   3HG2  VAL  33          2HG2      VAL  33  -0.643   2.425   2.425
  219    H    ILE  34           H        ILE  34   2.313   5.454   5.454
  220    HA   ILE  34           HA       ILE  34   4.215   6.915   6.915
  221    HB   ILE  34           HB       ILE  34   4.761   7.561   7.561
  222   1HG1  ILE  34          1HG1      ILE  34   4.933   4.563   4.563
  223   2HG1  ILE  34          2HG1      ILE  34   3.550   5.357   5.357
  224   1HG2  ILE  34          2HG2      ILE  34   6.316   7.598   7.598
  225   2HG2  ILE  34          3HG2      ILE  34   6.322   5.818   5.818
  226   3HG2  ILE  34          1HG2      ILE  34   6.971   6.695   6.695
  227   1HD1  ILE  34          2HD1      ILE  34   5.374   6.560   6.560
  228   2HD1  ILE  34          3HD1      ILE  34   6.470   5.298   5.298
  229   3HD1  ILE  34          1HD1      ILE  34   5.035   4.846   4.846
  230    H    ASN  35           H        ASN  35   1.516   6.873   6.873
  231    HA   ASN  35           HA       ASN  35   1.194   9.721   9.721
  232   1HB   ASN  35          1HB       ASN  35   1.449   8.833   8.833
  233   2HB   ASN  35          2HB       ASN  35  -0.145   8.135   8.135
  234   1HD2  ASN  35          1HD2      ASN  35   0.338   9.975   9.975
  235   2HD2  ASN  35          2HD2      ASN  35  -0.474  11.469  11.469
  236    HA   PRO  36           HA       PRO  36  -2.232   7.697   7.697
  237   1HB   PRO  36          1HB       PRO  36  -2.326   9.390   9.390
  238   2HB   PRO  36          2HB       PRO  36  -1.371   7.920   7.920
  239   1HG   PRO  36          1HG       PRO  36  -0.465  10.722  10.722
  240   2HG   PRO  36          2HG       PRO  36   0.472   9.298   9.298
  241   1HD   PRO  36          1HD       PRO  36   0.416  10.652  10.652
  242   2HD   PRO  36          2HD       PRO  36   1.261   9.164   9.164
  243    H    ASP  37           H        ASP  37  -2.502   9.312   9.312
  244    HA   ASP  37           HA       ASP  37  -5.113  10.075  10.075
  245   1HB   ASP  37          1HB       ASP  37  -4.188  11.930  11.930
  246   2HB   ASP  37          2HB       ASP  37  -3.137  12.404  12.404
  247    H    SER  38           H        SER  38  -3.391   8.657   8.657
  248    HA   SER  38           HA       SER  38  -2.541  10.166  10.166
  249   1HB   SER  38          1HB       SER  38  -1.933   7.796   7.796
  250   2HB   SER  38          2HB       SER  38  -3.587   7.300   7.300
  251    HG   SER  38           HG       SER  38  -3.159   7.285   7.285
  252    H    ASP  39           H        ASP  39  -5.301   7.862   7.862
  253    HA   ASP  39           HA       ASP  39  -7.105   7.979   7.979
  254   1HB   ASP  39          1HB       ASP  39  -7.386   9.762   9.762
  255   2HB   ASP  39          2HB       ASP  39  -7.605  10.857  10.857
  256    H    LEU  40           H        LEU  40  -4.748   8.628   8.628
  257    HA   LEU  40           HA       LEU  40  -5.700  10.783  10.783
  258   1HB   LEU  40          1HB       LEU  40  -3.454  11.255  11.255
  259   2HB   LEU  40          2HB       LEU  40  -3.580  11.239  11.239
  260    HG   LEU  40           HG       LEU  40  -2.822   8.635   8.635
  261   1HD1  LEU  40          2HD1      LEU  40  -2.277  10.067  10.067
  262   2HD1  LEU  40          3HD1      LEU  40  -0.714   9.995   9.995
  263   3HD1  LEU  40          1HD1      LEU  40  -1.592   8.493   8.493
  264   1HD2  LEU  40          3HD2      LEU  40  -2.060  10.332  10.332
  265   2HD2  LEU  40          1HD2      LEU  40  -0.888   9.126   9.126
  266   3HD2  LEU  40          2HD2      LEU  40  -0.815  10.798  10.798
  267    H    ASP  41           H        ASP  41  -6.579   7.927   7.927
  268    HA   ASP  41           HA       ASP  41  -7.282   6.657   6.657
  269   1HB   ASP  41          1HB       ASP  41  -6.309   8.534   8.534
  270   2HB   ASP  41          2HB       ASP  41  -4.944   7.451   7.451
  271    H    CYS  42           H        CYS  42  -3.776   7.125   7.125
  272    HA   CYS  42           HA       CYS  42  -2.741   4.760   4.760
  273   1HB   CYS  42          1HB       CYS  42  -2.051   6.755   6.755
  274   2HB   CYS  42          2HB       CYS  42  -1.366   5.165   5.165
  275    H    VAL  43           H        VAL  43  -4.767   5.516   5.516
  276    HA   VAL  43           HA       VAL  43  -4.344   3.046   3.046
  277    HB   VAL  43           HB       VAL  43  -6.543   5.113   5.113
  278   1HG1  VAL  43          3HG1      VAL  43  -7.272   2.909   2.909
  279   2HG1  VAL  43          1HG1      VAL  43  -5.861   2.874   2.874
  280   3HG1  VAL  43          2HG1      VAL  43  -7.117   4.116   4.116
  281   1HG2  VAL  43          2HG2      VAL  43  -3.812   4.883   4.883
  282   2HG2  VAL  43          3HG2      VAL  43  -4.812   6.323   6.323
  283   3HG2  VAL  43          1HG2      VAL  43  -5.083   5.350   5.350
  284    H    GLU  44           H        GLU  44  -6.550   4.234   4.234
  285    HA   GLU  44           HA       GLU  44  -8.298   2.044   2.044
  286   1HB   GLU  44          1HB       GLU  44  -8.701   4.366   4.366
  287   2HB   GLU  44          2HB       GLU  44  -7.838   3.758   3.758
  288   1HG   GLU  44          1HG       GLU  44  -9.468   1.800   1.800
  289   2HG   GLU  44          2HG       GLU  44 -10.376   2.571   2.571
  290    H    GLU  45           H        GLU  45  -5.317   2.766   2.766
  291    HA   GLU  45           HA       GLU  45  -5.603   0.322   0.322
  292   1HB   GLU  45          1HB       GLU  45  -3.545   1.039   1.039
  293   2HB   GLU  45          2HB       GLU  45  -4.714   2.344   2.344
  294   1HG   GLU  45          1HG       GLU  45  -3.450   2.995   2.995
  295   2HG   GLU  45          2HG       GLU  45  -2.146   2.055   2.055
  296    H    ALA  46           H        ALA  46  -4.104   1.514   1.514
  297    HA   ALA  46           HA       ALA  46  -2.096  -0.533  -0.533
  298   1HB   ALA  46          1HB       ALA  46  -3.151   1.528   1.528
  299   2HB   ALA  46          2HB       ALA  46  -1.827   0.397   0.397
  300   3HB   ALA  46          3HB       ALA  46  -1.638   1.591   1.591
  301    H    ILE  47           H        ILE  47  -5.499  -0.200  -0.200
  302    HA   ILE  47           HA       ILE  47  -5.422  -2.437  -2.437
  303    HB   ILE  47           HB       ILE  47  -7.403  -0.362  -0.362
  304   1HG1  ILE  47          1HG1      ILE  47  -7.080  -1.446  -1.446
  305   2HG1  ILE  47          2HG1      ILE  47  -5.745  -0.495  -0.495
  306   1HG2  ILE  47          1HG2      ILE  47  -8.159  -3.052  -3.052
  307   2HG2  ILE  47          2HG2      ILE  47  -9.213  -1.618  -1.618
  308   3HG2  ILE  47          3HG2      ILE  47  -8.685  -2.368  -2.368
  309   1HD1  ILE  47          1HD1      ILE  47  -7.860   1.081   1.081
  310   2HD1  ILE  47          2HD1      ILE  47  -8.513   0.311   0.311
  311   3HD1  ILE  47          3HD1      ILE  47  -6.992   1.233   1.233
  312    H    ASP  48           H        ASP  48  -6.784  -1.536  -1.536
  313    HA   ASP  48           HA       ASP  48  -8.011  -3.933  -3.933
  314   1HB   ASP  48          1HB       ASP  48  -7.632  -1.557  -1.557
  315   2HB   ASP  48          2HB       ASP  48  -6.646  -2.642  -2.642
  316    H    SER  49           H        SER  49  -4.616  -2.813  -2.813
  317    HA   SER  49           HA       SER  49  -3.831  -5.118  -5.118
  318   1HB   SER  49          1HB       SER  49  -1.541  -4.226  -4.226
  319   2HB   SER  49          2HB       SER  49  -2.643  -2.973  -2.973
  320    HG   SER  49           HG       SER  49  -1.677  -3.413  -3.413
  321    H    CYS  50           H        CYS  50  -4.395  -4.345  -4.345
  322    HA   CYS  50           HA       CYS  50  -2.572  -6.351  -6.351
  323   1HB   CYS  50          1HB       CYS  50  -2.819  -4.334  -4.334
  324   2HB   CYS  50          2HB       CYS  50  -4.557  -4.540  -4.540
  325    HA   PRO  51           HA       PRO  51  -5.834  -9.283  -9.283
  326   1HB   PRO  51          1HB       PRO  51  -4.338 -11.529 -11.529
  327   2HB   PRO  51          2HB       PRO  51  -4.481 -10.763 -10.763
  328   1HG   PRO  51          1HG       PRO  51  -2.205 -10.714 -10.714
  329   2HG   PRO  51          2HG       PRO  51  -2.222 -10.331 -10.331
  330   1HD   PRO  51          1HD       PRO  51  -2.138  -8.464  -8.464
  331   2HD   PRO  51          2HD       PRO  51  -2.272  -8.081  -8.081
  332    H    ALA  52           H        ALA  52  -3.697  -9.084  -9.084
  333    HA   ALA  52           HA       ALA  52  -5.510 -10.638 -10.638
  334   1HB   ALA  52          3HB       ALA  52  -2.880 -10.461 -10.461
  335   2HB   ALA  52          1HB       ALA  52  -3.202  -9.010  -9.010
  336   3HB   ALA  52          2HB       ALA  52  -3.806 -10.596 -10.596
  337    H    GLU  53           H        GLU  53  -5.447  -7.496  -7.496
  338    HA   GLU  53           HA       GLU  53  -6.150  -5.527  -5.527
  339   1HB   GLU  53          1HB       GLU  53  -8.561  -5.521  -5.521
  340   2HB   GLU  53          2HB       GLU  53  -8.168  -6.760  -6.760
  341   1HG   GLU  53          1HG       GLU  53  -8.772  -8.487  -8.487
  342   2HG   GLU  53          2HG       GLU  53  -8.146  -7.687  -7.687
  343    H    ALA  54           H        ALA  54  -4.359  -6.368  -6.368
  344    HA   ALA  54           HA       ALA  54  -5.604  -6.355  -6.355
  345   1HB   ALA  54          1HB       ALA  54  -2.914  -6.762  -6.762
  346   2HB   ALA  54          2HB       ALA  54  -2.920  -5.993  -5.993
  347   3HB   ALA  54          3HB       ALA  54  -3.697  -7.578  -7.578
  348    H    ILE  55           H        ILE  55  -4.811  -4.011  -4.011
  349    HA   ILE  55           HA       ILE  55  -4.176  -1.954  -1.954
  350    HB   ILE  55           HB       ILE  55  -4.448  -1.907  -1.907
  351   1HG1  ILE  55          1HG1      ILE  55  -1.826  -1.425  -1.425
  352   2HG1  ILE  55          2HG1      ILE  55  -2.461  -3.068  -3.068
  353   1HG2  ILE  55          1HG2      ILE  55  -4.985   0.269   0.269
  354   2HG2  ILE  55          2HG2      ILE  55  -3.345   0.261   0.261
  355   3HG2  ILE  55          3HG2      ILE  55  -3.568   0.315   0.315
  356   1HD1  ILE  55          2HD1      ILE  55  -2.827  -2.034  -2.034
  357   2HD1  ILE  55          3HD1      ILE  55  -1.120  -2.113  -2.113
  358   3HD1  ILE  55          1HD1      ILE  55  -2.129  -3.577  -3.577
  359    H    VAL  56           H        VAL  56  -5.788  -1.055  -1.055
  360    HA   VAL  56           HA       VAL  56  -8.356  -0.700  -0.700
  361    HB   VAL  56           HB       VAL  56  -9.234  -0.712  -0.712
  362   1HG1  VAL  56          1HG1      VAL  56  -9.274  -2.550  -2.550
  363   2HG1  VAL  56          2HG1      VAL  56  -8.298  -3.447  -3.447
  364   3HG1  VAL  56          3HG1      VAL  56  -9.924  -2.869  -2.869
  365   1HG2  VAL  56          3HG2      VAL  56  -7.047  -0.621  -0.621
  366   2HG2  VAL  56          1HG2      VAL  56  -7.947  -2.086  -2.086
  367   3HG2  VAL  56          2HG2      VAL  56  -6.612  -2.193  -2.193
  368    H    ARG  57           H        ARG  57  -9.661   1.183   1.183
  369    HA   ARG  57           HA       ARG  57  -7.762   3.360   3.360
  370   1HB   ARG  57          1HB       ARG  57 -10.553   3.106   3.106
  371   2HB   ARG  57          2HB       ARG  57 -10.127   4.645   4.645
  372   1HG   ARG  57          1HG       ARG  57  -8.227   4.916   4.916
  373   2HG   ARG  57          2HG       ARG  57  -8.399   3.279   3.279
  374   1HD   ARG  57          1HD       ARG  57  -9.411   4.667   4.667
  375   2HD   ARG  57          2HD       ARG  57 -10.754   3.942   3.942
  376    HE   ARG  57           HE       ARG  57  -9.870   6.542   6.542
  377   1HH1  ARG  57          2HH2      ARG  57 -12.086   4.874   4.874
  378   2HH1  ARG  57          1HH2      ARG  57 -13.215   6.186   6.186
  379   1HH2  ARG  57          2HH1      ARG  57 -11.342   8.238   8.238
  380   2HH2  ARG  57          1HH1      ARG  57 -12.768   8.175   8.175
  381    H    SER  58           H        SER  58  -7.887   1.994   1.994
  382    HA   SER  58           HA       SER  58  -9.873   2.191   2.191
  383   1HB   SER  58          1HB       SER  58  -7.506   1.329   1.329
