*HEADER    ELECTRON TRANSPORT                      28-FEB-01   1I5T              
*TITLE     SOLUTION STRUCTURE OF CYANOFERRICYTOCHROME C                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C;                                              
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS;                                 
*SOURCE   3 ORGANISM_COMMON: HORSE;                                              
*SOURCE   4 TISSUE: HEART                                                        
*KEYWDS    CYTOCHROME C, CYANIDE, NMR STRUCTURE, CONFORMATIONAL                  
*KEYWDS   2 TRANSITION                                                           
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    Y.YAO, C.QIAN, K.YE, J.WANG, W.TANG                                   
*REVDAT   2   31-JUL-02 1I5T    1       JRNL                                     
*REVDAT   1   21-MAR-01 1I5T    0                                                

DYANA FORMAT
Lower constrains:
 14 CYSS SG    135 HEMC CAB     1.80  5.00E+00                 
 17 CYSS SG    135 HEMC CAC     1.80  5.00E+00                 
 18 HIS  NE2   135 HEMC FE      1.90  5.00E+00                 
135 HEMC FE    135 HEMC CCN     1.90  5.00E+00                 

Upper constrains:
-30 LTNS PCN   135 HEMC FE      0.20  5.00E+00                 
  1 GLY  HN      1 GLY  HA1     3.39                
  1 GLY  HN      1 GLY  HA2     3.11                
  1 GLY  HN      2 ASP- HN      4.07                
  1 GLY  HN     96 ALA  QB      4.64                
  1 GLY  HA1     1 GLY  HA2     2.43                
  1 GLY  HA1     2 ASP- HN      3.64                
  1 GLY  HA1    93 ASP- HA      4.23                
  1 GLY  HA2     2 ASP- HN      3.61                
  1 GLY  HA2    92 GLU- HB2     4.45                
  1 GLY  HA2    93 ASP- HA      3.67                
  1 GLY  HA2    96 ALA  QB      3.43                
  2 ASP- HN      2 ASP- HA      3.42                
  2 ASP- HN      2 ASP- HB2     3.05                
  2 ASP- HN      2 ASP- HB3     3.24                
  2 ASP- HN      3 VAL  HN      5.34                
  2 ASP- HN      5 LYS+ HB2     4.17                
  2 ASP- HN      5 LYS+ HB3     5.50                
  2 ASP- HN      6 GLY  HN      5.50                
  2 ASP- HN     93 ASP- HN      5.50                
  2 ASP- HN     93 ASP- HA      2.86                
  2 ASP- HN     93 ASP- HB2     5.50                
  2 ASP- HN     93 ASP- HB3     5.19                
  2 ASP- HN     96 ALA  QB      5.01                
  2 ASP- HA      2 ASP- HB2     3.39                
  2 ASP- HA      2 ASP- HB3     2.99                
  2 ASP- HA      3 VAL  HN      2.68                
  2 ASP- HA     96 ALA  QB      4.79                
  2 ASP- HB2     2 ASP- HB3     2.40                
  2 ASP- HB2     3 VAL  HN      4.82                
  2 ASP- HB2     5 LYS+ HN      4.23                
  2 ASP- HB2     5 LYS+ HB2     2.80                
  2 ASP- HB2     5 LYS+ HB3     5.28                
  2 ASP- HB2     5 LYS+ HG3     4.07                
  2 ASP- HB2    93 ASP- HA      5.50                
  2 ASP- HB3     3 VAL  HN      4.32                
  2 ASP- HB3     5 LYS+ HN      4.32                
  2 ASP- HB3     5 LYS+ HB2     3.21                
  2 ASP- HB3     5 LYS+ HB3     5.22                
  2 ASP- HB3     5 LYS+ HG3     4.20                
  2 ASP- HB3    93 ASP- HA      5.50                
  3 VAL  HN      3 VAL  HA      3.36                
  3 VAL  HN      3 VAL  HB      2.90                
  3 VAL  HN      3 VAL  QG1     3.43                
  3 VAL  HN      3 VAL  QG2     4.51                
  3 VAL  HN      4 GLU- HN      3.24                
  3 VAL  HN      5 LYS+ HN      5.16                
  3 VAL  HN     96 ALA  QB      5.41                
  3 VAL  HN     97 TYR  HA      4.72                
  3 VAL  HA      3 VAL  HB      3.05                
  3 VAL  HA      3 VAL  QG1     3.89                
  3 VAL  HA      3 VAL  QG2     3.61                
  3 VAL  HA      4 GLU- HN      3.70                
  3 VAL  HA      5 LYS+ HN      5.50                
  3 VAL  HA      6 GLY  HN      3.67                
  3 VAL  HA      6 GLY  HA2     4.01                
  3 VAL  HA      7 LYS+ HN      4.17                
  3 VAL  HA     96 ALA  QB      4.23                
  3 VAL  HA     97 TYR  HN      3.55                
  3 VAL  HA     97 TYR  HA      3.11                
  3 VAL  HA     97 TYR  HB3     3.95                
  3 VAL  HA     97 TYR  HD1     5.38                
  3 VAL  HB      3 VAL  QG1     3.43                
  3 VAL  HB      3 VAL  QG2     3.43                
  3 VAL  HB      6 GLY  HN      5.31                
  3 VAL  HB     96 ALA  QB      4.23                
  3 VAL  HB     97 TYR  HA      5.50                
  3 VAL  QG1     4 GLU- HN      4.48                
  3 VAL  QG1    96 ALA  HA      6.53                
  3 VAL  QG1    96 ALA  QB      5.32                
  3 VAL  QG1    97 TYR  HN      6.53                
  3 VAL  QG1    97 TYR  HA      4.30                
  3 VAL  QG1    97 TYR  HB3     6.53                
  3 VAL  QG1   100 LYS+ HN      6.50                
  3 VAL  QG1   100 LYS+ QE      7.40                
  3 VAL  QG2     4 GLU- HN      4.48                
  3 VAL  QG2     4 GLU- HA      6.06                
  3 VAL  QG2     7 LYS+ HN      5.81                
  3 VAL  QG2     7 LYS+ HA      5.81                
  3 VAL  QG2    96 ALA  QB      7.56                
  3 VAL  QG2    97 TYR  HN      6.06                
  3 VAL  QG2    97 TYR  HA      3.46                
  3 VAL  QG2    97 TYR  HB3     5.75                
  3 VAL  QG2    97 TYR  HD1     4.30                
  3 VAL  QG2   100 LYS+ HN      6.28                
  3 VAL  QG2   100 LYS+ QE      7.40                
  4 GLU- HN      4 GLU- HA      3.33                
  4 GLU- HN      4 GLU- HB2     2.59                
  4 GLU- HN      4 GLU- HG2     4.29                
  4 GLU- HN      4 GLU- HG3     4.26                
  4 GLU- HN      6 GLY  HN      3.86                
  4 GLU- HA      4 GLU- HB2     2.90                
  4 GLU- HA      4 GLU- HG2     5.50                
  4 GLU- HA      4 GLU- HG3     4.23                
  4 GLU- HA      5 LYS+ HN      3.58                
  4 GLU- HA      6 GLY  HN      4.01                
  4 GLU- HA      7 LYS+ HN      3.45                
  4 GLU- HA      7 LYS+ QB      4.30                
  4 GLU- HA      7 LYS+ HD2     4.79                
  4 GLU- HA      8 LYS+ HN      4.88                
  4 GLU- HA     97 TYR  HB2     5.50                
  4 GLU- HB2     5 LYS+ HN      3.14                
  4 GLU- HB2     6 GLY  HN      5.34                
  4 GLU- HG2     5 LYS+ HN      5.50                
  4 GLU- HG3     5 LYS+ HN      5.50                
  5 LYS+ HN      5 LYS+ HA      3.42                
  5 LYS+ HN      5 LYS+ HB2     2.71                
  5 LYS+ HN      5 LYS+ HB3     3.64                
  5 LYS+ HN      5 LYS+ HG2     4.07                
  5 LYS+ HN      5 LYS+ HG3     3.67                
  5 LYS+ HN      6 GLY  HN      3.02                
  5 LYS+ HN      7 LYS+ HN      4.85                
  5 LYS+ HA      5 LYS+ HB2     3.05                
  5 LYS+ HA      5 LYS+ HB3     3.11                
  5 LYS+ HA      5 LYS+ HG2     3.17                
  5 LYS+ HA      5 LYS+ HG3     3.76                
  5 LYS+ HA      6 GLY  HN      3.48                
  5 LYS+ HA      7 LYS+ HN      4.42                
  5 LYS+ HA      8 LYS+ HN      3.67                
  5 LYS+ HA      8 LYS+ HB2     2.90                
  5 LYS+ HA      9 ILE  HN      4.66                
  5 LYS+ HB2     6 GLY  HN      3.52                
  5 LYS+ HB2    93 ASP- HB2     4.51                