  384   2HB   SER  58          2HB       SER  58  -7.017   2.983   2.983
  385    HG   SER  58           HG       SER  58  -9.031   1.492   1.492

  Start of MODEL   13
    1    HA   PRO   1           HA       PRO   1  -5.400   7.770   7.770
    2   1HB   PRO   1          1HB       PRO   1  -3.886   6.130   6.130
    3   2HB   PRO   1          2HB       PRO   1  -3.895   7.874   7.874
    4   1HG   PRO   1          1HG       PRO   1  -5.173   5.845   5.845
    5   2HG   PRO   1          2HG       PRO   1  -4.809   7.520   7.520
    6   1HD   PRO   1          1HD       PRO   1  -7.378   6.424   6.424
    7   2HD   PRO   1          2HD       PRO   1  -6.992   8.116   8.116
    8    H    ILE   2           H        ILE   2  -3.797   5.423   5.423
    9    HA   ILE   2           HA       ILE   2  -5.808   3.572   3.572
   10    HB   ILE   2           HB       ILE   2  -4.334   3.081   3.081
   11   1HG1  ILE   2          1HG1      ILE   2  -2.212   3.592   3.592
   12   2HG1  ILE   2          2HG1      ILE   2  -2.251   4.129   4.129
   13   1HG2  ILE   2          2HG2      ILE   2  -5.397   5.797   5.797
   14   2HG2  ILE   2          3HG2      ILE   2  -4.236   5.646   5.646
   15   3HG2  ILE   2          1HG2      ILE   2  -5.709   4.647   4.647
   16   1HD1  ILE   2          2HD1      ILE   2  -3.268   6.327   6.327
   17   2HD1  ILE   2          3HD1      ILE   2  -2.137   5.685   5.685
   18   3HD1  ILE   2          1HD1      ILE   2  -1.550   6.110   6.110
   19    H    GLU   3           H        GLU   3  -5.682   1.519   1.519
   20    HA   GLU   3           HA       GLU   3  -3.425   0.985   0.985
   21   1HB   GLU   3          1HB       GLU   3  -5.908   0.736   0.736
   22   2HB   GLU   3          2HB       GLU   3  -5.935  -0.706  -0.706
   23   1HG   GLU   3          1HG       GLU   3  -4.760  -1.918  -1.918
   24   2HG   GLU   3          2HG       GLU   3  -3.568  -0.651  -0.651
   25    H    VAL   4           H        VAL   4  -2.298  -1.112  -1.112
   26    HA   VAL   4           HA       VAL   4  -2.553  -2.378  -2.378
   27    HB   VAL   4           HB       VAL   4  -0.629  -1.031  -1.031
   28   1HG1  VAL   4          2HG1      VAL   4  -0.417  -1.547  -1.547
   29   2HG1  VAL   4          3HG1      VAL   4   1.144  -1.788  -1.788
   30   3HG1  VAL   4          1HG1      VAL   4   0.286  -0.236  -0.236
   31   1HG2  VAL   4          3HG2      VAL   4  -0.502  -3.714  -3.714
   32   2HG2  VAL   4          1HG2      VAL   4   0.839  -2.606  -2.606
   33   3HG2  VAL   4          2HG2      VAL   4   0.819  -3.486  -3.486
   34    H    ASN   5           H        ASN   5  -3.150  -2.709  -2.709
   35    HA   ASN   5           HA       ASN   5  -3.389  -4.375  -4.375
   36   1HB   ASN   5          1HB       ASN   5  -3.179  -6.014  -6.014
   37   2HB   ASN   5          2HB       ASN   5  -3.582  -6.739  -6.739
   38   1HD2  ASN   5          1HD2      ASN   5  -5.643  -7.236  -7.236
   39   2HD2  ASN   5          2HD2      ASN   5  -6.952  -6.186  -6.186
   40    H    ASP   6           H        ASP   6  -2.284  -6.924  -6.924
   41    HA   ASP   6           HA       ASP   6   0.574  -6.378  -6.378
   42   1HB   ASP   6          1HB       ASP   6  -0.303  -6.331  -6.331
   43   2HB   ASP   6          2HB       ASP   6  -0.959  -7.942  -7.942
   44    H    ASP   7           H        ASP   7  -2.154  -8.672  -8.672
   45    HA   ASP   7           HA       ASP   7  -0.767 -11.016 -11.016
   46   1HB   ASP   7          1HB       ASP   7  -3.396  -9.986  -9.986
   47   2HB   ASP   7          2HB       ASP   7  -2.825 -11.565 -11.565
   48    H    CYS   8           H        CYS   8  -0.875  -8.207  -8.207
   49    HA   CYS   8           HA       CYS   8  -0.745  -9.215  -9.215
   50   1HB   CYS   8          1HB       CYS   8  -0.725  -6.991  -6.991
   51   2HB   CYS   8          2HB       CYS   8  -0.052  -6.719  -6.719
   52    H    MET   9           H        MET   9   1.271  -9.433  -9.433
   53    HA   MET   9           HA       MET   9   3.290 -10.846 -10.846
   54   1HB   MET   9          1HB       MET   9   1.952 -11.212 -11.212
   55   2HB   MET   9          2HB       MET   9   3.694 -11.272 -11.272
   56   1HG   MET   9          1HG       MET   9   3.696 -13.391 -13.391
   57   2HG   MET   9          2HG       MET   9   3.087 -12.798 -12.798
   58   1HE   MET   9          3HE       MET   9   1.427 -13.353 -13.353
   59   2HE   MET   9          1HE       MET   9  -0.189 -12.966 -12.966
   60   3HE   MET   9          2HE       MET   9   0.324 -14.664 -14.664
   61    H    ALA  10           H        ALA  10   3.548  -9.410  -9.410
   62    HA   ALA  10           HA       ALA  10   4.779  -7.079  -7.079
   63   1HB   ALA  10          2HB       ALA  10   6.535  -9.329  -9.329
   64   2HB   ALA  10          3HB       ALA  10   7.294  -8.109  -8.109
   65   3HB   ALA  10          1HB       ALA  10   6.552  -7.619  -7.619
   66    H    CYS  11           H        CYS  11   3.265  -7.777  -7.777
   67    HA   CYS  11           HA       CYS  11   4.618  -9.048  -9.048
   68   1HB   CYS  11          1HB       CYS  11   2.053  -8.708  -8.708
   69   2HB   CYS  11          2HB       CYS  11   2.271  -7.237  -7.237
   70    H    GLU  12           H        GLU  12   4.309  -5.756  -5.756
   71    HA   GLU  12           HA       GLU  12   5.334  -3.900  -3.900
   72   1HB   GLU  12          1HB       GLU  12   7.066  -5.869  -5.869
   73   2HB   GLU  12          2HB       GLU  12   7.210  -4.226  -4.226
   74   1HG   GLU  12          1HG       GLU  12   8.757  -4.143  -4.143
   75   2HG   GLU  12          2HG       GLU  12   7.327  -3.625  -3.625
   76    H    ALA  13           H        ALA  13   3.185  -5.389  -5.389
   77    HA   ALA  13           HA       ALA  13   3.450  -4.084  -4.084
   78   1HB   ALA  13          1HB       ALA  13   2.036  -6.199  -6.199
   79   2HB   ALA  13          2HB       ALA  13   0.772  -4.948  -4.948
   80   3HB   ALA  13          3HB       ALA  13   1.583  -5.294  -5.294
   81    H    CYS  14           H        CYS  14   1.518  -3.459  -3.459
   82    HA   CYS  14           HA       CYS  14   0.189  -1.232  -1.232
   83   1HB   CYS  14          1HB       CYS  14  -0.277  -0.700  -0.700
   84   2HB   CYS  14          2HB       CYS  14  -0.504  -2.408  -2.408
   85    H    VAL  15           H        VAL  15   3.446  -1.740  -1.740
   86    HA   VAL  15           HA       VAL  15   3.990   1.037   1.037
   87    HB   VAL  15           HB       VAL  15   5.742  -1.427  -1.427
   88   1HG1  VAL  15          3HG1      VAL  15   6.390   1.475   1.475
   89   2HG1  VAL  15          1HG1      VAL  15   7.264   0.272   0.272
   90   3HG1  VAL  15          2HG1      VAL  15   7.323   0.187   0.187
   91   1HG2  VAL  15          2HG2      VAL  15   4.309   0.089   0.089
   92   2HG2  VAL  15          3HG2      VAL  15   4.426  -1.665  -1.665
   93   3HG2  VAL  15          1HG2      VAL  15   5.824  -0.770  -0.770
   94    H    GLU  16           H        GLU  16   4.266  -1.371  -1.371
   95    HA   GLU  16           HA       GLU  16   6.018   0.234   0.234
   96   1HB   GLU  16          1HB       GLU  16   4.527  -2.343  -2.343
   97   2HB   GLU  16          2HB       GLU  16   4.995  -1.498  -1.498
   98   1HG   GLU  16          1HG       GLU  16   7.084  -1.773  -1.773
   99   2HG   GLU  16          2HG       GLU  16   6.648  -3.226  -3.226
  100    H    ILE  17           H        ILE  17   2.641   0.290   0.290
  101    HA   ILE  17           HA       ILE  17   2.020   1.654   1.654
  102    HB   ILE  17           HB       ILE  17   0.654  -0.223  -0.223
  103   1HG1  ILE  17          1HG1      ILE  17   0.253   0.091   0.091
  104   2HG1  ILE  17          2HG1      ILE  17  -1.287   0.449   0.449
  105   1HG2  ILE  17          3HG2      ILE  17  -0.521   2.498   2.498
  106   2HG2  ILE  17          1HG2      ILE  17  -1.387   0.954   0.954
  107   3HG2  ILE  17          2HG2      ILE  17   0.070   1.279   1.279
  108   1HD1  ILE  17          2HD1      ILE  17  -0.357   2.930   2.930
  109   2HD1  ILE  17          3HD1      ILE  17   0.697   2.305   2.305
  110   3HD1  ILE  17          1HD1      ILE  17  -1.073   2.233   2.233
  111    H    CYS  18           H        CYS  18   1.981   2.086   2.086
  112    HA   CYS  18           HA       CYS  18   2.183   4.950   4.950
  113   1HB   CYS  18          1HB       CYS  18  -0.197   3.913   3.913
  114   2HB   CYS  18          2HB       CYS  18   0.530   4.159   4.159
  115    HA   PRO  19           HA       PRO  19   5.267   3.369   3.369
  116   1HB   PRO  19          1HB       PRO  19   7.465   4.512   4.512
  117   2HB   PRO  19          2HB       PRO  19   6.936   2.880   2.880
  118   1HG   PRO  19          1HG       PRO  19   6.674   5.317   5.317
  119   2HG   PRO  19          2HG       PRO  19   6.547   3.638   3.638
  120   1HD   PRO  19          1HD       PRO  19   4.382   5.477   5.477
  121   2HD   PRO  19          2HD       PRO  19   4.252   3.770   3.770
  122    H    ASP  20           H        ASP  20   3.795   6.165   6.165
  123    HA   ASP  20           HA       ASP  20   5.501   7.659   7.659
  124   1HB   ASP  20          1HB       ASP  20   3.827   8.308   8.308
  125   2HB   ASP  20          2HB       ASP  20   3.198   9.164   9.164
  126    H    VAL  21           H        VAL  21   2.782   5.610   5.610
  127    HA   VAL  21           HA       VAL  21   1.606   6.962   6.962
  128    HB   VAL  21           HB       VAL  21   0.359   4.984   4.984
  129   1HG1  VAL  21          2HG1      VAL  21  -0.528   6.216   6.216
  130   2HG1  VAL  21          3HG1      VAL  21  -1.729   6.146   6.146
  131   3HG1  VAL  21          1HG1      VAL  21  -0.956   4.652   4.652
  132   1HG2  VAL  21          1HG2      VAL  21   0.861   7.233   7.233
  133   2HG2  VAL  21          2HG2      VAL  21  -0.871   6.825   6.825
  134   3HG2  VAL  21          3HG2      VAL  21  -0.187   7.958   7.958
  135    H    PHE  22           H        PHE  22   3.050   4.008   4.008
  136    HA   PHE  22           HA       PHE  22   3.094   2.939   2.939
  137   1HB   PHE  22          1HB       PHE  22   2.751   1.330   1.330
  138   2HB   PHE  22          2HB       PHE  22   2.566   0.723   0.723
  139    HD1  PHE  22          2HD       PHE  22   0.650   1.777   1.777
  140    HD2  PHE  22          1HD       PHE  22   0.878   2.026   2.026
  141    HE1  PHE  22          2HE       PHE  22  -1.813   2.244   2.244
  142    HE2  PHE  22          1HE       PHE  22  -1.586   2.493   2.493
  143    HZ   PHE  22           HZ       PHE  22  -2.903   2.597   2.597
  144    H    GLU  23           H        GLU  23   5.181   2.727   2.727
  145    HA   GLU  23           HA       GLU  23   7.097   2.060   2.060
  146   1HB   GLU  23          1HB       GLU  23   7.897   4.147   4.147
  147   2HB   GLU  23          2HB       GLU  23   7.153   4.150   4.150
  148   1HG   GLU  23          1HG       GLU  23   9.594   4.068   4.068
  149   2HG   GLU  23          2HG       GLU  23   8.900   2.567   2.567
  150    H    MET  24           H        MET  24   8.126   0.125   0.125
  151    HA   MET  24           HA       MET  24   7.502  -1.708  -1.708
  152   1HB   MET  24          1HB       MET  24  10.452  -1.393  -1.393
  153   2HB   MET  24          2HB       MET  24   9.473  -2.845  -2.845
  154   1HG   MET  24          1HG       MET  24   8.178  -1.576  -1.576
  155   2HG   MET  24          2HG       MET  24   9.617  -0.579  -0.579
  156   1HE   MET  24          3HE       MET  24   9.065  -1.745  -1.745
  157   2HE   MET  24          1HE       MET  24  10.752  -1.228  -1.228
  158   3HE   MET  24          2HE       MET  24  10.401  -2.811  -2.811
  159    H    ASN  25           H        ASN  25   8.323  -2.552  -2.552
  160    HA   ASN  25           HA       ASN  25   8.719  -0.609  -0.609
  161   1HB   ASN  25          1HB       ASN  25   7.975  -3.121  -3.121
  162   2HB   ASN  25          2HB       ASN  25   9.686  -3.486  -3.486
  163   1HD2  ASN  25          1HD2      ASN  25  10.293  -3.823  -3.823
  164   2HD2  ASN  25          2HD2      ASN  25   9.827  -2.932  -2.932
  165    H    GLU  26           H        GLU  26  10.974  -2.341  -2.341
  166    HA   GLU  26           HA       GLU  26  13.139  -0.889  -0.889
  167   1HB   GLU  26          1HB       GLU  26  12.418  -1.022  -1.022
  168   2HB   GLU  26          2HB       GLU  26  13.604  -2.311  -2.311
  169   1HG   GLU  26          1HG       GLU  26  15.334  -0.826  -0.826
  170   2HG   GLU  26          2HG       GLU  26  14.180   0.440   0.440
  171    H    GLU  27           H        GLU  27  11.740  -4.018  -4.018
  172    HA   GLU  27           HA       GLU  27  14.299  -5.207  -5.207
  173   1HB   GLU  27          1HB       GLU  27  11.911  -6.806  -6.806
  174   2HB   GLU  27          2HB       GLU  27  13.600  -7.268  -7.268
  175   1HG   GLU  27          1HG       GLU  27  13.570  -4.934  -4.934
  176   2HG   GLU  27          2HG       GLU  27  12.085  -5.747  -5.747
  177    H    GLY  28           H        GLY  28  11.339  -4.071  -4.071
  178   1HA   GLY  28          1HA       GLY  28  10.419  -4.189  -4.189
  179   2HA   GLY  28          2HA       GLY  28  11.758  -5.189  -5.189
  180    H    ASP  29           H        ASP  29   9.505  -5.852  -5.852
  181    HA   ASP  29           HA       ASP  29   8.542  -8.120  -8.120
  182   1HB   ASP  29          1HB       ASP  29  10.082  -8.298  -8.298
  183   2HB   ASP  29          2HB       ASP  29   8.482  -8.283  -8.283
  184    H    LYS  30           H        LYS  30   7.787  -5.131  -5.131
  185    HA   LYS  30           HA       LYS  30   4.983  -5.702  -5.702
  186   1HB   LYS  30          1HB       LYS  30   5.872  -6.195  -6.195
  187   2HB   LYS  30          2HB       LYS  30   6.133  -4.468  -4.468
  188   1HG   LYS  30          1HG       LYS  30   3.701  -4.101  -4.101
  189   2HG   LYS  30          2HG       LYS  30   3.473  -5.838  -5.838
  190   1HD   LYS  30          1HD       LYS  30   3.070  -5.712  -5.712
  191   2HD   LYS  30          2HD       LYS  30   4.752  -5.282  -5.282
  192   1HE   LYS  30          1HE       LYS  30   4.295  -3.025  -3.025
  193   2HE   LYS  30          2HE       LYS  30   2.920  -3.069  -3.069
  194   1HZ   LYS  30          1HZ       LYS  30   3.002  -3.899  -3.899
  195   2HZ   LYS  30          2HZ       LYS  30   2.014  -2.805  -2.805
  196    H    ALA  31           H        ALA  31   4.001  -4.069  -4.069
  197    HA   ALA  31           HA       ALA  31   5.564  -1.754  -1.754
  198   1HB   ALA  31          3HB       ALA  31   3.542  -3.235  -3.235
  199   2HB   ALA  31          1HB       ALA  31   2.717  -1.732  -1.732
  200   3HB   ALA  31          2HB       ALA  31   4.162  -1.662  -1.662
  201    H    VAL  32           H        VAL  32   5.833  -0.196  -0.196
  202    HA   VAL  32           HA       VAL  32   3.742   0.245   0.245
  203    HB   VAL  32           HB       VAL  32   6.429   1.567   1.567
  204   1HG1  VAL  32          3HG1      VAL  32   4.266   1.933   1.933
  205   2HG1  VAL  32          1HG1      VAL  32   5.958   2.016   2.016
  206   3HG1  VAL  32          2HG1      VAL  32   5.373   3.124   3.124
  207   1HG2  VAL  32          3HG2      VAL  32   6.441  -0.913  -0.913
  208   2HG2  VAL  32          1HG2      VAL  32   7.305   0.120   0.120
  209   3HG2  VAL  32          2HG2      VAL  32   5.688  -0.511  -0.511
  210    H    VAL  33           H        VAL  33   2.634   2.271   2.271
  211    HA   VAL  33           HA       VAL  33   2.051   3.535   3.535
  212    HB   VAL  33           HB       VAL  33   1.006   4.137   4.137
  213   1HG1  VAL  33          2HG1      VAL  33   0.636   5.815   5.815
  214   2HG1  VAL  33          3HG1      VAL  33  -0.370   4.570   4.570
  215   3HG1  VAL  33          1HG1      VAL  33  -0.822   5.208   5.208
  216   1HG2  VAL  33          3HG2      VAL  33  -0.029   2.161   2.161
  217   2HG2  VAL  33          1HG2      VAL  33   0.667   1.773   1.773
  218   3HG2  VAL  33          2HG2      VAL  33  -0.883   2.641   2.641
  219    H    ILE  34           H        ILE  34   2.517   5.663   5.663
  220    HA   ILE  34           HA       ILE  34   4.357   7.060   7.060
  221    HB   ILE  34           HB       ILE  34   4.816   7.873   7.873
  222   1HG1  ILE  34          1HG1      ILE  34   4.954   4.858   4.858
  223   2HG1  ILE  34          2HG1      ILE  34   3.733   5.739   5.739
  224   1HG2  ILE  34          1HG2      ILE  34   6.305   7.670   7.670
  225   2HG2  ILE  34          2HG2      ILE  34   6.645   6.037   6.037
  226   3HG2  ILE  34          3HG2      ILE  34   7.027   7.463   7.463
  227   1HD1  ILE  34          3HD1      ILE  34   6.734   6.060   6.060
  228   2HD1  ILE  34          1HD1      ILE  34   5.766   4.841   4.841
  229   3HD1  ILE  34          2HD1      ILE  34   5.421   6.573   6.573
  230    H    ASN  35           H        ASN  35   1.703   7.229   7.229
  231    HA   ASN  35           HA       ASN  35   1.302   9.980   9.980
  232   1HB   ASN  35          1HB       ASN  35   1.718   9.382   9.382
  233   2HB   ASN  35          2HB       ASN  35   0.088   8.741   8.741
  234   1HD2  ASN  35          1HD2      ASN  35   1.311  11.047  11.047
  235   2HD2  ASN  35          2HD2      ASN  35   0.351  12.433  12.433
  236    HA   PRO  36           HA       PRO  36  -2.205   7.610   7.610
  237   1HB   PRO  36          1HB       PRO  36  -2.432   8.930   8.930
  238   2HB   PRO  36          2HB       PRO  36  -1.464   7.484   7.484
  239   1HG   PRO  36          1HG       PRO  36  -0.573  10.291  10.291
  240   2HG   PRO  36          2HG       PRO  36   0.354   8.820   8.820
  241   1HD   PRO  36          1HD       PRO  36   0.424  10.570  10.570
  242   2HD   PRO  36          2HD       PRO  36   1.262   9.041   9.041
  243    H    ASP  37           H        ASP  37  -2.337   9.613   9.613
  244    HA   ASP  37           HA       ASP  37  -4.969  10.266  10.266
  245   1HB   ASP  37          1HB       ASP  37  -4.301  11.793  11.793
  246   2HB   ASP  37          2HB       ASP  37  -3.106  12.550  12.550
  247    H    SER  38           H        SER  38  -3.124   9.301   9.301
  248    HA   SER  38           HA       SER  38  -2.393  11.481  11.481
  249   1HB   SER  38          1HB       SER  38  -1.611   8.769   8.769
  250   2HB   SER  38          2HB       SER  38  -2.299   8.865   8.865
  251    HG   SER  38           HG       SER  38  -0.641  11.033  11.033
  252    H    ASP  39           H        ASP  39  -4.093   8.432   8.432
  253    HA   ASP  39           HA       ASP  39  -5.779   8.057   8.057
  254   1HB   ASP  39          1HB       ASP  39  -6.921   9.343   9.343
  255   2HB   ASP  39          2HB       ASP  39  -6.954  10.731  10.731
  256    H    LEU  40           H        LEU  40  -3.675   9.085   9.085
  257    HA   LEU  40           HA       LEU  40  -4.530  11.409  11.409
  258   1HB   LEU  40          1HB       LEU  40  -2.142   9.832   9.832
  259   2HB   LEU  40          2HB       LEU  40  -2.388  11.566  11.566
  260    HG   LEU  40           HG       LEU  40  -2.494  10.735  10.735
  261   1HD1  LEU  40          1HD1      LEU  40  -0.327   9.290   9.290
  262   2HD1  LEU  40          2HD1      LEU  40  -0.230   9.627   9.627
  263   3HD1  LEU  40          3HD1      LEU  40  -1.543   8.609   8.609
  264   1HD2  LEU  40          3HD2      LEU  40  -1.579  12.847  12.847
  265   2HD2  LEU  40          1HD2      LEU  40  -0.622  12.158  12.158
  266   3HD2  LEU  40          2HD2      LEU  40  -0.095  11.929  11.929
  267    H    ASP  41           H        ASP  41  -5.738   8.446   8.446
  268    HA   ASP  41           HA       ASP  41  -7.132   7.615   7.615
  269   1HB   ASP  41          1HB       ASP  41  -6.530   9.728   9.728
  270   2HB   ASP  41          2HB       ASP  41  -5.426   8.647   8.647
  271    H    CYS  42           H        CYS  42  -3.927   7.214   7.214
  272    HA   CYS  42           HA       CYS  42  -3.546   4.985   4.985
  273   1HB   CYS  42          1HB       CYS  42  -1.171   5.065   5.065
  274   2HB   CYS  42          2HB       CYS  42  -1.681   6.349   6.349
  275    H    VAL  43           H        VAL  43  -5.185   5.426   5.426
  276    HA   VAL  43           HA       VAL  43  -3.894   3.394   3.394
  277    HB   VAL  43           HB       VAL  43  -6.142   5.353   5.353
  278   1HG1  VAL  43          2HG1      VAL  43  -5.519   2.917   2.917
  279   2HG1  VAL  43          3HG1      VAL  43  -6.356   4.346   4.346
  280   3HG1  VAL  43          1HG1      VAL  43  -7.081   3.423   3.423
  281   1HG2  VAL  43          2HG2      VAL  43  -3.449   4.864   4.864
  282   2HG2  VAL  43          3HG2      VAL  43  -4.053   6.330   6.330
  283   3HG2  VAL  43          1HG2      VAL  43  -4.699   5.861   5.861
  284    H    GLU  44           H        GLU  44  -6.524   3.868   3.868
  285    HA   GLU  44           HA       GLU  44  -7.872   1.493   1.493
  286   1HB   GLU  44          1HB       GLU  44  -9.460   2.025   2.025
  287   2HB   GLU  44          2HB       GLU  44  -8.923   3.581   3.581
  288   1HG   GLU  44          1HG       GLU  44  -7.126   3.431   3.431
  289   2HG   GLU  44          2HG       GLU  44  -8.194   2.215   2.215
  290    H    GLU  45           H        GLU  45  -5.447   2.483   2.483
  291    HA   GLU  45           HA       GLU  45  -5.647  -0.002  -0.002
  292   1HB   GLU  45          1HB       GLU  45  -3.768   0.880   0.880
  293   2HB   GLU  45          2HB       GLU  45  -5.061   2.055   2.055
  294   1HG   GLU  45          1HG       GLU  45  -3.664   2.879   2.879
  295   2HG   GLU  45          2HG       GLU  45  -2.340   2.069   2.069
  296    H    ALA  46           H        ALA  46  -4.284   1.003   1.003
  297    HA   ALA  46           HA       ALA  46  -1.982  -0.765  -0.765
  298   1HB   ALA  46          3HB       ALA  46  -1.973   1.576   1.576
  299   2HB   ALA  46          1HB       ALA  46  -2.909   0.857   0.857
  300   3HB   ALA  46          2HB       ALA  46  -1.273   0.257   0.257
  301    H    ILE  47           H        ILE  47  -5.315  -0.690  -0.690
  302    HA   ILE  47           HA       ILE  47  -4.905  -2.959  -2.959
  303    HB   ILE  47           HB       ILE  47  -7.140  -1.057  -1.057
  304   1HG1  ILE  47          1HG1      ILE  47  -6.577  -1.879  -1.879
  305   2HG1  ILE  47          2HG1      ILE  47  -5.169  -1.178  -1.178
  306   1HG2  ILE  47          2HG2      ILE  47  -7.428  -3.796  -3.796
  307   2HG2  ILE  47          3HG2      ILE  47  -8.596  -2.473  -2.473
  308   3HG2  ILE  47          1HG2      ILE  47  -8.305  -3.126  -3.126
  309   1HD1  ILE  47          1HD1      ILE  47  -7.571   0.348   0.348
  310   2HD1  ILE  47          2HD1      ILE  47  -7.387   0.167   0.167
  311   3HD1  ILE  47          3HD1      ILE  47  -6.075   0.887   0.887
  312    H    ASP  48           H        ASP  48  -6.540  -2.072  -2.072
  313    HA   ASP  48           HA       ASP  48  -7.730  -4.491  -4.491
  314   1HB   ASP  48          1HB       ASP  48  -7.380  -2.078  -2.078
  315   2HB   ASP  48          2HB       ASP  48  -6.575  -3.235  -3.235
  316    H    SER  49           H        SER  49  -4.418  -3.255  -3.255
  317    HA   SER  49           HA       SER  49  -3.665  -5.550  -5.550
  318   1HB   SER  49          1HB       SER  49  -2.053  -3.322  -3.322
  319   2HB   SER  49          2HB       SER  49  -1.318  -4.587  -4.587
  320    HG   SER  49           HG       SER  49  -1.713  -2.795  -2.795
  321    H    CYS  50           H        CYS  50  -4.058  -4.828  -4.828
  322    HA   CYS  50           HA       CYS  50  -2.083  -6.738  -6.738
  323   1HB   CYS  50          1HB       CYS  50  -2.295  -4.828  -4.828
  324   2HB   CYS  50          2HB       CYS  50  -4.042  -4.956  -4.956
  325    HA   PRO  51           HA       PRO  51  -5.190  -9.851  -9.851
  326   1HB   PRO  51          1HB       PRO  51  -3.553 -12.008 -12.008
  327   2HB   PRO  51          2HB       PRO  51  -3.804 -11.252 -11.252
  328   1HG   PRO  51          1HG       PRO  51  -1.460 -11.073 -11.073