  5 LYS+ HB2    93 ASP- HB3     3.30                
  5 LYS+ HB3     6 GLY  HN      4.23                
  5 LYS+ HB3     9 ILE  QD1     3.55                
  5 LYS+ HG3     6 GLY  HN      5.50                
  6 GLY  HN      6 GLY  HA1     3.11                
  6 GLY  HN      6 GLY  HA2     3.08                
  6 GLY  HN      7 LYS+ HN      3.30                
  6 GLY  HN      8 LYS+ HN      5.50                
  6 GLY  HN     93 ASP- HB2     5.47                
  6 GLY  HN     93 ASP- HB3     3.76                
  6 GLY  HN     94 LEU  HA      4.54                
  6 GLY  HN     97 TYR  HN      5.38                
  6 GLY  HN     97 TYR  HB3     5.04                
  6 GLY  HA1     6 GLY  HA2     2.43                
  6 GLY  HA1     7 LYS+ HN      3.61                
  6 GLY  HA1     9 ILE  HN      4.29                
  6 GLY  HA1     9 ILE  QG2     6.00                
  6 GLY  HA1     9 ILE  QD1     3.89                
  6 GLY  HA1    10 PHE  HN      5.50                
  6 GLY  HA1    93 ASP- HB2     4.97                
  6 GLY  HA1    93 ASP- HB3     4.79                
  6 GLY  HA1    94 LEU  HN      4.57                
  6 GLY  HA1    94 LEU  HA      3.36                
  6 GLY  HA1    94 LEU  HB3     4.97                
  6 GLY  HA1    94 LEU  QD1     6.25                
  6 GLY  HA1    97 TYR  HN      5.50                
  6 GLY  HA1    97 TYR  HB2     4.97                
  6 GLY  HA1    97 TYR  HB3     4.48                
  6 GLY  HA2     7 LYS+ HN      3.45                
  6 GLY  HA2     9 ILE  QD1     6.53                
  6 GLY  HA2    10 PHE  HN      5.50                
  6 GLY  HA2    93 ASP- HB2     5.28                
  6 GLY  HA2    93 ASP- HB3     4.63                
  6 GLY  HA2    94 LEU  HN      5.31                
  6 GLY  HA2    94 LEU  HB3     5.50                
  6 GLY  HA2    94 LEU  QD1     4.39                
  6 GLY  HA2    97 TYR  HN      4.17                
  6 GLY  HA2    97 TYR  HB2     3.79                
  6 GLY  HA2    97 TYR  HB3     4.42                
  7 LYS+ HN      7 LYS+ HA      3.30                
  7 LYS+ HN      7 LYS+ QB      4.24                
  7 LYS+ HN      7 LYS+ HG2     5.50                
  7 LYS+ HN      7 LYS+ HD2     3.45                
  7 LYS+ HN      8 LYS+ HN      3.14                
  7 LYS+ HN      9 ILE  HN      4.63                
  7 LYS+ HN     97 TYR  HB2     4.14                
  7 LYS+ HN     97 TYR  HB3     4.85                
  7 LYS+ HN     97 TYR  HD2     5.50                
  7 LYS+ HA      7 LYS+ QB      4.61                
  7 LYS+ HA      7 LYS+ HG2     3.45                
  7 LYS+ HA      7 LYS+ HG3     3.48                
  7 LYS+ HA      7 LYS+ HD2     3.42                
  7 LYS+ HA      8 LYS+ HN      4.17                
  7 LYS+ HA      9 ILE  HN      5.50                
  7 LYS+ HA     10 PHE  HN      4.01                
  7 LYS+ HA     10 PHE  HB2     3.89                
  7 LYS+ HA     10 PHE  HB3     3.45                
  7 LYS+ HA     11 VAL  HN      4.04                
  7 LYS+ HA     97 TYR  HD1     5.50                
  7 LYS+ HA     97 TYR  HD2     5.50                
  7 LYS+ HA     97 TYR  HE1     5.50                
  7 LYS+ QB      7 LYS+ HG2     4.76                
  7 LYS+ QB      7 LYS+ HG3     4.11                
  7 LYS+ QB      7 LYS+ HD2     3.37                
  7 LYS+ QB      8 LYS+ HN      4.45                
  7 LYS+ HG2     7 LYS+ HG3     2.40                
  7 LYS+ HG2     7 LYS+ HD2     2.86                
  7 LYS+ HG2     7 LYS+ QE      6.38                
  7 LYS+ HG2     8 LYS+ HN      5.50                
  7 LYS+ HG3     7 LYS+ QE      6.38                
  7 LYS+ HG3    97 TYR  HE1     5.50                
  7 LYS+ HD2     7 LYS+ QE      6.07                
  7 LYS+ HD2    97 TYR  HE1     5.50                
  8 LYS+ HN      8 LYS+ HA      3.17                
  8 LYS+ HN      8 LYS+ HB2     2.71                
  8 LYS+ HN      8 LYS+ HG2     4.32                
  8 LYS+ HN      9 ILE  HN      2.83                
  8 LYS+ HN     10 PHE  HN      4.07                
  8 LYS+ HA      8 LYS+ HB2     2.83                
  8 LYS+ HA      8 LYS+ HG2     3.45                
  8 LYS+ HA      8 LYS+ QE      6.38                
  8 LYS+ HA      9 ILE  HN      3.76                
  8 LYS+ HA     10 PHE  HN      4.97                
  8 LYS+ HA     11 VAL  HN      3.73                
  8 LYS+ HA     11 VAL  HB      2.71                
  8 LYS+ HA     11 VAL  QG1     5.41                
  8 LYS+ HA     12 GLN  HN      4.76                
  8 LYS+ HB2     8 LYS+ HG2     3.05                
  8 LYS+ HB2     8 LYS+ QE      5.76                
  8 LYS+ HB2     9 ILE  HN      3.17                
  8 LYS+ HB2     9 ILE  QD1     4.95                
  8 LYS+ HG2     8 LYS+ QE      6.38                
  9 ILE  HN      9 ILE  HA      3.36                
  9 ILE  HN      9 ILE  HB      2.90                
  9 ILE  HN      9 ILE  QG2     4.54                
  9 ILE  HN      9 ILE  HG12    3.92                
  9 ILE  HN      9 ILE  HG13    2.93                
  9 ILE  HN      9 ILE  QD1     4.73                
  9 ILE  HN     10 PHE  HN      3.08                
  9 ILE  HN     10 PHE  HB2     5.50                
  9 ILE  HN     10 PHE  HB3     5.10                
  9 ILE  HN     11 VAL  HN      5.50                
  9 ILE  HN     11 VAL  QG2     6.53                
  9 ILE  HN     12 GLN  HN      5.50                
  9 ILE  HN     94 LEU  QD1     5.47                
  9 ILE  HA      9 ILE  HB      2.99                
  9 ILE  HA      9 ILE  QG2     3.55                
  9 ILE  HA      9 ILE  HG12    3.42                
  9 ILE  HA      9 ILE  HG13    3.02                
  9 ILE  HA      9 ILE  QD1     4.73                
  9 ILE  HA     10 PHE  HN      3.79                
  9 ILE  HA     12 GLN  HN      3.61                
  9 ILE  HA     12 GLN  HB2     3.05                
  9 ILE  HA     12 GLN  HB3     4.48                
  9 ILE  HA     13 LYS+ HN      4.85                
  9 ILE  HB      9 ILE  QG2     3.43                
  9 ILE  HB      9 ILE  HG12    3.67                
  9 ILE  HB      9 ILE  QD1     3.43                
  9 ILE  HB     10 PHE  HN      3.05                
  9 ILE  HB     94 LEU  HB2     3.21                
  9 ILE  HB     94 LEU  HB3     4.79                
  9 ILE  HB     94 LEU  QD1     3.74                
  9 ILE  HB     94 LEU  QD2     4.85                
  9 ILE  QG2     9 ILE  HG12    3.92                
  9 ILE  QG2     9 ILE  HG13    4.05                
  9 ILE  QG2     9 ILE  QD1     6.10                
  9 ILE  QG2    10 PHE  HN      4.64                
  9 ILE  QG2    10 PHE  HA      5.88                
  9 ILE  QG2    12 GLN  HN      6.53                
  9 ILE  QG2    13 LYS+ HN      5.81                
  9 ILE  QG2    13 LYS+ HA      6.53                
  9 ILE  QG2    13 LYS+ HB2     4.64                
  9 ILE  QG2    13 LYS+ QE      6.32                
  9 ILE  QG2    85 ILE  QD1     4.67                
  9 ILE  QG2    90 GLU- HB3     3.43                
  9 ILE  QG2    90 GLU- HG3     6.53                
  9 ILE  QG2    94 LEU  HA      5.60                
  9 ILE  HG12    9 ILE  HG13    2.40                
  9 ILE  HG12    9 ILE  QD1     3.43                
  9 ILE  HG13    9 ILE  QD1     3.43                
  9 ILE  HG13   10 PHE  HN      5.50                
  9 ILE  QD1    10 PHE  HN      6.34                
  9 ILE  QD1    13 LYS+ QE      6.63                
  9 ILE  QD1    90 GLU- HA      3.71                
  9 ILE  QD1    90 GLU- HB2     4.61                
  9 ILE  QD1    90 GLU- HB3     3.58                
  9 ILE  QD1    90 GLU- HG2     3.74                
  9 ILE  QD1    90 GLU- HG3     4.79                