  329   2HG   PRO  51          2HG       PRO  51  -1.568 -10.694 -10.694
  330   1HD   PRO  51          1HD       PRO  51  -1.501  -8.822  -8.822
  331   2HD   PRO  51          2HD       PRO  51  -1.725  -8.450  -8.450
  332    H    ALA  52           H        ALA  52  -3.016  -9.424  -9.424
  333    HA   ALA  52           HA       ALA  52  -4.564 -11.156 -11.156
  334   1HB   ALA  52          1HB       ALA  52  -1.986  -9.769  -9.769
  335   2HB   ALA  52          2HB       ALA  52  -2.852  -9.607  -9.607
  336   3HB   ALA  52          3HB       ALA  52  -2.505 -11.223 -11.223
  337    H    GLU  53           H        GLU  53  -4.992  -8.072  -8.072
  338    HA   GLU  53           HA       GLU  53  -5.940  -6.201  -6.201
  339   1HB   GLU  53          1HB       GLU  53  -8.306  -6.502  -6.502
  340   2HB   GLU  53          2HB       GLU  53  -7.745  -7.825  -7.825
  341   1HG   GLU  53          1HG       GLU  53  -7.559  -8.621  -8.621
  342   2HG   GLU  53          2HG       GLU  53  -9.164  -7.983  -7.983
  343    H    ALA  54           H        ALA  54  -4.060  -6.788  -6.788
  344    HA   ALA  54           HA       ALA  54  -5.324  -6.918  -6.918
  345   1HB   ALA  54          1HB       ALA  54  -3.074  -7.932  -7.932
  346   2HB   ALA  54          2HB       ALA  54  -2.432  -6.272  -6.272
  347   3HB   ALA  54          3HB       ALA  54  -3.082  -6.960  -6.960
  348    H    ILE  55           H        ILE  55  -4.792  -4.516  -4.516
  349    HA   ILE  55           HA       ILE  55  -4.419  -2.383  -2.383
  350    HB   ILE  55           HB       ILE  55  -4.721  -2.332  -2.332
  351   1HG1  ILE  55          1HG1      ILE  55  -2.706  -3.560  -3.560
  352   2HG1  ILE  55          2HG1      ILE  55  -2.403  -2.349  -2.349
  353   1HG2  ILE  55          3HG2      ILE  55  -4.517  -0.219  -0.219
  354   2HG2  ILE  55          1HG2      ILE  55  -3.386  -0.058  -0.058
  355   3HG2  ILE  55          2HG2      ILE  55  -5.138  -0.159  -0.159
  356   1HD1  ILE  55          2HD1      ILE  55  -2.494  -1.153  -1.153
  357   2HD1  ILE  55          3HD1      ILE  55  -1.286  -2.458  -2.458
  358   3HD1  ILE  55          1HD1      ILE  55  -1.202  -1.085  -1.085
  359    H    VAL  56           H        VAL  56  -6.022  -1.125  -1.125
  360    HA   VAL  56           HA       VAL  56  -8.622  -1.215  -1.215
  361    HB   VAL  56           HB       VAL  56  -9.587  -1.376  -1.376
  362   1HG1  VAL  56          2HG1      VAL  56  -9.320  -3.171  -3.171
  363   2HG1  VAL  56          3HG1      VAL  56  -8.433  -4.019  -4.019
  364   3HG1  VAL  56          1HG1      VAL  56 -10.127  -3.533  -3.533
  365   1HG2  VAL  56          3HG2      VAL  56  -6.732  -2.197  -2.197
  366   2HG2  VAL  56          1HG2      VAL  56  -7.824  -1.259  -1.259
  367   3HG2  VAL  56          2HG2      VAL  56  -8.022  -3.022  -3.022
  368    H    ARG  57           H        ARG  57 -10.124   0.488   0.488
  369    HA   ARG  57           HA       ARG  57  -8.417   2.815   2.815
  370   1HB   ARG  57          1HB       ARG  57 -10.450   4.140   4.140
  371   2HB   ARG  57          2HB       ARG  57  -9.944   3.017   3.017
  372   1HG   ARG  57          1HG       ARG  57 -11.727   1.502   1.502
  373   2HG   ARG  57          2HG       ARG  57 -12.014   2.171   2.171
  374   1HD   ARG  57          1HD       ARG  57 -12.486   3.723   3.723
  375   2HD   ARG  57          2HD       ARG  57 -13.742   2.835   2.835
  376    HE   ARG  57           HE       ARG  57 -12.310   4.714   4.714
  377   1HH1  ARG  57          2HH2      ARG  57 -15.002   4.361   4.361
  378   2HH1  ARG  57          1HH2      ARG  57 -15.870   5.723   5.723
  379   1HH2  ARG  57          2HH1      ARG  57 -13.448   6.480   6.480
  380   2HH2  ARG  57          1HH1      ARG  57 -14.942   6.974   6.974
  381    H    SER  58           H        SER  58  -9.443   0.652   0.652
  382    HA   SER  58           HA       SER  58 -10.523   0.501   0.501
  383   1HB   SER  58          1HB       SER  58  -8.311   1.673   1.673
  384   2HB   SER  58          2HB       SER  58  -9.183   3.193   3.193
  385    HG   SER  58           HG       SER  58 -10.052   1.006   1.006

  Start of MODEL   14
    1    HA   PRO   1           HA       PRO   1  -8.135   5.742   5.742
    2   1HB   PRO   1          1HB       PRO   1  -6.584   6.743   6.743
    3   2HB   PRO   1          2HB       PRO   1  -7.723   7.717   7.717
    4   1HG   PRO   1          1HG       PRO   1  -4.776   7.653   7.653
    5   2HG   PRO   1          2HG       PRO   1  -5.887   8.885   8.885
    6   1HD   PRO   1          1HD       PRO   1  -4.548   6.916   6.916
    7   2HD   PRO   1          2HD       PRO   1  -5.747   8.073   8.073
    8    H    ILE   2           H        ILE   2  -5.040   5.550   5.550
    9    HA   ILE   2           HA       ILE   2  -5.648   2.834   2.834
   10    HB   ILE   2           HB       ILE   2  -3.908   3.005   3.005
   11   1HG1  ILE   2          1HG1      ILE   2  -2.166   3.695   3.695
   12   2HG1  ILE   2          2HG1      ILE   2  -2.081   4.589   4.589
   13   1HG2  ILE   2          3HG2      ILE   2  -5.742   5.200   5.200
   14   2HG2  ILE   2          1HG2      ILE   2  -4.214   5.777   5.777
   15   3HG2  ILE   2          2HG2      ILE   2  -5.097   4.435   4.435
   16   1HD1  ILE   2          3HD1      ILE   2  -3.469   6.405   6.405
   17   2HD1  ILE   2          1HD1      ILE   2  -3.145   5.516   5.516
   18   3HD1  ILE   2          2HD1      ILE   2  -1.795   6.196   6.196
   19    H    GLU   3           H        GLU   3  -4.955   1.012   1.012
   20    HA   GLU   3           HA       GLU   3  -2.633   1.258   1.258
   21   1HB   GLU   3          1HB       GLU   3  -5.004   1.469   1.469
   22   2HB   GLU   3          2HB       GLU   3  -5.000  -0.278  -0.278
   23   1HG   GLU   3          1HG       GLU   3  -3.953   0.053   0.053
   24   2HG   GLU   3          2HG       GLU   3  -2.587  -0.166  -0.166
   25    H    VAL   4           H        VAL   4  -1.610  -0.855  -0.855
   26    HA   VAL   4           HA       VAL   4  -2.269  -2.785  -2.785
   27    HB   VAL   4           HB       VAL   4   0.028  -1.586  -1.586
   28   1HG1  VAL   4          1HG1      VAL   4   0.204  -3.805  -3.805
   29   2HG1  VAL   4          2HG1      VAL   4   1.602  -2.929  -2.929
   30   3HG1  VAL   4          3HG1      VAL   4   0.377  -2.056  -2.056
   31   1HG2  VAL   4          3HG2      VAL   4  -0.691  -3.606  -3.606
   32   2HG2  VAL   4          1HG2      VAL   4   1.039  -3.285  -3.285
   33   3HG2  VAL   4          2HG2      VAL   4   0.222  -4.574  -4.574
   34    H    ASN   5           H        ASN   5  -1.648  -5.155  -5.155
   35    HA   ASN   5           HA       ASN   5  -2.865  -5.510  -5.510
   36   1HB   ASN   5          1HB       ASN   5  -2.949  -7.171  -7.171
   37   2HB   ASN   5          2HB       ASN   5  -3.323  -7.908  -7.908
   38   1HD2  ASN   5          1HD2      ASN   5  -5.416  -8.284  -8.284
   39   2HD2  ASN   5          2HD2      ASN   5  -6.634  -7.052  -7.052
   40    H    ASP   6           H        ASP   6  -2.225  -8.242  -8.242
   41    HA   ASP   6           HA       ASP   6   0.669  -8.062  -8.062
   42   1HB   ASP   6          1HB       ASP   6  -0.592  -8.354  -8.354
   43   2HB   ASP   6          2HB       ASP   6  -1.340  -9.808  -9.808
   44    H    ASP   7           H        ASP   7  -2.136 -10.022 -10.022
   45    HA   ASP   7           HA       ASP   7  -0.780 -12.358 -12.358
   46   1HB   ASP   7          1HB       ASP   7  -3.204 -11.124 -11.124
   47   2HB   ASP   7          2HB       ASP   7  -2.708 -12.795 -12.795
   48    H    CYS   8           H        CYS   8  -0.761  -9.204  -9.204
   49    HA   CYS   8           HA       CYS   8  -0.420  -9.755  -9.755
   50   1HB   CYS   8          1HB       CYS   8  -0.560  -7.508  -7.508
   51   2HB   CYS   8          2HB       CYS   8   0.317  -7.534  -7.534
   52    H    MET   9           H        MET   9   1.451 -10.215 -10.215
   53    HA   MET   9           HA       MET   9   3.548 -11.512 -11.512
   54   1HB   MET   9          1HB       MET   9   2.263 -12.699 -12.699
   55   2HB   MET   9          2HB       MET   9   2.961 -11.562 -11.562
   56   1HG   MET   9          1HG       MET   9   5.091 -12.498 -12.498
   57   2HG   MET   9          2HG       MET   9   4.889 -12.987 -12.987
   58   1HE   MET   9          3HE       MET   9   6.225 -14.341 -14.341
   59   2HE   MET   9          1HE       MET   9   5.939 -15.867 -15.867
   60   3HE   MET   9          2HE       MET   9   5.443 -15.705 -15.705
   61    H    ALA  10           H        ALA  10   2.878  -8.707  -8.707
   62    HA   ALA  10           HA       ALA  10   4.197  -6.874  -6.874
   63   1HB   ALA  10          2HB       ALA  10   5.693  -8.168  -8.168
   64   2HB   ALA  10          3HB       ALA  10   6.756  -8.391  -8.391
   65   3HB   ALA  10          1HB       ALA  10   6.313  -6.751  -6.751
   66    H    CYS  11           H        CYS  11   3.174  -7.692  -7.692
   67    HA   CYS  11           HA       CYS  11   4.936  -8.956  -8.956
   68   1HB   CYS  11          1HB       CYS  11   2.199  -8.294  -8.294
   69   2HB   CYS  11          2HB       CYS  11   2.841  -7.443  -7.443
   70    H    GLU  12           H        GLU  12   4.176  -5.632  -5.632
   71    HA   GLU  12           HA       GLU  12   5.287  -3.774  -3.774
   72   1HB   GLU  12          1HB       GLU  12   7.213  -5.684  -5.684
   73   2HB   GLU  12          2HB       GLU  12   7.201  -4.417  -4.417
   74   1HG   GLU  12          1HG       GLU  12   7.904  -2.766  -2.766
   75   2HG   GLU  12          2HG       GLU  12   7.193  -3.568  -3.568
   76    H    ALA  13           H        ALA  13   3.284  -5.292  -5.292
   77    HA   ALA  13           HA       ALA  13   3.652  -3.953  -3.953
   78   1HB   ALA  13          2HB       ALA  13   2.106  -6.052  -6.052
   79   2HB   ALA  13          3HB       ALA  13   0.914  -4.788  -4.788
   80   3HB   ALA  13          1HB       ALA  13   2.026  -5.379  -5.379
   81    H    CYS  14           H        CYS  14   1.485  -3.436  -3.436
   82    HA   CYS  14           HA       CYS  14   0.207  -1.202  -1.202
   83   1HB   CYS  14          1HB       CYS  14  -0.586  -0.803  -0.803
   84   2HB   CYS  14          2HB       CYS  14  -0.568  -2.534  -2.534
   85    H    VAL  15           H        VAL  15   3.368  -1.727  -1.727
   86    HA   VAL  15           HA       VAL  15   3.830   1.029   1.029
   87    HB   VAL  15           HB       VAL  15   5.639  -1.389  -1.389
   88   1HG1  VAL  15          2HG1      VAL  15   6.582   1.105   1.105
   89   2HG1  VAL  15          3HG1      VAL  15   6.427   1.052   1.052
   90   3HG1  VAL  15          1HG1      VAL  15   7.432  -0.152  -0.152
   91   1HG2  VAL  15          2HG2      VAL  15   4.103  -0.044  -0.044
   92   2HG2  VAL  15          3HG2      VAL  15   4.177  -1.768  -1.768
   93   3HG2  VAL  15          1HG2      VAL  15   5.575  -0.987  -0.987
   94    H    GLU  16           H        GLU  16   4.540  -1.254  -1.254
   95    HA   GLU  16           HA       GLU  16   6.168   0.642   0.642
   96   1HB   GLU  16          1HB       GLU  16   5.471  -2.151  -2.151
   97   2HB   GLU  16          2HB       GLU  16   5.212  -1.364  -1.364
   98   1HG   GLU  16          1HG       GLU  16   7.456  -1.617  -1.617
   99   2HG   GLU  16          2HG       GLU  16   7.633  -0.256  -0.256
  100    H    ILE  17           H        ILE  17   2.740  -0.051  -0.051
  101    HA   ILE  17           HA       ILE  17   2.132   1.297   1.297
  102    HB   ILE  17           HB       ILE  17   0.930  -0.701  -0.701
  103   1HG1  ILE  17          1HG1      ILE  17   0.770  -0.447  -0.447
  104   2HG1  ILE  17          2HG1      ILE  17  -0.865  -0.530  -0.530
  105   1HG2  ILE  17          3HG2      ILE  17  -0.645   1.860   1.860
  106   2HG2  ILE  17          1HG2      ILE  17  -1.321   0.227   0.227
  107   3HG2  ILE  17          2HG2      ILE  17  -0.015   0.790   0.790
  108   1HD1  ILE  17          2HD1      ILE  17  -0.078   2.219   2.219
  109   2HD1  ILE  17          3HD1      ILE  17   0.363   1.532   1.532
  110   3HD1  ILE  17          1HD1      ILE  17  -1.317   1.429   1.429
  111    H    CYS  18           H        CYS  18   2.073   1.858   1.858
  112    HA   CYS  18           HA       CYS  18   1.757   4.686   4.686
  113   1HB   CYS  18          1HB       CYS  18  -0.453   3.407   3.407
  114   2HB   CYS  18          2HB       CYS  18   0.226   3.600   3.600
  115    HA   PRO  19           HA       PRO  19   5.034   3.650   3.650
  116   1HB   PRO  19          1HB       PRO  19   7.106   4.894   4.894
  117   2HB   PRO  19          2HB       PRO  19   6.742   3.191   3.191
  118   1HG   PRO  19          1HG       PRO  19   6.235   5.424   5.424
  119   2HG   PRO  19          2HG       PRO  19   6.279   3.704   3.704
  120   1HD   PRO  19          1HD       PRO  19   3.940   5.344   5.344
  121   2HD   PRO  19          2HD       PRO  19   3.983   3.605   3.605
  122    H    ASP  20           H        ASP  20   3.250   6.178   6.178
  123    HA   ASP  20           HA       ASP  20   4.812   8.013   8.013
  124   1HB   ASP  20          1HB       ASP  20   3.589   8.476   8.476
  125   2HB   ASP  20          2HB       ASP  20   2.205   8.766   8.766
  126    H    VAL  21           H        VAL  21   2.329   5.695   5.695
  127    HA   VAL  21           HA       VAL  21   1.082   7.101   7.101
  128    HB   VAL  21           HB       VAL  21  -0.080   5.003   5.003
  129   1HG1  VAL  21          3HG1      VAL  21  -0.768   5.320   5.320
  130   2HG1  VAL  21          1HG1      VAL  21  -1.802   6.568   6.568
  131   3HG1  VAL  21          2HG1      VAL  21  -1.931   4.877   4.877
  132   1HG2  VAL  21          2HG2      VAL  21   0.217   7.267   7.267
  133   2HG2  VAL  21          3HG2      VAL  21  -1.482   6.749   6.749
  134   3HG2  VAL  21          1HG2      VAL  21  -0.823   7.934   7.934
  135    H    PHE  22           H        PHE  22   2.658   4.176   4.176
  136    HA   PHE  22           HA       PHE  22   2.830   3.228   3.228
  137   1HB   PHE  22          1HB       PHE  22   2.479   1.511   1.511
  138   2HB   PHE  22          2HB       PHE  22   2.421   0.939   0.939
  139    HD1  PHE  22          2HD       PHE  22   0.528   1.987   1.987
  140    HD2  PHE  22          1HD       PHE  22   0.496   1.981   1.981
  141    HE1  PHE  22          2HE       PHE  22  -1.962   2.297   2.297
  142    HE2  PHE  22          1HE       PHE  22  -1.995   2.291   2.291
  143    HZ   PHE  22           HZ       PHE  22  -3.194   2.445   2.445
  144    H    GLU  23           H        GLU  23   4.911   2.874   2.874
  145    HA   GLU  23           HA       GLU  23   6.822   2.406   2.406
  146   1HB   GLU  23          1HB       GLU  23   7.571   4.487   4.487
  147   2HB   GLU  23          2HB       GLU  23   6.844   4.394   4.394
  148   1HG   GLU  23          1HG       GLU  23   8.668   3.207   3.207
  149   2HG   GLU  23          2HG       GLU  23   9.187   2.589   2.589
  150    H    MET  24           H        MET  24   8.127   0.612   0.612
  151    HA   MET  24           HA       MET  24   7.548  -1.419  -1.419
  152   1HB   MET  24          1HB       MET  24  10.412  -0.532  -0.532
  153   2HB   MET  24          2HB       MET  24   9.907  -2.180  -2.180
  154   1HG   MET  24          1HG       MET  24   9.172  -2.471  -2.471
  155   2HG   MET  24          2HG       MET  24   8.257  -0.977  -0.977
  156   1HE   MET  24          2HE       MET  24   9.779   1.375   1.375
  157   2HE   MET  24          3HE       MET  24  10.622   1.704   1.704
  158   3HE   MET  24          1HE       MET  24   8.939   1.125   1.125
  159    H    ASN  25           H        ASN  25   8.540  -2.416  -2.416
  160    HA   ASN  25           HA       ASN  25   8.621  -0.507  -0.507
  161   1HB   ASN  25          1HB       ASN  25   7.797  -3.006  -3.006
  162   2HB   ASN  25          2HB       ASN  25   9.485  -3.423  -3.423
  163   1HD2  ASN  25          1HD2      ASN  25   9.986  -3.802  -3.802
  164   2HD2  ASN  25          2HD2      ASN  25   9.397  -2.986  -2.986
  165    H    GLU  26           H        GLU  26  10.689  -2.228  -2.228
  166    HA   GLU  26           HA       GLU  26  12.910  -0.639  -0.639
  167   1HB   GLU  26          1HB       GLU  26  12.079  -2.095  -2.095
  168   2HB   GLU  26          2HB       GLU  26  13.365  -3.122  -3.122
  169   1HG   GLU  26          1HG       GLU  26  14.987  -1.313  -1.313
  170   2HG   GLU  26          2HG       GLU  26  13.735  -0.124  -0.124
  171    H    GLU  27           H        GLU  27  11.716  -3.699  -3.699
  172    HA   GLU  27           HA       GLU  27  14.010  -3.835  -3.835
  173   1HB   GLU  27          1HB       GLU  27  13.401  -6.528  -6.528
  174   2HB   GLU  27          2HB       GLU  27  14.952  -5.732  -5.732
  175   1HG   GLU  27          1HG       GLU  27  14.575  -4.506  -4.506
  176   2HG   GLU  27          2HG       GLU  27  13.000  -5.257  -5.257
  177    H    GLY  28           H        GLY  28  10.909  -3.406  -3.406
  178   1HA   GLY  28          1HA       GLY  28   9.251  -3.715  -3.715
  179   2HA   GLY  28          2HA       GLY  28  10.339  -4.666  -4.666
  180    H    ASP  29           H        ASP  29   9.807  -5.459  -5.459
  181    HA   ASP  29           HA       ASP  29   8.804  -8.007  -8.007
  182   1HB   ASP  29          1HB       ASP  29  10.436  -7.217  -7.217
  183   2HB   ASP  29          2HB       ASP  29   8.905  -7.249  -7.249
  184    H    LYS  30           H        LYS  30   7.545  -4.926  -4.926
  185    HA   LYS  30           HA       LYS  30   4.885  -5.844  -5.844
  186   1HB   LYS  30          1HB       LYS  30   5.574  -6.390  -6.390
  187   2HB   LYS  30          2HB       LYS  30   5.853  -4.682  -4.682
  188   1HG   LYS  30          1HG       LYS  30   3.543  -4.130  -4.130
  189   2HG   LYS  30          2HG       LYS  30   3.189  -5.650  -5.650
  190   1HD   LYS  30          1HD       LYS  30   2.923  -6.781  -6.781
  191   2HD   LYS  30          2HD       LYS  30   4.289  -5.984  -5.984
  192   1HE   LYS  30          1HE       LYS  30   1.872  -4.283  -4.283
  193   2HE   LYS  30          2HE       LYS  30   1.741  -5.496  -5.496
  194   1HZ   LYS  30          1HZ       LYS  30   3.693  -4.490  -4.490
  195   2HZ   LYS  30          2HZ       LYS  30   3.875  -3.437  -3.437
  196    H    ALA  31           H        ALA  31   4.778  -4.420  -4.420
  197    HA   ALA  31           HA       ALA  31   5.727  -1.940  -1.940
  198   1HB   ALA  31          3HB       ALA  31   4.390  -3.137  -3.137
  199   2HB   ALA  31          1HB       ALA  31   2.925  -2.914  -2.914
  200   3HB   ALA  31          2HB       ALA  31   3.735  -1.503  -1.503
  201    H    VAL  32           H        VAL  32   5.685  -0.076  -0.076
  202    HA   VAL  32           HA       VAL  32   3.627   0.164   0.164
  203    HB   VAL  32           HB       VAL  32   6.180   1.724   1.724
  204   1HG1  VAL  32          2HG1      VAL  32   4.084   1.732   1.732
  205   2HG1  VAL  32          3HG1      VAL  32   5.764   2.207   2.207
  206   3HG1  VAL  32          1HG1      VAL  32   4.819   3.104   3.104
  207   1HG2  VAL  32          3HG2      VAL  32   6.424  -0.772  -0.772
  208   2HG2  VAL  32          1HG2      VAL  32   7.248   0.349   0.349
  209   3HG2  VAL  32          2HG2      VAL  32   5.716  -0.418  -0.418
  210    H    VAL  33           H        VAL  33   2.903   2.563   2.563
  211    HA   VAL  33           HA       VAL  33   2.031   3.535   3.535
  212    HB   VAL  33           HB       VAL  33   1.032   4.098   4.098
  213   1HG1  VAL  33          2HG1      VAL  33   0.636   5.979   5.979
  214   2HG1  VAL  33          3HG1      VAL  33  -0.156   4.872   4.872
  215   3HG1  VAL  33          1HG1      VAL  33  -0.883   5.167   5.167
  216   1HG2  VAL  33          2HG2      VAL  33   0.741   1.753   1.753
  217   2HG2  VAL  33          3HG2      VAL  33  -0.501   2.434   2.434
  218   3HG2  VAL  33          1HG2      VAL  33  -0.639   2.645   2.645
  219    H    ILE  34           H        ILE  34   2.344   5.700   5.700
  220    HA   ILE  34           HA       ILE  34   4.254   7.175   7.175
  221    HB   ILE  34           HB       ILE  34   4.454   7.893   7.893
  222   1HG1  ILE  34          1HG1      ILE  34   5.006   4.959   4.959
  223   2HG1  ILE  34          2HG1      ILE  34   3.573   5.570   5.570
  224   1HG2  ILE  34          1HG2      ILE  34   6.065   7.882   7.882
  225   2HG2  ILE  34          2HG2      ILE  34   6.634   6.401   6.401
  226   3HG2  ILE  34          3HG2      ILE  34   6.662   7.953   7.953
  227   1HD1  ILE  34          2HD1      ILE  34   6.400   6.341   6.341
  228   2HD1  ILE  34          3HD1      ILE  34   5.644   4.837   4.837
  229   3HD1  ILE  34          1HD1      ILE  34   4.912   6.411   6.411
  230    H    ASN  35           H        ASN  35   1.425   7.208   7.208
  231    HA   ASN  35           HA       ASN  35   1.018   9.976   9.976
  232   1HB   ASN  35          1HB       ASN  35   1.223   9.203   9.203
  233   2HB   ASN  35          2HB       ASN  35  -0.440   8.693   8.693
  234   1HD2  ASN  35          1HD2      ASN  35   1.196  11.003  11.003
  235   2HD2  ASN  35          2HD2      ASN  35   0.248  12.416  12.416
  236    HA   PRO  36           HA       PRO  36  -2.278   7.563   7.563
  237   1HB   PRO  36          1HB       PRO  36  -2.355   8.949   8.949
  238   2HB   PRO  36          2HB       PRO  36  -1.363   7.524   7.524
  239   1HG   PRO  36          1HG       PRO  36  -0.537  10.360  10.360
  240   2HG   PRO  36          2HG       PRO  36   0.448   8.922   8.922
  241   1HD   PRO  36          1HD       PRO  36   0.284  10.603  10.603
  242   2HD   PRO  36          2HD       PRO  36   1.178   9.102   9.102
  243    H    ASP  37           H        ASP  37  -2.520   9.650   9.650
  244    HA   ASP  37           HA       ASP  37  -5.167  10.148  10.148
  245   1HB   ASP  37          1HB       ASP  37  -4.673  11.573  11.573
  246   2HB   ASP  37          2HB       ASP  37  -3.446  12.444  12.444
  247    H    SER  38           H        SER  38  -3.282   9.450   9.450
  248    HA   SER  38           HA       SER  38  -2.362  11.608  11.608
  249   1HB   SER  38          1HB       SER  38  -2.069   8.884   8.884
  250   2HB   SER  38          2HB       SER  38  -3.130   9.137   9.137
  251    HG   SER  38           HG       SER  38  -0.438   9.894   9.894
  252    H    ASP  39           H        ASP  39  -3.280  11.238  11.238
  253    HA   ASP  39           HA       ASP  39  -6.092  11.233  11.233
  254   1HB   ASP  39          1HB       ASP  39  -4.879  13.712  13.712
  255   2HB   ASP  39          2HB       ASP  39  -5.287  13.863  13.863
  256    H    LEU  40           H        LEU  40  -3.677  10.016  10.016
  257    HA   LEU  40           HA       LEU  40  -3.612  11.227  11.227
  258   1HB   LEU  40          1HB       LEU  40  -2.073   8.906   8.906
  259   2HB   LEU  40          2HB       LEU  40  -1.830   9.589   9.589
  260    HG   LEU  40           HG       LEU  40  -0.948  10.567  10.567
  261   1HD1  LEU  40          2HD1      LEU  40   0.088  10.319  10.319
  262   2HD1  LEU  40          3HD1      LEU  40   0.728  11.662  11.662
  263   3HD1  LEU  40          1HD1      LEU  40   0.874   9.987   9.987
  264   1HD2  LEU  40          3HD2      LEU  40  -1.982  12.477  12.477
  265   2HD2  LEU  40          1HD2      LEU  40  -2.479  12.347  12.347
  266   3HD2  LEU  40          2HD2      LEU  40  -0.853  12.942  12.942
  267    H    ASP  41           H        ASP  41  -3.223   8.931   8.931
  268    HA   ASP  41           HA       ASP  41  -5.802   7.612   7.612
  269   1HB   ASP  41          1HB       ASP  41  -5.675   9.306   9.306
  270   2HB   ASP  41          2HB       ASP  41  -4.430   8.312   8.312
  271    H    CYS  42           H        CYS  42  -3.014   6.858   6.858
  272    HA   CYS  42           HA       CYS  42  -2.486   4.633   4.633
  273   1HB   CYS  42          1HB       CYS  42  -0.340   4.545   4.545
  274   2HB   CYS  42          2HB       CYS  42  -0.461   5.629   5.629