  9 ILE  QD1    93 ASP- HN      6.53                
  9 ILE  QD1    93 ASP- HB2     4.39                
  9 ILE  QD1    93 ASP- HB3     4.42                
  9 ILE  QD1    94 LEU  HN      4.67                
  9 ILE  QD1    94 LEU  HA      6.53                
 10 PHE  HN     10 PHE  HA      3.30                
 10 PHE  HN     10 PHE  HB2     2.99                
 10 PHE  HN     10 PHE  HB3     2.96                
 10 PHE  HN     11 VAL  HN      3.17                
 10 PHE  HN     12 GLN  HN      4.29                
 10 PHE  HN     94 LEU  QD1     3.89                
 10 PHE  HN     94 LEU  QD2     6.37                
 10 PHE  HA     10 PHE  HB2     3.30                
 10 PHE  HA     10 PHE  HB3     3.52                
 10 PHE  HA     10 PHE  HD1     5.50                
 10 PHE  HA     10 PHE  HD2     5.50                
 10 PHE  HA     12 GLN  HN      5.50                
 10 PHE  HA     13 LYS+ HN      4.23                
 10 PHE  HA     14 CYSS HN      4.57                
 10 PHE  HA     14 CYSS HB3     3.45                
 10 PHE  HA     94 LEU  QD1     4.23                
 10 PHE  HA     94 LEU  QD2     5.97                
 10 PHE  HB2    10 PHE  HB3     2.40                
 10 PHE  HB2    10 PHE  HD1     5.50                
 10 PHE  HB2    10 PHE  HD2     5.50                
 10 PHE  HB2    11 VAL  HN      3.83                
 10 PHE  HB2    94 LEU  QD1     3.58                
 10 PHE  HB2    94 LEU  QD2     5.29                
 10 PHE  HB2    97 TYR  HE2     5.50                
 10 PHE  HB2    98 LEU  QD2     6.53                
 10 PHE  HB3    10 PHE  HD1     4.97                
 10 PHE  HB3    10 PHE  HD2     5.50                
 10 PHE  HB3    11 VAL  HN      3.24                
 10 PHE  HB3    11 VAL  QG2     5.32                
 10 PHE  HB3    94 LEU  QD1     4.23                
 10 PHE  HB3    94 LEU  QD2     6.53                
 10 PHE  HB3    97 TYR  HD2     5.50                
 10 PHE  HB3    97 TYR  HE2     5.50                
 10 PHE  HD1    10 PHE  HD2     3.24                
 10 PHE  HD1    10 PHE  HE1     5.50                
 10 PHE  HD1    10 PHE  HZ      5.50                
 10 PHE  HD1    15 ALA  QB      6.06                
 10 PHE  HD1    98 LEU  QD2     6.00                
 10 PHE  HD2    10 PHE  HE1     5.50                
 10 PHE  HD2    10 PHE  HZ      5.50                
 10 PHE  HD2    98 LEU  QD2     6.19                
 10 PHE  HD2   135 HEMC QM1     6.37                
 10 PHE  HE1    10 PHE  HE2     2.86                
 10 PHE  HE1    10 PHE  HZ      2.86                
 10 PHE  HE1    15 ALA  QB      5.10                
 10 PHE  HE1    32 LEU  QD1     6.53                
 10 PHE  HE1    98 LEU  QD2     6.50                
 10 PHE  HE2    10 PHE  HZ      3.05                
 10 PHE  HE2    98 LEU  QD2     6.19                
 10 PHE  HE2   135 HEMC QM1     5.50                
 10 PHE  HZ     14 CYSS HB3     5.50                
 10 PHE  HZ     15 ALA  HA      4.66                
 10 PHE  HZ     15 ALA  QB      6.12                
 10 PHE  HZ     18 HIS  HN      5.50                
 10 PHE  HZ     18 HIS  HB2     3.70                
 10 PHE  HZ     18 HIS  HB3     3.45                
 10 PHE  HZ     19 THR  HA      5.19                
 10 PHE  HZ     20 VAL  HN      5.50                
 10 PHE  HZ     20 VAL  QG1     3.86                
 10 PHE  HZ     20 VAL  QG2     5.78                
 10 PHE  HZ     32 LEU  QD1     5.35                
 10 PHE  HZ     98 LEU  QD2     5.75                
 11 VAL  HN     11 VAL  HA      3.21                
 11 VAL  HN     11 VAL  HB      2.74                
 11 VAL  HN     11 VAL  QG1     4.45                
 11 VAL  HN     11 VAL  QG2     3.43                
 11 VAL  HN     12 GLN  HN      3.17                
 11 VAL  HN     12 GLN  HG3     5.50                
 11 VAL  HN     13 LYS+ HN      5.25                
 11 VAL  HN     94 LEU  QD1     6.53                
 11 VAL  HA     11 VAL  HB      2.96                
 11 VAL  HA     11 VAL  QG1     3.43                
 11 VAL  HA     11 VAL  QG2     3.49                
 11 VAL  HA     13 LYS+ HN      5.16                
 11 VAL  HA     14 CYSS HN      5.50                
 11 VAL  HA     15 ALA  HN      3.61                
 11 VAL  HA     15 ALA  HA      5.25                
 11 VAL  HA     15 ALA  QB      3.43                
 11 VAL  HB     11 VAL  QG1     3.43                
 11 VAL  HB     11 VAL  QG2     3.43                
 11 VAL  HB     12 GLN  HN      3.45                
 11 VAL  HB     12 GLN  HG2     4.63                
 11 VAL  HB     12 GLN  HG3     4.82                
 11 VAL  QG1    11 VAL  QG2     4.83                
 11 VAL  QG1    12 GLN  HN      4.95                
 11 VAL  QG1    12 GLN  HA      5.32                
 11 VAL  QG1    15 ALA  QB      5.54                
 11 VAL  QG2    12 GLN  HN      5.23                
 11 VAL  QG2    15 ALA  QB      5.51                
 12 GLN  HN     12 GLN  HA      3.36                
 12 GLN  HN     12 GLN  HB2     2.90                
 12 GLN  HN     12 GLN  HB3     3.76                
 12 GLN  HN     12 GLN  HG2     4.48                
 12 GLN  HN     12 GLN  HG3     3.86                
 12 GLN  HN     13 LYS+ HN      3.11                
 12 GLN  HN     13 LYS+ HB2     5.50                
 12 GLN  HN     14 CYSS HN      5.28                
 12 GLN  HA     12 GLN  HB2     3.17                
 12 GLN  HA     12 GLN  HB3     2.83                
 12 GLN  HA     12 GLN  HG2     3.05                
 12 GLN  HA     12 GLN  HG3     4.01                
 12 GLN  HA     13 LYS+ HN      3.89                
 12 GLN  HB2    12 GLN  HG2     3.48                
 12 GLN  HB2    12 GLN  HG3     3.36                
 12 GLN  HB2    13 LYS+ HN      3.55                
 12 GLN  HB3    12 GLN  HG2     3.39                
 12 GLN  HB3    12 GLN  HG3     3.76                
 12 GLN  HB3    13 LYS+ HN      4.23                
 12 GLN  HG2    12 GLN  HG3     2.55                
 12 GLN  HG3    12 GLN  HE21    5.50                
 12 GLN  HG3    12 GLN  HE22    5.50                
 12 GLN  HE21   12 GLN  HE22    2.40                
 13 LYS+ HN     13 LYS+ HA      3.64                
 13 LYS+ HN     13 LYS+ HB2     3.30                
 13 LYS+ HN     13 LYS+ QG      5.82                
 13 LYS+ HN     13 LYS+ QD      4.86                
 13 LYS+ HN     14 CYSS HN      3.05                
 13 LYS+ HN     15 ALA  HN      4.38                
 13 LYS+ HA     13 LYS+ HB2     3.24                
 13 LYS+ HA     13 LYS+ QG      4.11                
 13 LYS+ HA     13 LYS+ QD      4.45                
 13 LYS+ HA     13 LYS+ QE      6.38                
 13 LYS+ HA     14 CYSS HN      4.14                
 13 LYS+ HA    135 HEMC QT2     6.50                
 13 LYS+ HB2    13 LYS+ QG      3.49                
 13 LYS+ HB2    13 LYS+ QE      6.38                
 13 LYS+ HB2    85 ILE  QD1     5.60                
 13 LYS+ HB2   135 HEMC QT2     4.17                
 13 LYS+ QG     13 LYS+ QE      7.25                
 13 LYS+ QG     14 CYSS HN      6.38                
 13 LYS+ QG     85 ILE  QD1     5.95                
 13 LYS+ QG    135 HEMC QT2     5.30                
 13 LYS+ QD     13 LYS+ QE      5.55                
 13 LYS+ QD     14 CYSS HN      6.38                
 13 LYS+ QE     85 ILE  QG2     7.40                
 13 LYS+ QE     85 ILE  QD1     7.40                
 14 CYSS HN     14 CYSS HA      3.73                
 14 CYSS HN     14 CYSS HB2     4.79                
 14 CYSS HN     14 CYSS HB3     3.64                
 14 CYSS HN     15 ALA  HN      2.65                
 14 CYSS HN     15 ALA  HA      4.88                
 14 CYSS HN     15 ALA  QB      5.04                
 14 CYSS HN     16 GLN  HN      5.50                
 14 CYSS HN    135 HEMC HT2A    5.50                
 14 CYSS HA     15 ALA  HN      4.45                
 14 CYSS HA    135 HEMC HT2A    3.14                
 14 CYSS HA    135 HEMC QM3     3.80                
 14 CYSS HB2   135 HEMC QM1     6.53                
 14 CYSS HB3    15 ALA  HN      3.36                
 14 CYSS HB3   135 HEMC QM1     5.94                
 14 CYSS SG    135 HEMC CAB     2.10  5.00E+00                 
 15 ALA  HN     15 ALA  HA      3.17                
 15 ALA  HN     15 ALA  QB      3.43                
 15 ALA  HN     16 GLN  HN      3.83                
 15 ALA  HN     17 CYSS HN      5.50                
 15 ALA  HA     15 ALA  QB      3.43                
 15 ALA  HA     16 GLN  HN      4.23                
 15 ALA  HA     17 CYSS HN      4.38                
 15 ALA  HA     18 HIS  HN      3.48                
 15 ALA  HA     18 HIS  HB3     5.50                
 15 ALA  QB     16 GLN  HN      4.85                
 15 ALA  QB     18 HIS  HN      6.53                
 16 GLN  HN     16 GLN  HA      3.58                
 16 GLN  HN     16 GLN  HB2     3.33                
 16 GLN  HN     16 GLN  HB3     3.55                
 16 GLN  HN     16 GLN  HG2     5.50                
 16 GLN  HN     16 GLN  HG3     4.57                
 16 GLN  HN     17 CYSS HN      3.52                
 16 GLN  HN     18 HIS  HN      3.89                
 16 GLN  HA     16 GLN  HB2     2.96                
 16 GLN  HA     16 GLN  HG2     4.72                
 16 GLN  HA     16 GLN  HG3     5.10                
 16 GLN  HA     17 CYSS HN      5.50                
 16 GLN  HB2    16 GLN  HG2     3.02                
 16 GLN  HB2    16 GLN  HG3     2.40                
 16 GLN  HB2    17 CYSS HN      4.97                
 16 GLN  HB2   135 HEMC QT4     6.53                
 16 GLN  HB3    17 CYSS HN      4.57                
 16 GLN  HG2    16 GLN  HG3     2.40                
 16 GLN  HG2    16 GLN  HE21    5.28                
 16 GLN  HG2    16 GLN  HE22    5.50                
 16 GLN  HG2    17 CYSS HN      5.50                
 16 GLN  HG2   135 HEMC QM3     6.53                
 16 GLN  HG2   135 HEMC QT4     6.53                
 16 GLN  HG3    16 GLN  HE21    5.25                
 16 GLN  HG3    16 GLN  HE22    5.50                
 16 GLN  HG3    17 CYSS HN      5.50                
 16 GLN  HG3   135 HEMC QM3     6.53                
 16 GLN  HG3   135 HEMC QT4     6.53                
 16 GLN  HE21   16 GLN  HE22    2.40                
 16 GLN  HE21  135 HEMC QM3     6.53                
 16 GLN  HE21  135 HEMC HT4A    5.50                
 16 GLN  HE21  135 HEMC QT4     6.53                
 16 GLN  HE22  135 HEMC HT4A    5.50                
 16 GLN  HE22  135 HEMC QT4     6.53                
 17 CYSS HN     17 CYSS HA      4.11                
 17 CYSS HN     18 HIS  HN      2.83                
 17 CYSS HA     27 LYS+ HA      5.50                
 17 CYSS HA     27 LYS+ HB2     3.73                
 17 CYSS HA     27 LYS+ HD2     5.50                
 17 CYSS HA     27 LYS+ QE      6.38                
 17 CYSS HA     28 THR  HN      5.50                
 17 CYSS HA     28 THR  HA      5.50                
 17 CYSS HA     28 THR  HB      3.92                
 17 CYSS HA     28 THR  QG2     6.53                
 17 CYSS SG    135 HEMC CAC     2.10  5.00E+00                 
 18 HIS  HN     18 HIS  HA      2.99                
 18 HIS  HN     18 HIS  HB2     3.89                
 18 HIS  HN     18 HIS  HB3     5.50                
 18 HIS  HA     18 HIS  HB2     3.55                
 18 HIS  HA     18 HIS  HB3     3.24                
 18 HIS  HA     19 THR  HA      4.97                
 18 HIS  HA     19 THR  HB      5.50                
 18 HIS  HA     27 LYS+ QB      6.25                
 18 HIS  HA     27 LYS+ HD2     4.57                
 18 HIS  HA     27 LYS+ QD      4.64                
 18 HIS  HA     31 ASN  HA      5.13                
 18 HIS  HB2    18 HIS  HB3     2.40                
 18 HIS  HB2    32 LEU  HG      5.07                
 18 HIS  HB3    20 VAL  QG1     6.53                
 18 HIS  HB3    32 LEU  HG      3.70                
 18 HIS  HB3    32 LEU  QD1     4.02                
 18 HIS  HB3    32 LEU  QD2     6.53                
 18 HIS  HD1    32 LEU  HG      3.00                
 18 HIS  HD1    32 LEU  QD1     5.50                
 18 HIS  HD1    32 LEU  QD2     4.00                
 18 HIS  NE2   135 HEMC FE      2.20  5.00E+00                 
 18 HIS  HD2   135 HEMC QM1     6.00  5.00E+00                 
 18 HIS  HD2   135 HEMC QM3     6.00  5.00E+00                 
 19 THR  HN     19 THR  HA      3.42                
 19 THR  HN     19 THR  HB      5.50                
 19 THR  HN     19 THR  QG2     4.08                
 19 THR  HN     19 THR  HG1     5.50                
 19 THR  HN     31 ASN  HA      3.24                
 19 THR  HN     32 LEU  HN      5.31                
 19 THR  HA     19 THR  HB      2.83                
 19 THR  HA     19 THR  QG2     3.43                
 19 THR  HA     19 THR  HG1     5.50                
 19 THR  HA     20 VAL  HN      2.68                
 19 THR  HA     20 VAL  HA      5.50                
 19 THR  HA     20 VAL  QG1     4.88                
 19 THR  HA     20 VAL  QG2     4.82                
 19 THR  HA     21 GLU- HN      4.97                
 19 THR  HB     19 THR  QG2     3.43                
 19 THR  HB     19 THR  HG1     3.95                
 19 THR  HB     20 VAL  HN      3.14                
 19 THR  HB     20 VAL  QG1     6.53                
 19 THR  HB     20 VAL  QG2     6.34                
 19 THR  HB     21 GLU- HN      4.17                
 19 THR  HB     21 GLU- HG2     5.50                
 19 THR  HB     24 GLY  HN      5.50                
 19 THR  HB     24 GLY  HA1     5.50                
 19 THR  HB     24 GLY  HA2     5.47                
 19 THR  HB     31 ASN  HA      5.07                
 19 THR  HB     31 ASN  HB2     5.44                
 19 THR  HB     31 ASN  HB3     5.50                
 19 THR  HB     31 ASN  QD2     6.37                
 19 THR  QG2    19 THR  HG1     5.63                
 19 THR  QG2    20 VAL  HN      4.70                
 19 THR  QG2    20 VAL  QG1     7.56                
 19 THR  QG2    21 GLU- HN      6.53                
 19 THR  QG2    24 GLY  HA1     5.88                
 19 THR  QG2    24 GLY  HA2     6.53                
 19 THR  QG2    31 ASN  HA      5.04                
 19 THR  HG1    20 VAL  HA      5.50                
 19 THR  HG1    24 GLY  HN      4.85                
 19 THR  HG1    24 GLY  HA2     4.01                
 19 THR  HG1    31 ASN  HN      5.50                
 19 THR  HG1    31 ASN  HA      3.48                
 19 THR  HG1    31 ASN  HB2     3.33                
 19 THR  HG1    31 ASN  HB3     4.76                
 20 VAL  HN     20 VAL  HA      3.55                
 20 VAL  HN     20 VAL  HB      4.32                
 20 VAL  HN     20 VAL  QG1     4.36                
 20 VAL  HN     20 VAL  QG2     3.43                
 20 VAL  HN     21 GLU- HN      2.96                
 20 VAL  HN     21 GLU- HA      5.50                
 20 VAL  HN     21 GLU- HB2     4.51                
 20 VAL  HN     21 GLU- HG2     5.50                
 20 VAL  HN    101 ALA  QB      6.53                
 20 VAL  HA     20 VAL  HB      2.71                
 20 VAL  HA     20 VAL  QG1     3.58                
 20 VAL  HA     20 VAL  QG2     4.02                
 20 VAL  HA     31 ASN  QD2     6.37                
 20 VAL  HA     32 LEU  HN      3.36                
 20 VAL  HA     32 LEU  HB2     3.83                
 20 VAL  HA     32 LEU  HB3     5.50                
 20 VAL  HA     33 HIS  HN      4.60                
 20 VAL  HA     33 HIS  HB2     5.50                