  275    H    VAL  43           H        VAL  43  -4.021   5.538   5.538
  276    HA   VAL  43           HA       VAL  43  -3.373   3.257   3.257
  277    HB   VAL  43           HB       VAL  43  -5.674   5.214   5.214
  278   1HG1  VAL  43          3HG1      VAL  43  -5.916   2.995   2.995
  279   2HG1  VAL  43          1HG1      VAL  43  -4.547   3.521   3.521
  280   3HG1  VAL  43          2HG1      VAL  43  -6.052   4.472   4.472
  281   1HG2  VAL  43          2HG2      VAL  43  -2.918   5.238   5.238
  282   2HG2  VAL  43          3HG2      VAL  43  -3.604   6.426   6.426
  283   3HG2  VAL  43          1HG2      VAL  43  -4.262   6.286   6.286
  284    H    GLU  44           H        GLU  44  -6.312   4.251   4.251
  285    HA   GLU  44           HA       GLU  44  -7.805   2.059   2.059
  286   1HB   GLU  44          1HB       GLU  44  -8.039   4.267   4.267
  287   2HB   GLU  44          2HB       GLU  44  -7.710   3.096   3.096
  288   1HG   GLU  44          1HG       GLU  44  -9.860   2.390   2.390
  289   2HG   GLU  44          2HG       GLU  44  -9.606   1.866   1.866
  290    H    GLU  45           H        GLU  45  -4.789   2.291   2.291
  291    HA   GLU  45           HA       GLU  45  -5.274  -0.177  -0.177
  292   1HB   GLU  45          1HB       GLU  45  -2.522   0.924   0.924
  293   2HB   GLU  45          2HB       GLU  45  -3.546   0.444   0.444
  294   1HG   GLU  45          1HG       GLU  45  -4.934   2.596   2.596
  295   2HG   GLU  45          2HG       GLU  45  -3.559   3.085   3.085
  296    H    ALA  46           H        ALA  46  -3.502   1.094   1.094
  297    HA   ALA  46           HA       ALA  46  -1.873  -1.152  -1.152
  298   1HB   ALA  46          3HB       ALA  46  -2.612   1.344   1.344
  299   2HB   ALA  46          1HB       ALA  46  -2.366   0.007   0.007
  300   3HB   ALA  46          2HB       ALA  46  -1.069   0.457   0.457
  301    H    ILE  47           H        ILE  47  -5.294  -0.529  -0.529
  302    HA   ILE  47           HA       ILE  47  -5.542  -2.743  -2.743
  303    HB   ILE  47           HB       ILE  47  -7.214  -0.471  -0.471
  304   1HG1  ILE  47          1HG1      ILE  47  -7.887  -0.947  -0.947
  305   2HG1  ILE  47          2HG1      ILE  47  -6.298  -1.744  -1.744
  306   1HG2  ILE  47          1HG2      ILE  47  -8.327  -3.201  -3.201
  307   2HG2  ILE  47          2HG2      ILE  47  -9.221  -1.745  -1.745
  308   3HG2  ILE  47          3HG2      ILE  47  -8.821  -2.001  -2.001
  309   1HD1  ILE  47          2HD1      ILE  47  -5.978   0.715   0.715
  310   2HD1  ILE  47          3HD1      ILE  47  -6.981   1.086   1.086
  311   3HD1  ILE  47          1HD1      ILE  47  -5.392   0.315   0.315
  312    H    ASP  48           H        ASP  48  -6.683  -1.761  -1.761
  313    HA   ASP  48           HA       ASP  48  -7.942  -4.170  -4.170
  314   1HB   ASP  48          1HB       ASP  48  -7.602  -1.733  -1.733
  315   2HB   ASP  48          2HB       ASP  48  -6.686  -2.816  -2.816
  316    H    SER  49           H        SER  49  -4.576  -3.175  -3.175
  317    HA   SER  49           HA       SER  49  -3.749  -5.346  -5.346
  318   1HB   SER  49          1HB       SER  49  -2.141  -3.233  -3.233
  319   2HB   SER  49          2HB       SER  49  -1.447  -4.420  -4.420
  320    HG   SER  49           HG       SER  49  -3.196  -2.221  -2.221
  321    H    CYS  50           H        CYS  50  -4.444  -4.716  -4.716
  322    HA   CYS  50           HA       CYS  50  -2.533  -6.635  -6.635
  323   1HB   CYS  50          1HB       CYS  50  -2.961  -4.638  -4.638
  324   2HB   CYS  50          2HB       CYS  50  -4.672  -5.010  -5.010
  325    HA   PRO  51           HA       PRO  51  -5.623  -9.714  -9.714
  326   1HB   PRO  51          1HB       PRO  51  -4.019 -11.891 -11.891
  327   2HB   PRO  51          2HB       PRO  51  -4.168 -11.080 -11.080
  328   1HG   PRO  51          1HG       PRO  51  -1.940 -10.977 -10.977
  329   2HG   PRO  51          2HG       PRO  51  -1.940 -10.538 -10.538
  330   1HD   PRO  51          1HD       PRO  51  -2.002  -8.744  -8.744
  331   2HD   PRO  51          2HD       PRO  51  -2.120  -8.311  -8.311
  332    H    ALA  52           H        ALA  52  -3.538  -9.538  -9.538
  333    HA   ALA  52           HA       ALA  52  -5.340 -11.205 -11.205
  334   1HB   ALA  52          3HB       ALA  52  -2.772 -11.127 -11.127
  335   2HB   ALA  52          1HB       ALA  52  -2.993  -9.577  -9.577
  336   3HB   ALA  52          2HB       ALA  52  -3.687 -11.068 -11.068
  337    H    GLU  53           H        GLU  53  -5.309  -8.007  -8.007
  338    HA   GLU  53           HA       GLU  53  -6.067  -6.087  -6.087
  339   1HB   GLU  53          1HB       GLU  53  -8.078  -7.897  -7.897
  340   2HB   GLU  53          2HB       GLU  53  -8.531  -7.368  -7.368
  341   1HG   GLU  53          1HG       GLU  53  -7.861  -5.431  -5.431
  342   2HG   GLU  53          2HG       GLU  53  -9.491  -5.980  -5.980
  343    H    ALA  54           H        ALA  54  -4.275  -6.988  -6.988
  344    HA   ALA  54           HA       ALA  54  -5.538  -7.096  -7.096
  345   1HB   ALA  54          2HB       ALA  54  -3.036  -7.789  -7.789
  346   2HB   ALA  54          3HB       ALA  54  -2.701  -6.555  -6.555
  347   3HB   ALA  54          1HB       ALA  54  -3.571  -8.044  -8.044
  348    H    ILE  55           H        ILE  55  -4.613  -4.646  -4.646
  349    HA   ILE  55           HA       ILE  55  -4.170  -2.663  -2.663
  350    HB   ILE  55           HB       ILE  55  -3.967  -1.173  -1.173
  351   1HG1  ILE  55          1HG1      ILE  55  -3.588  -3.788  -3.788
  352   2HG1  ILE  55          2HG1      ILE  55  -5.139  -2.919  -2.919
  353   1HG2  ILE  55          2HG2      ILE  55  -2.138  -3.187  -3.187
  354   2HG2  ILE  55          3HG2      ILE  55  -1.694  -2.608  -2.608
  355   3HG2  ILE  55          1HG2      ILE  55  -1.903  -1.447  -1.447
  356   1HD1  ILE  55          2HD1      ILE  55  -3.183  -0.963  -0.963
  357   2HD1  ILE  55          3HD1      ILE  55  -2.667  -2.398  -2.398
  358   3HD1  ILE  55          1HD1      ILE  55  -4.292  -1.719  -1.719
  359    H    VAL  56           H        VAL  56  -5.834  -1.654  -1.654
  360    HA   VAL  56           HA       VAL  56  -8.332  -1.456  -1.456
  361    HB   VAL  56           HB       VAL  56  -9.307  -1.212  -1.212
  362   1HG1  VAL  56          1HG1      VAL  56  -8.547  -3.569  -3.569
  363   2HG1  VAL  56          2HG1      VAL  56  -8.766  -3.929  -3.929
  364   3HG1  VAL  56          3HG1      VAL  56 -10.085  -3.174  -3.174
  365   1HG2  VAL  56          3HG2      VAL  56  -7.111  -0.926  -0.926
  366   2HG2  VAL  56          1HG2      VAL  56  -8.072  -2.266  -2.266
  367   3HG2  VAL  56          2HG2      VAL  56  -6.706  -2.609  -2.609
  368    H    ARG  57           H        ARG  57  -9.669   0.523   0.523
  369    HA   ARG  57           HA       ARG  57  -7.821   2.743   2.743
  370   1HB   ARG  57          1HB       ARG  57 -10.660   2.691   2.691
  371   2HB   ARG  57          2HB       ARG  57  -9.602   4.087   4.087
  372   1HG   ARG  57          1HG       ARG  57  -7.903   2.590   2.590
  373   2HG   ARG  57          2HG       ARG  57  -9.242   1.487   1.487
  374   1HD   ARG  57          1HD       ARG  57  -9.190   4.427   4.427
  375   2HD   ARG  57          2HD       ARG  57  -9.000   3.058   3.058
  376    HE   ARG  57           HE       ARG  57 -11.442   2.769   2.769
  377   1HH1  ARG  57          2HH2      ARG  57 -10.054   4.645   4.645
  378   2HH1  ARG  57          1HH2      ARG  57 -11.583   4.935   4.935
  379   1HH2  ARG  57          2HH1      ARG  57 -13.423   3.153   3.153
  380   2HH2  ARG  57          1HH1      ARG  57 -13.574   4.047   4.047
  381    H    SER  58           H        SER  58  -8.617   1.376   1.376
  382    HA   SER  58           HA       SER  58 -10.831   2.018   2.018
  383   1HB   SER  58          1HB       SER  58  -8.812   0.786   0.786
  384   2HB   SER  58          2HB       SER  58  -8.063   2.336   2.336
  385    HG   SER  58           HG       SER  58  -9.234   2.524   2.524

  Start of MODEL   15
    1    HA   PRO   1           HA       PRO   1  -7.040   7.142   7.142
    2   1HB   PRO   1          1HB       PRO   1  -4.349   6.775   6.775
    3   2HB   PRO   1          2HB       PRO   1  -5.064   8.318   8.318
    4   1HG   PRO   1          1HG       PRO   1  -3.603   6.418   6.418
    5   2HG   PRO   1          2HG       PRO   1  -3.946   8.114   8.114
    6   1HD   PRO   1          1HD       PRO   1  -5.276   5.874   5.874
    7   2HD   PRO   1          2HD       PRO   1  -5.694   7.566   7.566
    8    H    ILE   2           H        ILE   2  -5.175   5.808   5.808
    9    HA   ILE   2           HA       ILE   2  -6.612   3.559   3.559
   10    HB   ILE   2           HB       ILE   2  -4.774   2.940   2.940
   11   1HG1  ILE   2          1HG1      ILE   2  -3.047   3.366   3.366
   12   2HG1  ILE   2          2HG1      ILE   2  -2.570   3.674   3.674
   13   1HG2  ILE   2          2HG2      ILE   2  -5.507   5.830   5.830
   14   2HG2  ILE   2          3HG2      ILE   2  -4.237   5.353   5.353
   15   3HG2  ILE   2          1HG2      ILE   2  -5.866   4.647   4.647
   16   1HD1  ILE   2          2HD1      ILE   2  -3.628   6.109   6.109
   17   2HD1  ILE   2          3HD1      ILE   2  -2.904   5.527   5.527
   18   3HD1  ILE   2          1HD1      ILE   2  -1.898   5.692   5.692
   19    H    GLU   3           H        GLU   3  -5.286   1.255   1.255
   20    HA   GLU   3           HA       GLU   3  -4.052   0.757   0.757
   21   1HB   GLU   3          1HB       GLU   3  -6.720   0.566   0.566
   22   2HB   GLU   3          2HB       GLU   3  -6.423  -1.000  -1.000
   23   1HG   GLU   3          1HG       GLU   3  -6.342  -1.485  -1.485
   24   2HG   GLU   3          2HG       GLU   3  -4.647  -1.332  -1.332
   25    H    VAL   4           H        VAL   4  -3.123  -1.484  -1.484
   26    HA   VAL   4           HA       VAL   4  -3.024  -2.787  -2.787
   27    HB   VAL   4           HB       VAL   4  -1.111  -1.380  -1.380
   28   1HG1  VAL   4          3HG1      VAL   4  -1.214  -1.245  -1.245
   29   2HG1  VAL   4          1HG1      VAL   4   0.061  -2.479  -2.479
   30   3HG1  VAL   4          2HG1      VAL   4   0.276  -0.887  -0.887
   31   1HG2  VAL   4          2HG2      VAL   4  -0.875  -3.844  -3.844
   32   2HG2  VAL   4          3HG2      VAL   4   0.630  -2.952  -2.952
   33   3HG2  VAL   4          1HG2      VAL   4  -0.035  -4.054  -4.054
   34    H    ASN   5           H        ASN   5  -2.265  -2.845  -2.845
   35    HA   ASN   5           HA       ASN   5  -2.781  -4.417  -4.417
   36   1HB   ASN   5          1HB       ASN   5  -3.248  -6.459  -6.459
   37   2HB   ASN   5          2HB       ASN   5  -3.852  -6.518  -6.518
   38   1HD2  ASN   5          1HD2      ASN   5  -5.814  -6.909  -6.909
   39   2HD2  ASN   5          2HD2      ASN   5  -6.793  -5.536  -5.536
   40    H    ASP   6           H        ASP   6  -1.988  -7.113  -7.113
   41    HA   ASP   6           HA       ASP   6   0.808  -6.915  -6.915
   42   1HB   ASP   6          1HB       ASP   6   0.605  -8.969  -8.969
   43   2HB   ASP   6          2HB       ASP   6   1.181  -7.341  -7.341
   44    H    ASP   7           H        ASP   7  -2.204  -8.487  -8.487
   45    HA   ASP   7           HA       ASP   7  -1.355 -11.105 -11.105
   46   1HB   ASP   7          1HB       ASP   7  -3.721  -9.426  -9.426
   47   2HB   ASP   7          2HB       ASP   7  -3.484 -10.910 -10.910
   48    H    CYS   8           H        CYS   8  -0.989  -8.129  -8.129
   49    HA   CYS   8           HA       CYS   8  -0.986  -9.011  -9.011
   50   1HB   CYS   8          1HB       CYS   8  -0.808  -6.761  -6.761
   51   2HB   CYS   8          2HB       CYS   8   0.089  -6.696  -6.696
   52    H    MET   9           H        MET   9   1.032  -9.326  -9.326
   53    HA   MET   9           HA       MET   9   2.820 -11.102 -11.102
   54   1HB   MET   9          1HB       MET   9   1.759 -10.842 -10.842