 20 VAL  HA    101 ALA  QB      6.53                
 20 VAL  HB     20 VAL  QG1     3.43                
 20 VAL  HB     20 VAL  QG2     3.43                
 20 VAL  HB     98 LEU  QD2     5.94                
 20 VAL  HB    101 ALA  HN      5.50                
 20 VAL  HB    101 ALA  QB      3.99                
 20 VAL  HB    102 THR  QG2     3.43                
 20 VAL  QG1    20 VAL  QG2     6.07                
 20 VAL  QG1    32 LEU  HN      6.12                
 20 VAL  QG1    32 LEU  QD1     7.56                
 20 VAL  QG1    97 TYR  HE1     6.53                
 20 VAL  QG1    97 TYR  HE2     6.53                
 20 VAL  QG1    98 LEU  HA      5.29                
 20 VAL  QG1    98 LEU  QD2     6.04                
 20 VAL  QG1   102 THR  HA      6.09                
 20 VAL  QG2    21 GLU- HN      4.64                
 20 VAL  QG2    21 GLU- HA      6.53                
 20 VAL  QG2    21 GLU- HB2     4.98                
 20 VAL  QG2    21 GLU- HG2     4.70                
 20 VAL  QG2    32 LEU  HN      6.53                
 20 VAL  QG2    97 TYR  HE1     5.41                
 20 VAL  QG2    97 TYR  HE2     6.53                
 20 VAL  QG2    98 LEU  QD2     5.39                
 20 VAL  QG2   101 ALA  QB      4.46                
 20 VAL  QG2   102 THR  HA      5.01                
 21 GLU- HN     21 GLU- HA      4.51                
 21 GLU- HN     21 GLU- HB2     3.33                
 21 GLU- HN     21 GLU- HG2     4.45                
 21 GLU- HA     21 GLU- HB2     2.74                
 21 GLU- HA     21 GLU- HG2     3.55                
 21 GLU- HA     22 LYS+ HN      2.74                
 21 GLU- HA     22 LYS+ HG3     5.50                
 21 GLU- HB2    21 GLU- HG2     2.40                
 21 GLU- HB2    22 LYS+ HN      2.86                
 21 GLU- HB2    24 GLY  HN      3.92                
 21 GLU- HG2    22 LYS+ HN      4.57                
 21 GLU- HG2    24 GLY  HN      3.79                
 21 GLU- HG2    24 GLY  HA1     5.44                
 21 GLU- HG2    24 GLY  HA2     4.69                
 22 LYS+ HN     22 LYS+ HA      3.39                
 22 LYS+ HN     22 LYS+ HB2     2.96                
 22 LYS+ HN     22 LYS+ HG2     5.50                
 22 LYS+ HN     22 LYS+ HG3     3.11                
 22 LYS+ HN     22 LYS+ HD2     5.50                
 22 LYS+ HN     22 LYS+ HD3     5.50                
 22 LYS+ HN     22 LYS+ HE2     5.50                
 22 LYS+ HN     24 GLY  HN      5.50                
 22 LYS+ HN     33 HIS  HB2     5.50                
 22 LYS+ HN     33 HIS  HD2     5.50                
 22 LYS+ HA     22 LYS+ HB2     3.39                
 22 LYS+ HA     22 LYS+ HG2     3.55                
 22 LYS+ HA     22 LYS+ HG3     3.39                
 22 LYS+ HA     22 LYS+ HD2     4.35                
 22 LYS+ HA     22 LYS+ HD3     4.29                
 22 LYS+ HA     22 LYS+ HE2     5.38                
 22 LYS+ HA     23 GLY  HN      3.08                
 22 LYS+ HA     24 GLY  HN      4.26                
 22 LYS+ HA     33 HIS  HB3     4.23                
 22 LYS+ HB2    22 LYS+ HG2     4.07                
 22 LYS+ HB2    22 LYS+ HG3     2.40                
 22 LYS+ HB2    22 LYS+ HE2     3.39                
 22 LYS+ HG2    22 LYS+ HG3     2.55                
 22 LYS+ HG2    22 LYS+ HD2     2.96                
 22 LYS+ HG2    22 LYS+ HE2     4.54                
 22 LYS+ HG2    23 GLY  HN      5.22                
 22 LYS+ HG3    22 LYS+ HD2     3.08                
 22 LYS+ HG3    22 LYS+ HE2     5.50                
 22 LYS+ HD2    22 LYS+ HE2     2.43                
 22 LYS+ HD3    22 LYS+ HE2     5.10                
 23 GLY  HN     23 GLY  HA1     3.86                
 23 GLY  HN     23 GLY  HA2     3.48                
 23 GLY  HN     24 GLY  HN      3.95                
 23 GLY  HN     31 ASN  QD2     6.37                
 23 GLY  HA1    23 GLY  HA2     2.49                
 23 GLY  HA1    24 GLY  HN      4.23                
 23 GLY  HA2    24 GLY  HN      3.33                
 24 GLY  HN     24 GLY  HA1     3.17                
 24 GLY  HN     24 GLY  HA2     2.74                
 24 GLY  HN     25 LYS+ HN      4.66                
 24 GLY  HN     31 ASN  QD2     5.78                
 24 GLY  HA1    24 GLY  HA2     2.52                
 24 GLY  HA1    25 LYS+ HN      2.83                
 24 GLY  HA2    25 LYS+ HN      3.14                
 24 GLY  HA2    31 ASN  QD2     6.30                
 25 LYS+ HN     25 LYS+ HA      3.36                
 25 LYS+ HN     25 LYS+ HB2     3.64                
 25 LYS+ HN     25 LYS+ HB3     3.17                
 25 LYS+ HN     25 LYS+ HG2     3.17                
 25 LYS+ HN     25 LYS+ HD2     5.47                
 25 LYS+ HN     25 LYS+ QE      6.38                
 25 LYS+ HN     26 HIS  HN      5.47                
 25 LYS+ HA     25 LYS+ HB2     3.08                
 25 LYS+ HA     25 LYS+ HB3     3.48                
 25 LYS+ HA     25 LYS+ HG2     3.73                
 25 LYS+ HA     25 LYS+ HD2     4.57                
 25 LYS+ HA     26 HIS  HN      2.80                
 25 LYS+ HB2    25 LYS+ HG2     3.42                
 25 LYS+ HB2    25 LYS+ QE      6.38                
 25 LYS+ HB3    25 LYS+ QE      5.94                
 25 LYS+ HB3    26 HIS  HN      3.95                
 25 LYS+ HG2    25 LYS+ QE      5.07                
 25 LYS+ HG2    26 HIS  HN      5.50                
 25 LYS+ HG2    27 LYS+ HG2     2.71                
 25 LYS+ HD2    25 LYS+ QE      3.93                
 26 HIS  HN     26 HIS  HA      3.73                
 26 HIS  HN     26 HIS  HB2     3.89                
 26 HIS  HN     26 HIS  HB3     3.48                
 26 HIS  HN     27 LYS+ HN      4.48                
 26 HIS  HN     31 ASN  HB2     4.69                
 26 HIS  HA     26 HIS  HB2     3.45                
 26 HIS  HA     26 HIS  HB3     3.30                
 26 HIS  HA     26 HIS  HD2     5.50                
 26 HIS  HA     26 HIS  HE1     5.50                
 26 HIS  HA     27 LYS+ HN      2.80                
 26 HIS  HA     30 PRO  HA      4.45                
 26 HIS  HA     31 ASN  HN      3.92                
 26 HIS  HB2    26 HIS  HB3     2.62                
 26 HIS  HB2    26 HIS  HD2     4.26                
 26 HIS  HB2    27 LYS+ HN      4.69                
 26 HIS  HB2    30 PRO  HA      5.50                
 26 HIS  HB3    26 HIS  HD2     4.07                
 26 HIS  HB3    27 LYS+ HN      4.42                
 26 HIS  HB3    30 PRO  HA      3.83                
 26 HIS  HD2    26 HIS  HE1     5.50                
 26 HIS  HD2    30 PRO  HA      5.50                
 26 HIS  HD2    30 PRO  HB2     5.10                
 26 HIS  HD2    45 GLY  HA1     5.50                
 26 HIS  HD2    45 GLY  HA2     5.50                
 26 HIS  HD2    46 PHE  HA      4.88                
 26 HIS  HE1    30 PRO  HA      4.63                
 26 HIS  HE1    30 PRO  HB2     4.66                
 26 HIS  HE1    30 PRO  HB3     5.50                
 26 HIS  HE1    31 ASN  HN      3.45                
 26 HIS  HE1    31 ASN  HA      5.50                
 26 HIS  HE1    31 ASN  HB2     4.38                
 26 HIS  HE1    31 ASN  HB3     3.64                
 26 HIS  HE1    43 ALA  QB      3.43                
 26 HIS  HE1    46 PHE  HB3     4.88                
 27 LYS+ HN     27 LYS+ HA      3.55                
 27 LYS+ HN     27 LYS+ HB2     3.52                
 27 LYS+ HN     27 LYS+ HB3     3.52                
 27 LYS+ HN     27 LYS+ HG2     5.50                
 27 LYS+ HN     28 THR  HN      5.50                
 27 LYS+ HN     30 PRO  HA      5.50                
 27 LYS+ HA     27 LYS+ HB2     2.80                
 27 LYS+ HA     27 LYS+ HG2     2.90                
 27 LYS+ HA     27 LYS+ HD2     5.50                
 27 LYS+ HB2    27 LYS+ HG2     3.05                
 27 LYS+ HB2    27 LYS+ HD2     3.86                
 27 LYS+ HB2    27 LYS+ QE      6.38                
 27 LYS+ HB2    28 THR  HN      4.11                
 27 LYS+ HG2    27 LYS+ QE      6.38                
 27 LYS+ HD2    27 LYS+ QE      6.38                
 28 THR  HN     28 THR  HA      4.57                
 28 THR  HN     28 THR  HB      3.67                
 28 THR  HN     28 THR  QG2     5.69                
 28 THR  HA     28 THR  HB      3.30                
 28 THR  HA     28 THR  QG2     3.52                
 28 THR  HB     28 THR  QG2     3.43                
 28 THR  HB    135 HEMC HT4A    5.00                
 28 THR  HB    135 HEMC QT4     6.53                
 28 THR  QG2   135 HEMC HT4A    3.89                
 28 THR  QG2   135 HEMC QT4     5.70                
 28 THR  QG2   135 HEMC QM5     5.63                
 30 PRO  HA     30 PRO  HB2     3.67                
 30 PRO  HA     30 PRO  HB3     2.99                
 30 PRO  HA     31 ASN  HN      3.14                
 30 PRO  HA     31 ASN  HB2     4.69                
 30 PRO  HA     31 ASN  HB3     5.50                
 30 PRO  HA     46 PHE  HB2     4.66                
 30 PRO  HA     46 PHE  HB3     5.50                
 30 PRO  HB2    30 PRO  HB3     2.40                
 30 PRO  HB2    31 ASN  HN      4.54                
 30 PRO  HB2    43 ALA  QB      3.43                
 30 PRO  HB2    46 PHE  HB2     3.30                
 30 PRO  HB2    46 PHE  HB3     4.35                
 30 PRO  HB3    31 ASN  HN      4.85                
 30 PRO  HB3    43 ALA  QB      3.95                
 30 PRO  HB3    46 PHE  HB2     5.28                
 30 PRO  HB3    46 PHE  HB3     4.45                
 31 ASN  HN     31 ASN  HA      3.67                
 31 ASN  HN     31 ASN  HB2     3.21                
 31 ASN  HN     31 ASN  HB3     3.05                
 31 ASN  HN     32 LEU  HN      5.50                
 31 ASN  HN     43 ALA  QB      5.63                
 31 ASN  HA     31 ASN  HB2     2.99                
 31 ASN  HA     31 ASN  HB3     3.30                
 31 ASN  HA     31 ASN  QD2     6.37                
 31 ASN  HA     32 LEU  HN      2.65                
 31 ASN  HA     32 LEU  HB2     5.31                
 31 ASN  HA     33 HIS  HN      4.79                
 31 ASN  HB2    31 ASN  HB3     2.40                
 31 ASN  HB2    31 ASN  QD2     5.81                
 31 ASN  HB2    32 LEU  HN      4.26                
 31 ASN  HB3    31 ASN  QD2     6.37                
 31 ASN  HB3    32 LEU  HN      5.38                
 31 ASN  QD2    32 LEU  HN      6.37                
 32 LEU  HN     32 LEU  HA      3.73                
 32 LEU  HN     32 LEU  HB2     3.17                
 32 LEU  HN     32 LEU  HB3     3.92                
 32 LEU  HN     32 LEU  HG      3.79                
 32 LEU  HN     32 LEU  QD1     6.53                
 32 LEU  HN     32 LEU  QD2     6.53                
 32 LEU  HN     33 HIS  HN      3.52                
 32 LEU  HA     32 LEU  HB2     3.11                
 32 LEU  HA     32 LEU  HB3     3.05                
 32 LEU  HA     32 LEU  QD1     6.53                
 32 LEU  HA     32 LEU  QD2     4.26                
 32 LEU  HA     33 HIS  HN      3.67                
 32 LEU  HA     35 LEU  QD1     6.43                
 32 LEU  HA     35 LEU  QD2     6.53                
 32 LEU  HA     43 ALA  QB      4.48                
 32 LEU  HB2    32 LEU  QD1     4.85                
 32 LEU  HB2    32 LEU  QD2     6.53                
 32 LEU  HB2    35 LEU  QD1     6.53                
 32 LEU  HB2    35 LEU  QD2     6.53                
 32 LEU  HG     32 LEU  QD1     5.13                
 32 LEU  HG     32 LEU  QD2     5.78                
 32 LEU  QD1    32 LEU  QD2     7.21                
 32 LEU  QD1    98 LEU  QD2     6.32                
 32 LEU  QD1   135 HEMC QM8     7.56                
 32 LEU  QD1   135 HEMC QM1     7.43                
 32 LEU  QD2   135 HEMC QM8     6.53                
 33 HIS  HN     33 HIS  HA      3.14                
 33 HIS  HN     33 HIS  HB2     2.93                
 33 HIS  HN     33 HIS  HB3     3.08                
 33 HIS  HN     34 GLY  HN      5.50                
 33 HIS  HN    102 THR  QG2     6.53                
 33 HIS  HA     33 HIS  HB2     3.14                
 33 HIS  HA     33 HIS  HB3     4.04                
 33 HIS  HA     34 GLY  HN      2.80                
 33 HIS  HA    102 THR  QG2     5.04                
 33 HIS  HB2    33 HIS  HB3     2.40                
 33 HIS  HB2    33 HIS  HD2     5.50                
 33 HIS  HB2    34 GLY  HN      5.50                
 33 HIS  HB3    33 HIS  HD2     5.50                
 33 HIS  HB3    34 GLY  HN      5.00                
 33 HIS  HD2   102 THR  HA      5.38                
 34 GLY  HN     34 GLY  HA1     3.42                
 34 GLY  HN     34 GLY  HA2     3.02                
 34 GLY  HN     35 LEU  HN      3.33                
 34 GLY  HN     35 LEU  HB2     5.50                
 34 GLY  HN    102 THR  HA      3.98                
 34 GLY  HN    102 THR  HB      3.30                
 34 GLY  HA1    34 GLY  HA2     2.46                
 34 GLY  HA1    35 LEU  HN      4.11                
 34 GLY  HA2    35 LEU  HN      4.35                
 35 LEU  HN     35 LEU  HA      3.17                
 35 LEU  HN     35 LEU  HB2     2.77                
 35 LEU  HN     35 LEU  HB3     2.86                
 35 LEU  HN     35 LEU  HG      5.50                
 35 LEU  HN     35 LEU  QD1     5.19                
 35 LEU  HN     35 LEU  QD2     5.54                
 35 LEU  HN     36 PHE  HN      3.92                
 35 LEU  HN    102 THR  HB      3.02                
 35 LEU  HN    102 THR  QG2     5.57                
 35 LEU  HA     35 LEU  HB2     2.86                
 35 LEU  HA     35 LEU  HB3     3.14                
 35 LEU  HA     35 LEU  HG      4.14                
 35 LEU  HA     35 LEU  QD1     3.43                
 35 LEU  HA     35 LEU  QD2     5.41                
 35 LEU  HA     36 PHE  HN      4.04                
 35 LEU  HA     36 PHE  QD      7.62                
 35 LEU  HA     38 ARG+ HE      5.50                
 35 LEU  HA     59 TRP  HD1     5.50                
 35 LEU  HB2    35 LEU  HB3     2.40                
 35 LEU  HB2    35 LEU  HG      3.86                
 35 LEU  HB2    35 LEU  QD1     3.80                
 35 LEU  HB2    35 LEU  QD2     3.77                
 35 LEU  HB2    36 PHE  QD      7.50                
 35 LEU  HB3    35 LEU  HG      3.14                
 35 LEU  HB3    35 LEU  QD1     3.86                
 35 LEU  HB3    35 LEU  QD2     3.43                
 35 LEU  HB3    36 PHE  HN      3.33                
 35 LEU  HB3    36 PHE  QD      6.04                
 35 LEU  HB3    36 PHE  QE      7.53                
 35 LEU  HG     35 LEU  QD1     3.43                
 35 LEU  HG     35 LEU  QD2     3.43                
 35 LEU  HG     36 PHE  HN      5.50                
 35 LEU  HG     36 PHE  HA      5.50                
 35 LEU  HG     36 PHE  QD      7.62                
 35 LEU  HG     38 ARG+ HB3     5.50                
 35 LEU  HG     59 TRP  HB2     4.07                
 35 LEU  HG     59 TRP  HB3     3.95                
 35 LEU  HG     59 TRP  HD1     5.34                
 35 LEU  HG     59 TRP  HE1     5.50                
 35 LEU  HG     64 LEU  QD1     5.57                
 35 LEU  HG     64 LEU  QD2     5.75                
 35 LEU  QD1    35 LEU  QD2     4.77                
 35 LEU  QD1    36 PHE  HN      6.53                
 35 LEU  QD1    36 PHE  QD      8.65                
 35 LEU  QD1    36 PHE  QE      7.84                
 35 LEU  QD1    38 ARG+ HB3     5.07                
 35 LEU  QD1    38 ARG+ HE      6.00                
 35 LEU  QD1    59 TRP  HB2     4.73                