   55   2HB   MET   9          2HB       MET   9   3.416 -11.403 -11.403
   56   1HG   MET   9          1HG       MET   9   2.810 -13.346 -13.346
   57   2HG   MET   9          2HG       MET   9   1.269 -12.670 -12.670
   58   1HE   MET   9          1HE       MET   9  -0.269 -11.702 -11.702
   59   2HE   MET   9          2HE       MET   9   0.154 -11.658 -11.658
   60   3HE   MET   9          3HE       MET   9  -1.037 -12.839 -12.839
   61    H    ALA  10           H        ALA  10   3.550  -9.466  -9.466
   62    HA   ALA  10           HA       ALA  10   4.936  -7.295  -7.295
   63   1HB   ALA  10          1HB       ALA  10   6.370  -9.749  -9.749
   64   2HB   ALA  10          2HB       ALA  10   7.353  -8.542  -8.542
   65   3HB   ALA  10          3HB       ALA  10   6.470  -8.079  -8.079
   66    H    CYS  11           H        CYS  11   3.528  -8.079  -8.079
   67    HA   CYS  11           HA       CYS  11   5.177  -9.185  -9.185
   68   1HB   CYS  11          1HB       CYS  11   3.325  -8.318  -8.318
   69   2HB   CYS  11          2HB       CYS  11   2.910  -9.538  -9.538
   70    H    GLU  12           H        GLU  12   4.194  -5.889  -5.889
   71    HA   GLU  12           HA       GLU  12   5.236  -3.975  -3.975
   72   1HB   GLU  12          1HB       GLU  12   7.385  -5.405  -5.405
   73   2HB   GLU  12          2HB       GLU  12   7.223  -5.180  -5.180
   74   1HG   GLU  12          1HG       GLU  12   7.173  -2.670  -2.670
   75   2HG   GLU  12          2HG       GLU  12   7.484  -2.964  -2.964
   76    H    ALA  13           H        ALA  13   3.254  -5.418  -5.418
   77    HA   ALA  13           HA       ALA  13   3.669  -4.233  -4.233
   78   1HB   ALA  13          2HB       ALA  13   2.317  -6.294  -6.294
   79   2HB   ALA  13          3HB       ALA  13   1.096  -5.258  -5.258
   80   3HB   ALA  13          1HB       ALA  13   1.441  -5.077  -5.077
   81    H    CYS  14           H        CYS  14   1.557  -3.434  -3.434
   82    HA   CYS  14           HA       CYS  14   0.436  -1.168  -1.168
   83   1HB   CYS  14          1HB       CYS  14  -0.339  -0.609  -0.609
   84   2HB   CYS  14          2HB       CYS  14  -0.494  -2.337  -2.337
   85    H    VAL  15           H        VAL  15   3.521  -1.845  -1.845
   86    HA   VAL  15           HA       VAL  15   4.165   0.889   0.889
   87    HB   VAL  15           HB       VAL  15   5.693  -1.709  -1.709
   88   1HG1  VAL  15          1HG1      VAL  15   6.750   1.010   1.010
   89   2HG1  VAL  15          2HG1      VAL  15   7.249   0.168   0.168
   90   3HG1  VAL  15          3HG1      VAL  15   7.596  -0.553  -0.553
   91   1HG2  VAL  15          3HG2      VAL  15   3.922  -0.670  -0.670
   92   2HG2  VAL  15          1HG2      VAL  15   5.258  -1.771  -1.771
   93   3HG2  VAL  15          2HG2      VAL  15   5.459  -0.013  -0.013
   94    H    GLU  16           H        GLU  16   4.612  -1.476  -1.476
   95    HA   GLU  16           HA       GLU  16   6.463   0.196   0.196
   96   1HB   GLU  16          1HB       GLU  16   5.772  -2.493  -2.493
   97   2HB   GLU  16          2HB       GLU  16   5.054  -1.868  -1.868
   98   1HG   GLU  16          1HG       GLU  16   7.089  -1.463  -1.463
   99   2HG   GLU  16          2HG       GLU  16   7.791  -0.837  -0.837
  100    H    ILE  17           H        ILE  17   3.012   0.034   0.034
  101    HA   ILE  17           HA       ILE  17   2.544   1.367   1.367
  102    HB   ILE  17           HB       ILE  17   1.137  -0.507  -0.507
  103   1HG1  ILE  17          1HG1      ILE  17   0.868   0.178   0.178
  104   2HG1  ILE  17          2HG1      ILE  17  -0.700  -0.001  -0.001
  105   1HG2  ILE  17          2HG2      ILE  17   0.670   1.255   1.255
  106   2HG2  ILE  17          3HG2      ILE  17  -0.412   2.010   2.010
  107   3HG2  ILE  17          1HG2      ILE  17  -0.718   0.346   0.346
  108   1HD1  ILE  17          1HD1      ILE  17   0.192   2.704   2.704
  109   2HD1  ILE  17          2HD1      ILE  17   0.409   2.286   2.286
  110   3HD1  ILE  17          3HD1      ILE  17  -1.192   2.123   2.123
  111    H    CYS  18           H        CYS  18   2.556   1.956   1.956
  112    HA   CYS  18           HA       CYS  18   2.700   4.782   4.782
  113   1HB   CYS  18          1HB       CYS  18   0.239   3.945   3.945
  114   2HB   CYS  18          2HB       CYS  18   0.762   3.974   3.974
  115    HA   PRO  19           HA       PRO  19   5.466   3.286   3.286
  116   1HB   PRO  19          1HB       PRO  19   7.775   4.381   4.381
  117   2HB   PRO  19          2HB       PRO  19   7.268   2.742   2.742
  118   1HG   PRO  19          1HG       PRO  19   7.186   5.129   5.129
  119   2HG   PRO  19          2HG       PRO  19   7.094   3.438   3.438
  120   1HD   PRO  19          1HD       PRO  19   4.915   5.299   5.299
  121   2HD   PRO  19          2HD       PRO  19   4.808   3.583   3.583
  122    H    ASP  20           H        ASP  20   4.046   6.042   6.042
  123    HA   ASP  20           HA       ASP  20   5.622   7.633   7.633
  124   1HB   ASP  20          1HB       ASP  20   4.517   8.315   8.315
  125   2HB   ASP  20          2HB       ASP  20   3.123   8.645   8.645
  126    H    VAL  21           H        VAL  21   2.824   5.603   5.603
  127    HA   VAL  21           HA       VAL  21   1.694   6.880   6.880
  128    HB   VAL  21           HB       VAL  21   0.430   5.315   5.315
  129   1HG1  VAL  21          1HG1      VAL  21  -0.417   4.519   4.519
  130   2HG1  VAL  21          2HG1      VAL  21  -0.928   6.185   6.185
  131   3HG1  VAL  21          3HG1      VAL  21  -1.661   5.304   5.304
  132   1HG2  VAL  21          2HG2      VAL  21   0.588   8.138   8.138
  133   2HG2  VAL  21          3HG2      VAL  21   0.138   7.398   7.398
  134   3HG2  VAL  21          1HG2      VAL  21  -1.080   7.577   7.577
  135    H    PHE  22           H        PHE  22   3.139   4.030   4.030
  136    HA   PHE  22           HA       PHE  22   3.015   2.741   2.741
  137   1HB   PHE  22          1HB       PHE  22   2.591   1.332   1.332
  138   2HB   PHE  22          2HB       PHE  22   2.362   0.628   0.628
  139    HD1  PHE  22          2HD       PHE  22   0.526   1.779   1.779
  140    HD2  PHE  22          1HD       PHE  22   0.749   2.138   2.138
  141    HE1  PHE  22          2HE       PHE  22  -1.905   2.399   2.399
  142    HE2  PHE  22          1HE       PHE  22  -1.682   2.758   2.758
  143    HZ   PHE  22           HZ       PHE  22  -2.980   2.881   2.881
  144    H    GLU  23           H        GLU  23   5.044   2.198   2.198
  145    HA   GLU  23           HA       GLU  23   6.895   1.389   1.389
  146   1HB   GLU  23          1HB       GLU  23   7.731   3.544   3.544
  147   2HB   GLU  23          2HB       GLU  23   7.185   3.722   3.722
  148   1HG   GLU  23          1HG       GLU  23   8.995   2.323   2.323
  149   2HG   GLU  23          2HG       GLU  23   9.446   1.830   1.830
  150    H    MET  24           H        MET  24   8.497  -0.136  -0.136
  151    HA   MET  24           HA       MET  24   7.673  -1.857  -1.857
  152   1HB   MET  24          1HB       MET  24  10.625  -1.583  -1.583
  153   2HB   MET  24          2HB       MET  24   9.659  -3.043  -3.043
  154   1HG   MET  24          1HG       MET  24   8.396  -1.942  -1.942
  155   2HG   MET  24          2HG       MET  24   9.917  -1.092  -1.092
  156   1HE   MET  24          3HE       MET  24   8.171  -4.185  -4.185
  157   2HE   MET  24          1HE       MET  24   8.540  -5.107  -5.107
  158   3HE   MET  24          2HE       MET  24   9.432  -5.440  -5.440
  159    H    ASN  25           H        ASN  25   8.541  -2.402  -2.402
  160    HA   ASN  25           HA       ASN  25   8.931  -0.138  -0.138
  161   1HB   ASN  25          1HB       ASN  25   9.116  -1.699  -1.699
  162   2HB   ASN  25          2HB       ASN  25   7.959  -2.390  -2.390
  163   1HD2  ASN  25          1HD2      ASN  25  10.075  -3.371  -3.371
  164   2HD2  ASN  25          2HD2      ASN  25  10.885  -4.667  -4.667
  165    H    GLU  26           H        GLU  26  11.012  -1.302  -1.302
  166    HA   GLU  26           HA       GLU  26  13.257  -0.165  -0.165
  167   1HB   GLU  26          1HB       GLU  26  12.486  -0.654  -0.654
  168   2HB   GLU  26          2HB       GLU  26  13.697  -1.901  -1.901
  169   1HG   GLU  26          1HG       GLU  26  14.820   0.431   0.431
  170   2HG   GLU  26          2HG       GLU  26  14.059   0.986   0.986
  171    H    GLU  27           H        GLU  27  12.420  -3.562  -3.562
  172    HA   GLU  27           HA       GLU  27  14.763  -4.583  -4.583
  173   1HB   GLU  27          1HB       GLU  27  12.229  -6.019  -6.019
  174   2HB   GLU  27          2HB       GLU  27  13.746  -6.802  -6.802
  175   1HG   GLU  27          1HG       GLU  27  14.130  -4.615  -4.615
  176   2HG   GLU  27          2HG       GLU  27  12.987  -5.805  -5.805
  177    H    GLY  28           H        GLY  28  11.975  -3.277  -3.277
  178   1HA   GLY  28          1HA       GLY  28  11.082  -3.303  -3.303
  179   2HA   GLY  28          2HA       GLY  28  12.550  -4.085  -4.085
  180    H    ASP  29           H        ASP  29  10.366  -5.423  -5.423
  181    HA   ASP  29           HA       ASP  29   9.659  -7.488  -7.488
  182   1HB   ASP  29          1HB       ASP  29  11.067  -7.744  -7.744
  183   2HB   ASP  29          2HB       ASP  29   9.447  -8.306  -8.306
  184    H    LYS  30           H        LYS  30   8.598  -4.856  -4.856
  185    HA   LYS  30           HA       LYS  30   5.880  -5.936  -5.936
  186   1HB   LYS  30          1HB       LYS  30   6.639  -6.025  -6.025
  187   2HB   LYS  30          2HB       LYS  30   7.329  -4.418  -4.418
  188   1HG   LYS  30          1HG       LYS  30   5.350  -3.663  -3.663
  189   2HG   LYS  30          2HG       LYS  30   4.684  -3.966  -3.966
  190   1HD   LYS  30          1HD       LYS  30   4.362  -6.439  -6.439
  191   2HD   LYS  30          2HD       LYS  30   4.563  -5.740  -5.740
  192   1HE   LYS  30          1HE       LYS  30   2.709  -4.134  -4.134
  193   2HE   LYS  30          2HE       LYS  30   2.177  -5.828  -5.828
  194   1HZ   LYS  30          1HZ       LYS  30   1.520  -4.178  -4.178
  195   2HZ   LYS  30          2HZ       LYS  30   2.047  -5.647  -5.647
  196    H    ALA  31           H        ALA  31   4.534  -4.753  -4.753
  197    HA   ALA  31           HA       ALA  31   5.483  -2.335  -2.335
  198   1HB   ALA  31          2HB       ALA  31   3.931  -4.205  -4.205
  199   2HB   ALA  31          3HB       ALA  31   2.633  -3.338  -3.338
  200   3HB   ALA  31          1HB       ALA  31   3.579  -2.508  -2.508
  201    H    VAL  32           H        VAL  32   5.735  -0.618  -0.618
  202    HA   VAL  32           HA       VAL  32   3.627  -0.123  -0.123
  203    HB   VAL  32           HB       VAL  32   6.357   1.081   1.081
  204   1HG1  VAL  32          1HG1      VAL  32   4.261   1.788   1.788
  205   2HG1  VAL  32          2HG1      VAL  32   5.974   2.259   2.259
  206   3HG1  VAL  32          3HG1      VAL  32   4.971   2.855   2.855
  207   1HG2  VAL  32          2HG2      VAL  32   5.472  -1.238  -1.238
  208   2HG2  VAL  32          3HG2      VAL  32   7.112  -0.549  -0.549
  209   3HG2  VAL  32          1HG2      VAL  32   5.999  -0.040  -0.040
  210    H    VAL  33           H        VAL  33   2.922   2.256   2.256
  211    HA   VAL  33           HA       VAL  33   2.234   3.187   3.187
  212    HB   VAL  33           HB       VAL  33   1.099   3.880   3.880
  213   1HG1  VAL  33          2HG1      VAL  33   0.947   5.494   5.494
  214   2HG1  VAL  33          3HG1      VAL  33  -0.375   4.384   4.384
  215   3HG1  VAL  33          1HG1      VAL  33  -0.422   5.266   5.266
  216   1HG2  VAL  33          1HG2      VAL  33   0.793   1.485   1.485
  217   2HG2  VAL  33          2HG2      VAL  33  -0.682   2.388   2.388
  218   3HG2  VAL  33          3HG2      VAL  33  -0.217   2.189   2.189
  219    H    ILE  34           H        ILE  34   2.637   5.331   5.331
  220    HA   ILE  34           HA       ILE  34   4.555   6.755   6.755