 35 LEU  QD1    59 TRP  HB3     4.70                
 35 LEU  QD1    59 TRP  HD1     3.77                
 35 LEU  QD1    59 TRP  HE1     5.19                
 35 LEU  QD1    59 TRP  HZ2     6.53                
 35 LEU  QD1   135 HEMC QM8     5.48                
 35 LEU  QD2    36 PHE  HN      6.53                
 35 LEU  QD2    36 PHE  QD      7.69                
 35 LEU  QD2    36 PHE  QE      7.41                
 35 LEU  QD2    36 PHE  HZ      6.47                
 35 LEU  QD2    59 TRP  HB2     6.53                
 35 LEU  QD2    59 TRP  HB3     5.75                
 35 LEU  QD2    59 TRP  HD1     6.12                
 35 LEU  QD2    59 TRP  HE1     6.53                
 35 LEU  QD2    64 LEU  QD2     6.35                
 35 LEU  QD2    98 LEU  HB2     4.76                
 35 LEU  QD2    98 LEU  HB3     5.10                
 35 LEU  QD2    98 LEU  QD1     6.38                
 35 LEU  QD2    98 LEU  QD2     7.56                
 35 LEU  QD2   102 THR  HB      6.53                
 35 LEU  QD2   135 HEMC QM8     5.39                
 36 PHE  HN     36 PHE  HA      3.42                
 36 PHE  HN     36 PHE  HB2     2.99                
 36 PHE  HN     36 PHE  HB3     3.48                
 36 PHE  HN     36 PHE  QD      5.64                
 36 PHE  HN     36 PHE  QE      7.62                
 36 PHE  HN     37 GLY  HN      4.42                
 36 PHE  HA     36 PHE  HB2     4.01                
 36 PHE  HA     36 PHE  HB3     3.45                
 36 PHE  HA     36 PHE  QD      7.28                
 36 PHE  HA     37 GLY  HN      2.68                
 36 PHE  HA     37 GLY  HA1     5.50                
 36 PHE  HA     59 TRP  HB2     5.50                
 36 PHE  HB2    36 PHE  HB3     2.40                
 36 PHE  HB2    36 PHE  QD      5.95                
 36 PHE  HB2    36 PHE  QE      7.59                
 36 PHE  HB2    37 GLY  HN      5.50                
 36 PHE  HB3    36 PHE  QD      5.70                
 36 PHE  HB3    36 PHE  QE      7.62                
 36 PHE  HB3    37 GLY  HN      4.57                
 36 PHE  QD     36 PHE  QE      7.73                
 36 PHE  QD     36 PHE  HZ      7.56                
 36 PHE  QD     37 GLY  HN      7.62                
 36 PHE  QD     60 LYS+ HA      6.23                
 36 PHE  QD     60 LYS+ HB2     7.62                
 36 PHE  QD     60 LYS+ HB3     7.62                
 36 PHE  QD     61 GLU- HN      7.62                
 36 PHE  QD     61 GLU- HA      7.62                
 36 PHE  QD     61 GLU- HB3     7.62                
 36 PHE  QD     64 LEU  QD1     8.65                
 36 PHE  QD     95 ILE  QG2     8.65                
 36 PHE  QD     99 LYS+ HA      7.25                
 36 PHE  QD     99 LYS+ HG2     7.62                
 36 PHE  QD     99 LYS+ HG3     7.62                
 36 PHE  QD     99 LYS+ QD      8.50                
 36 PHE  QE     36 PHE  HZ      5.02                
 36 PHE  QE     60 LYS+ HA      7.62                
 36 PHE  QE     61 GLU- HN      7.62                
 36 PHE  QE     61 GLU- HA      7.00                
 36 PHE  QE     61 GLU- HB2     7.62                
 36 PHE  QE     61 GLU- HB3     6.97                
 36 PHE  QE     61 GLU- QG      8.50                
 36 PHE  QE     64 LEU  QD1     6.98                
 36 PHE  QE     64 LEU  QD2     8.65                
 36 PHE  QE     95 ILE  HA      7.62                
 36 PHE  QE     95 ILE  QG2     5.95                
 36 PHE  QE     95 ILE  QD1     8.65                
 36 PHE  QE     98 LEU  HN      7.62                
 36 PHE  QE     98 LEU  HA      7.62                
 36 PHE  QE     98 LEU  HB2     6.32                
 36 PHE  QE     98 LEU  HB3     6.07                
 36 PHE  QE     98 LEU  HG      7.62                
 36 PHE  QE     98 LEU  QD2     8.65                
 36 PHE  QE     99 LYS+ HN      7.62                
 36 PHE  QE     99 LYS+ HA      6.32                
 36 PHE  QE     99 LYS+ QB      8.50                
 36 PHE  QE     99 LYS+ HG2     6.82                
 36 PHE  QE     99 LYS+ HG3     7.62                
 36 PHE  QE     99 LYS+ QD      8.50                
 36 PHE  HZ     61 GLU- HA      5.50                
 36 PHE  HZ     61 GLU- HB3     5.50                
 36 PHE  HZ     64 LEU  HB2     5.50                
 36 PHE  HZ     64 LEU  QD1     4.05                
 36 PHE  HZ     64 LEU  QD2     5.10                
 36 PHE  HZ     95 ILE  HA      4.35                
 36 PHE  HZ     95 ILE  QG2     3.43                
 36 PHE  HZ     95 ILE  HG12    5.50                
 36 PHE  HZ     95 ILE  QD1     6.53                
 36 PHE  HZ     98 LEU  HB2     4.04                
 36 PHE  HZ     98 LEU  HB3     3.42                
 36 PHE  HZ     98 LEU  QD1     5.35                
 36 PHE  HZ     99 LYS+ HN      4.82                
 36 PHE  HZ     99 LYS+ HA      5.16                
 36 PHE  HZ     99 LYS+ QB      6.38                
 36 PHE  HZ     99 LYS+ HG2     3.98                
 36 PHE  HZ     99 LYS+ HG3     5.50                
 36 PHE  HZ     99 LYS+ QD      6.38                
 37 GLY  HN     37 GLY  HA1     3.21                
 37 GLY  HN     37 GLY  HA2     3.33                
 37 GLY  HN     38 ARG+ HN      2.40                
 37 GLY  HN     38 ARG+ HB3     5.50                
 37 GLY  HN     58 THR  QG2     4.88                
 37 GLY  HN     59 TRP  HN      5.25                
 37 GLY  HN     59 TRP  HB2     5.50                
 37 GLY  HN     59 TRP  HB3     5.50                
 37 GLY  HA1    37 GLY  HA2     2.40                
 37 GLY  HA1    38 ARG+ HN      3.79                
 37 GLY  HA1    58 THR  QG2     4.05                
 37 GLY  HA2    38 ARG+ HN      3.48                
 37 GLY  HA2    58 THR  QG2     4.82                
 38 ARG+ HN     38 ARG+ HA      3.21                
 38 ARG+ HN     38 ARG+ HB2     3.52                
 38 ARG+ HN     38 ARG+ HB3     2.96                
 38 ARG+ HN     58 THR  QG2     5.10                
 38 ARG+ HN     59 TRP  HN      3.64                
 38 ARG+ HN     59 TRP  HD1     5.50                
 38 ARG+ HA     38 ARG+ HB2     3.05                
 38 ARG+ HA     38 ARG+ HB3     2.96                
 38 ARG+ HA     38 ARG+ HG2     4.04                
 38 ARG+ HA     38 ARG+ QD      6.38                
 38 ARG+ HA     39 LYS+ HN      2.68                
 38 ARG+ HA     58 THR  QG2     6.22                
 38 ARG+ HB2    38 ARG+ HB3     2.40                
 38 ARG+ HB2    38 ARG+ QD      5.60                
 38 ARG+ HB2    38 ARG+ HE      3.98                
 38 ARG+ HB2    39 LYS+ HN      4.04                
 38 ARG+ HB2    59 TRP  HD1     5.50                
 38 ARG+ HB3    38 ARG+ QD      4.73                
 38 ARG+ HB3    38 ARG+ HE      4.54                
 38 ARG+ HB3    39 LYS+ HN      3.33                
 38 ARG+ HB3    42 GLN  HB3     2.80                
 38 ARG+ HB3    59 TRP  HD1     3.98                
 38 ARG+ HG2    38 ARG+ HE      4.07                
 38 ARG+ HG2    39 LYS+ HN      4.54                
 38 ARG+ HG2    42 GLN  HE21    5.50                
 38 ARG+ HG2    59 TRP  HD1     4.97                
 38 ARG+ QD     38 ARG+ HE      5.14                
 38 ARG+ HE     59 TRP  HD1     5.50                
 39 LYS+ HN     39 LYS+ HA      3.95                
 39 LYS+ HN     39 LYS+ HB2     2.93                
 39 LYS+ HN     39 LYS+ HB3     3.73                
 39 LYS+ HN     39 LYS+ HG2     3.42                
 39 LYS+ HN     39 LYS+ HG3     4.17                
 39 LYS+ HN     40 THR  HN      5.50                
 39 LYS+ HN     42 GLN  HB3     4.69                
 39 LYS+ HN     42 GLN  HG2     4.72                
 39 LYS+ HN     42 GLN  HG3     4.82                
 39 LYS+ HN     58 THR  HA      4.66                