  221    HB   ILE  34           HB       ILE  34   4.687   7.433   7.433
  222   1HG1  ILE  34          1HG1      ILE  34   5.356   4.559   4.559
  223   2HG1  ILE  34          2HG1      ILE  34   3.934   5.072   5.072
  224   1HG2  ILE  34          3HG2      ILE  34   6.369   8.044   8.044
  225   2HG2  ILE  34          1HG2      ILE  34   6.720   6.324   6.324
  226   3HG2  ILE  34          2HG2      ILE  34   7.075   7.047   7.047
  227   1HD1  ILE  34          1HD1      ILE  34   5.472   6.117   6.117
  228   2HD1  ILE  34          2HD1      ILE  34   6.864   5.563   5.563
  229   3HD1  ILE  34          3HD1      ILE  34   5.786   4.375   4.375
  230    H    ASN  35           H        ASN  35   1.633   6.846   6.846
  231    HA   ASN  35           HA       ASN  35   1.359   9.646   9.646
  232   1HB   ASN  35          1HB       ASN  35   1.404   8.794   8.794
  233   2HB   ASN  35          2HB       ASN  35  -0.273   8.404   8.404
  234   1HD2  ASN  35          1HD2      ASN  35   1.688  10.668  10.668
  235   2HD2  ASN  35          2HD2      ASN  35   0.770  12.116  12.116
  236    HA   PRO  36           HA       PRO  36  -1.900   7.243   7.243
  237   1HB   PRO  36          1HB       PRO  36  -1.652   8.381   8.381
  238   2HB   PRO  36          2HB       PRO  36  -0.820   6.911   6.911
  239   1HG   PRO  36          1HG       PRO  36   0.271   9.642   9.642
  240   2HG   PRO  36          2HG       PRO  36   1.130   8.116   8.116
  241   1HD   PRO  36          1HD       PRO  36   0.931  10.032  10.032
  242   2HD   PRO  36          2HD       PRO  36   1.690   8.455   8.455
  243    H    ASP  37           H        ASP  37  -2.228   9.406   9.406
  244    HA   ASP  37           HA       ASP  37  -4.745  10.155  10.155
  245   1HB   ASP  37          1HB       ASP  37  -3.772  11.465  11.465
  246   2HB   ASP  37          2HB       ASP  37  -2.657  12.252  12.252
  247    H    SER  38           H        SER  38  -3.322   9.313   9.313
  248    HA   SER  38           HA       SER  38  -2.430  11.424  11.424
  249   1HB   SER  38          1HB       SER  38  -2.480   8.643   8.643
  250   2HB   SER  38          2HB       SER  38  -3.574   9.115   9.115
  251    HG   SER  38           HG       SER  38  -1.761   9.391   9.391
  252    H    ASP  39           H        ASP  39  -3.832  11.004  11.004
  253    HA   ASP  39           HA       ASP  39  -6.590  11.277  11.277
  254   1HB   ASP  39          1HB       ASP  39  -5.784  13.525  13.525
  255   2HB   ASP  39          2HB       ASP  39  -5.080  13.833  13.833
  256    H    LEU  40           H        LEU  40  -4.601   9.817   9.817
  257    HA   LEU  40           HA       LEU  40  -5.166  10.931  10.931
  258   1HB   LEU  40          1HB       LEU  40  -3.163   9.216   9.216
  259   2HB   LEU  40          2HB       LEU  40  -2.944  10.922  10.922
  260    HG   LEU  40           HG       LEU  40  -2.604  10.317  10.317
  261   1HD1  LEU  40          1HD1      LEU  40  -2.960   7.578   7.578
  262   2HD1  LEU  40          2HD1      LEU  40  -1.780   7.811   7.811
  263   3HD1  LEU  40          3HD1      LEU  40  -3.486   8.250   8.250
  264   1HD2  LEU  40          2HD2      LEU  40  -0.687   9.264   9.264
  265   2HD2  LEU  40          3HD2      LEU  40  -0.705  10.874  10.874
  266   3HD2  LEU  40          1HD2      LEU  40  -0.284   9.441   9.441
  267    H    ASP  41           H        ASP  41  -4.813   8.784   8.784
  268    HA   ASP  41           HA       ASP  41  -6.991   7.103   7.103
  269   1HB   ASP  41          1HB       ASP  41  -6.938   8.312   8.312
  270   2HB   ASP  41          2HB       ASP  41  -5.670   7.198   7.198
  271    H    CYS  42           H        CYS  42  -3.538   7.195   7.195
  272    HA   CYS  42           HA       CYS  42  -2.782   4.786   4.786
  273   1HB   CYS  42          1HB       CYS  42  -0.762   5.223   5.223
  274   2HB   CYS  42          2HB       CYS  42  -1.477   6.811   6.811
  275    H    VAL  43           H        VAL  43  -4.471   5.595   5.595
  276    HA   VAL  43           HA       VAL  43  -3.958   3.223   3.223
  277    HB   VAL  43           HB       VAL  43  -6.410   4.986   4.986
  278   1HG1  VAL  43          3HG1      VAL  43  -5.067   3.184   3.184
  279   2HG1  VAL  43          1HG1      VAL  43  -6.411   4.297   4.297
  280   3HG1  VAL  43          2HG1      VAL  43  -6.651   2.934   2.934
  281   1HG2  VAL  43          2HG2      VAL  43  -3.591   5.444   5.444
  282   2HG2  VAL  43          3HG2      VAL  43  -4.809   6.599   6.599
  283   3HG2  VAL  43          1HG2      VAL  43  -4.908   5.981   5.981
  284    H    GLU  44           H        GLU  44  -6.711   4.213   4.213
  285    HA   GLU  44           HA       GLU  44  -8.119   1.879   1.879
  286   1HB   GLU  44          1HB       GLU  44  -7.996   4.160   4.160
  287   2HB   GLU  44          2HB       GLU  44  -8.612   2.686   2.686
  288   1HG   GLU  44          1HG       GLU  44 -10.171   2.495   2.495
  289   2HG   GLU  44          2HG       GLU  44  -9.689   4.132   4.132
  290    H    GLU  45           H        GLU  45  -5.415   2.756   2.756
  291    HA   GLU  45           HA       GLU  45  -5.584   0.212   0.212
  292   1HB   GLU  45          1HB       GLU  45  -3.595   1.033   1.033
  293   2HB   GLU  45          2HB       GLU  45  -4.945   2.150   2.150
  294   1HG   GLU  45          1HG       GLU  45  -3.851   3.358   3.358
  295   2HG   GLU  45          2HG       GLU  45  -2.435   2.367   2.367
  296    H    ALA  46           H        ALA  46  -4.577   1.115   1.115
  297    HA   ALA  46           HA       ALA  46  -2.206  -0.608  -0.608
  298   1HB   ALA  46          1HB       ALA  46  -3.238   1.494   1.494
  299   2HB   ALA  46          2HB       ALA  46  -1.860   0.425   0.425
  300   3HB   ALA  46          3HB       ALA  46  -1.774   1.567   1.567
  301    H    ILE  47           H        ILE  47  -5.579  -0.417  -0.417
  302    HA   ILE  47           HA       ILE  47  -5.292  -2.617  -2.617
  303    HB   ILE  47           HB       ILE  47  -7.318  -0.517  -0.517
  304   1HG1  ILE  47          1HG1      ILE  47  -7.221  -1.426  -1.426
  305   2HG1  ILE  47          2HG1      ILE  47  -5.553  -1.281  -1.281
  306   1HG2  ILE  47          3HG2      ILE  47  -8.008  -3.309  -3.309
  307   2HG2  ILE  47          1HG2      ILE  47  -8.992  -1.889  -1.889
  308   3HG2  ILE  47          2HG2      ILE  47  -8.766  -2.333  -2.333
  309   1HD1  ILE  47          1HD1      ILE  47  -6.691   1.014   1.014
  310   2HD1  ILE  47          2HD1      ILE  47  -7.630   0.791   0.791
  311   3HD1  ILE  47          3HD1      ILE  47  -5.856   0.917   0.917
  312    H    ASP  48           H        ASP  48  -6.702  -1.719  -1.719
  313    HA   ASP  48           HA       ASP  48  -8.072  -4.100  -4.100
  314   1HB   ASP  48          1HB       ASP  48  -7.617  -1.706  -1.706
  315   2HB   ASP  48          2HB       ASP  48  -6.955  -2.948  -2.948
  316    H    SER  49           H        SER  49  -4.684  -3.072  -3.072
  317    HA   SER  49           HA       SER  49  -4.024  -5.373  -5.373
  318   1HB   SER  49          1HB       SER  49  -2.401  -3.110  -3.110
  319   2HB   SER  49          2HB       SER  49  -1.631  -4.459  -4.459
  320    HG   SER  49           HG       SER  49  -2.251  -2.393  -2.393
  321    H    CYS  50           H        CYS  50  -4.663  -4.788  -4.788
  322    HA   CYS  50           HA       CYS  50  -2.608  -6.538  -6.538
  323   1HB   CYS  50          1HB       CYS  50  -3.207  -4.590  -4.590
  324   2HB   CYS  50          2HB       CYS  50  -4.887  -5.085  -5.085
  325    HA   PRO  51           HA       PRO  51  -5.415  -9.871  -9.871
  326   1HB   PRO  51          1HB       PRO  51  -3.640 -11.903 -11.903
  327   2HB   PRO  51          2HB       PRO  51  -3.834 -11.116 -11.116
  328   1HG   PRO  51          1HG       PRO  51  -1.651 -10.814 -10.814
  329   2HG   PRO  51          2HG       PRO  51  -1.663 -10.385 -10.385
  330   1HD   PRO  51          1HD       PRO  51  -1.910  -8.592  -8.592
  331   2HD   PRO  51          2HD       PRO  51  -2.039  -8.179  -8.179
  332    H    ALA  52           H        ALA  52  -3.399  -9.496  -9.496
  333    HA   ALA  52           HA       ALA  52  -5.067 -11.309 -11.309
  334   1HB   ALA  52          3HB       ALA  52  -2.477  -9.899  -9.899
  335   2HB   ALA  52          1HB       ALA  52  -3.423 -10.066 -10.066
  336   3HB   ALA  52          2HB       ALA  52  -2.976 -11.512 -11.512
  337    H    GLU  53           H        GLU  53  -5.303  -8.126  -8.126
  338    HA   GLU  53           HA       GLU  53  -6.232  -6.273  -6.273
  339   1HB   GLU  53          1HB       GLU  53  -8.236  -8.502  -8.502
  340   2HB   GLU  53          2HB       GLU  53  -8.721  -6.955  -6.955
  341   1HG   GLU  53          1HG       GLU  53  -7.388  -6.542  -6.542
  342   2HG   GLU  53          2HG       GLU  53  -8.665  -7.726  -7.726
  343    H    ALA  54           H        ALA  54  -4.434  -7.025  -7.025
  344    HA   ALA  54           HA       ALA  54  -5.778  -7.242  -7.242
  345   1HB   ALA  54          3HB       ALA  54  -3.204  -7.782  -7.782
  346   2HB   ALA  54          1HB       ALA  54  -2.981  -6.514  -6.514
  347   3HB   ALA  54          2HB       ALA  54  -3.770  -8.049  -8.049
  348    H    ILE  55           H        ILE  55  -4.735  -4.725  -4.725
  349    HA   ILE  55           HA       ILE  55  -4.657  -2.738  -2.738
  350    HB   ILE  55           HB       ILE  55  -3.892  -2.897  -2.897
  351   1HG1  ILE  55          1HG1      ILE  55  -2.620  -1.469  -1.469
  352   2HG1  ILE  55          2HG1      ILE  55  -2.299  -3.162  -3.162
  353   1HG2  ILE  55          2HG2      ILE  55  -5.509  -1.030  -1.030
  354   2HG2  ILE  55          3HG2      ILE  55  -4.559  -0.248  -0.248
  355   3HG2  ILE  55          1HG2      ILE  55  -3.841  -0.495  -0.495
  356   1HD1  ILE  55          3HD1      ILE  55  -1.656  -2.269  -2.269
  357   2HD1  ILE  55          1HD1      ILE  55  -1.745  -0.637  -0.637
  358   3HD1  ILE  55          2HD1      ILE  55  -0.564  -1.812  -1.812
  359    H    VAL  56           H        VAL  56  -6.220  -1.162  -1.162
  360    HA   VAL  56           HA       VAL  56  -8.539  -1.177  -1.177
  361    HB   VAL  56           HB       VAL  56  -9.979  -1.196  -1.196
  362   1HG1  VAL  56          1HG1      VAL  56  -9.931  -3.038  -3.038
  363   2HG1  VAL  56          2HG1      VAL  56  -8.518  -3.738  -3.738
  364   3HG1  VAL  56          3HG1      VAL  56 -10.086  -3.652  -3.652
  365   1HG2  VAL  56          3HG2      VAL  56  -7.409  -2.319  -2.319
  366   2HG2  VAL  56          1HG2      VAL  56  -8.309  -0.882  -0.882
  367   3HG2  VAL  56          2HG2      VAL  56  -9.012  -2.505  -2.505
  368    H    ARG  57           H        ARG  57 -10.155   0.629   0.629
  369    HA   ARG  57           HA       ARG  57  -8.360   2.864   2.864
  370   1HB   ARG  57          1HB       ARG  57  -9.445   3.099   3.099
  371   2HB   ARG  57          2HB       ARG  57 -11.024   2.795   2.795
  372   1HG   ARG  57          1HG       ARG  57 -11.269   4.998   4.998
  373   2HG   ARG  57          2HG       ARG  57  -9.838   4.961   4.961
  374   1HD   ARG  57          1HD       ARG  57  -8.425   5.714   5.714
  375   2HD   ARG  57          2HD       ARG  57  -9.430   5.049   5.049
  376    HE   ARG  57           HE       ARG  57 -10.723   7.012   7.012
  377   1HH1  ARG  57          2HH2      ARG  57  -8.674   6.955   6.955
  378   2HH1  ARG  57          1HH2      ARG  57  -9.041   8.588   8.588
  379   1HH2  ARG  57          2HH1      ARG  57 -11.191   9.129   9.129
  380   2HH2  ARG  57          1HH1      ARG  57 -10.533   9.870   9.870
  381    H    SER  58           H        SER  58  -9.125   1.381   1.381
  382    HA   SER  58           HA       SER  58 -11.454   1.605   1.605
  383   1HB   SER  58          1HB       SER  58  -8.945   0.986   0.986
  384   2HB   SER  58          2HB       SER  58  -9.167   2.493   2.493
  385    HG   SER  58           HG       SER  58 -10.815   0.121   0.121