 39 LYS+ HN     58 THR  QG2     5.50                
 39 LYS+ HA     39 LYS+ HB2     3.55                
 39 LYS+ HA     39 LYS+ HB3     3.30                
 39 LYS+ HA     39 LYS+ HG2     5.13                
 39 LYS+ HA     40 THR  HN      3.27                
 39 LYS+ HA     58 THR  HA      3.36                
 39 LYS+ HB2    39 LYS+ HG2     2.40                
 39 LYS+ HB2    40 THR  HN      3.95                
 39 LYS+ HB2    40 THR  HA      4.54                
 39 LYS+ HB2    42 GLN  HE21    5.50                
 39 LYS+ HB2    42 GLN  HE22    5.50                
 39 LYS+ HB2    56 GLY  HA1     5.28                
 39 LYS+ HB3    39 LYS+ HG2     2.62                
 39 LYS+ HB3    40 THR  HN      3.30                
 39 LYS+ HB3    42 GLN  HE21    5.50                
 39 LYS+ HB3    42 GLN  HE22    5.50                
 39 LYS+ HG2    40 THR  HN      5.50                
 40 THR  HN     40 THR  HA      3.39                
 40 THR  HN     40 THR  HB      4.42                
 40 THR  HN     40 THR  QG2     3.64                
 40 THR  HN     55 LYS+ HB2     5.50                
 40 THR  HN     56 GLY  HA1     4.54                
 40 THR  HN     57 ILE  HG13    5.16                
 40 THR  HA     40 THR  HB      5.22                
 40 THR  HA     40 THR  QG2     3.61                
 40 THR  HA     41 GLY  HN      2.99                
 40 THR  HA     59 TRP  HD1     4.69                
 40 THR  HA     59 TRP  HE1     3.05                
 40 THR  HB     40 THR  QG2     3.49                
 40 THR  HB     41 GLY  HN      3.73                
 40 THR  HB     55 LYS+ HN      5.47                
 40 THR  HB     59 TRP  HE1     5.50                
 40 THR  HB     59 TRP  HZ2     5.50                
 40 THR  QG2    41 GLY  HN      6.53                
 40 THR  QG2    52 ASN  HD22    6.53                
 40 THR  QG2    55 LYS+ HN      6.53                
 40 THR  QG2    55 LYS+ HB2     4.36                
 40 THR  QG2    55 LYS+ HB3     4.26                
 40 THR  QG2    55 LYS+ HD2     4.30                
 40 THR  QG2    55 LYS+ HD3     4.30                
 40 THR  QG2    56 GLY  HN      5.57                
 40 THR  QG2    56 GLY  HA1     6.28                
 40 THR  QG2    57 ILE  HA      6.53                
 40 THR  QG2    57 ILE  QD1     6.04                
 40 THR  QG2    59 TRP  HE1     4.11                
 40 THR  QG2    59 TRP  HZ2     3.77                
 41 GLY  HN     41 GLY  HA1     3.17                
 41 GLY  HN     41 GLY  HA2     3.30                
 41 GLY  HN     43 ALA  HN      4.38                
 41 GLY  HN     59 TRP  HE1     5.50                
 41 GLY  HA1    41 GLY  HA2     2.46                
 41 GLY  HA1    48 TYR  QD      7.64                
 41 GLY  HA2    42 GLN  HN      4.17                
 41 GLY  HA2    48 TYR  QD      7.64                
 42 GLN  HN     42 GLN  HA      3.64                
 42 GLN  HN     42 GLN  HB2     3.33                
 42 GLN  HN     42 GLN  HB3     4.01                
 42 GLN  HN     42 GLN  HG2     4.79                
 42 GLN  HN     42 GLN  HG3     4.20                
 42 GLN  HN     43 ALA  HN      3.45                
 42 GLN  HN     48 TYR  QD      7.64                
 42 GLN  HA     42 GLN  HB2     3.30                
 42 GLN  HA     42 GLN  HB3     3.05                
 42 GLN  HA     42 GLN  HE21    5.50                
 42 GLN  HA     43 ALA  HN      4.17                
 42 GLN  HB2    42 GLN  HB3     2.40                
 42 GLN  HB3    43 ALA  HN      5.50                
 42 GLN  HG2    42 GLN  HE21    4.85                
 42 GLN  HG2    42 GLN  HE22    4.45                
 42 GLN  HG2    43 ALA  HN      5.50                
 42 GLN  HG3    42 GLN  HE21    3.95                
 42 GLN  HG3    42 GLN  HE22    4.26                
 42 GLN  HG3    43 ALA  HN      5.50                
 42 GLN  HE21   42 GLN  HE22    2.40                
 43 ALA  HN     43 ALA  HA      3.79                
 43 ALA  HN     43 ALA  QB      3.52                
 43 ALA  HN     44 PRO  HD2     5.50                
 43 ALA  HN     44 PRO  HD3     5.50                
 43 ALA  HN     48 TYR  QD      7.64                
 43 ALA  HA     43 ALA  QB      3.43                
 43 ALA  HA     44 PRO  HG2     5.34                
 43 ALA  HA     44 PRO  HG3     5.50                
 43 ALA  HA     44 PRO  HD2     3.45                
 43 ALA  HA     44 PRO  HD3     3.64                
 43 ALA  QB     44 PRO  HD3     5.81                
 43 ALA  QB     46 PHE  HN      6.16                
 43 ALA  QB     48 TYR  QD      8.36                
 44 PRO  HA     44 PRO  HB2     3.02                
 44 PRO  HA     44 PRO  HG2     5.50                
 44 PRO  HA     44 PRO  HG3     5.04                
 44 PRO  HA     44 PRO  HD3     5.50                
 44 PRO  HA     45 GLY  HN      5.38                
 44 PRO  HA     45 GLY  HA2     5.50                
 44 PRO  HB2    44 PRO  HG2     2.99                
 44 PRO  HB2    44 PRO  HG3     3.21                
 44 PRO  HB2    44 PRO  HD2     4.85                
 44 PRO  HB2    44 PRO  HD3     5.41                
 44 PRO  HG2    44 PRO  HG3     2.68                
 44 PRO  HG2    44 PRO  HD2     3.58                
 44 PRO  HG2    44 PRO  HD3     4.11                
 44 PRO  HG3    44 PRO  HD2     4.14                
 44 PRO  HG3    44 PRO  HD3     4.17                
 44 PRO  HD2    44 PRO  HD3     2.59                
 45 GLY  HN     45 GLY  HA1     4.57                
 45 GLY  HN     45 GLY  HA2     4.97                
 45 GLY  HA1    45 GLY  HA2     2.59                
 46 PHE  HN     46 PHE  HA      3.55                
 46 PHE  HN     46 PHE  HB2     3.08                
 46 PHE  HN     46 PHE  HB3     3.27                
 46 PHE  HA     46 PHE  HB2     3.58                
 46 PHE  HA     46 PHE  HB3     3.21                
 46 PHE  HA     47 THR  HN      3.02                
 46 PHE  HB2    46 PHE  HB3     2.40                
 46 PHE  HB2    46 PHE  QD      7.62                
 46 PHE  HB2    47 THR  HN      5.50                
 46 PHE  HB2    48 TYR  QD      7.64                
 46 PHE  HB2    48 TYR  QE      6.73                
 46 PHE  HB2   135 HEMC QM5     6.53                
 46 PHE  HB3    46 PHE  QD      7.62                
 46 PHE  HB3    47 THR  HN      5.50                
 46 PHE  HB3    48 TYR  QD      7.64                
 46 PHE  HB3   135 HEMC QM5     6.53                
 46 PHE  QD     46 PHE  QE      9.74                
 46 PHE  QD     46 PHE  HZ      7.62                
 46 PHE  QD     48 TYR  HN      7.53                
 46 PHE  QE     46 PHE  HZ      6.32                
 47 THR  HN     47 THR  HA      4.85                
 47 THR  HN     47 THR  HB      3.58                
 47 THR  HN     47 THR  QG2     6.53                
 47 THR  HN     48 TYR  QD      7.64                
 47 THR  HA     47 THR  HB      4.20                
 47 THR  HA     47 THR  QG2     3.61                
 47 THR  HA     48 TYR  HB2     5.50                
 47 THR  HA     48 TYR  QD      7.64                
 47 THR  HB     47 THR  QG2     3.43                
 47 THR  HB     48 TYR  HN      5.50                
 47 THR  QG2    48 TYR  HN      4.73                
 47 THR  QG2    48 TYR  HA      6.53                
 47 THR  QG2    48 TYR  QD      8.67                
 48 TYR  HN     48 TYR  HA      3.30                
 48 TYR  HN     48 TYR  HB2     3.14                
 48 TYR  HN     48 TYR  HB3     3.42                
 48 TYR  HN     48 TYR  QD      5.53                
 48 TYR  HN     49 THR  HN      5.50                
 48 TYR  HA     48 TYR  HB2     3.73                
 48 TYR  HA     48 TYR  HB3     3.27                
 48 TYR  HA     48 TYR  QD      6.12                
 48 TYR  HA     48 TYR  QE      7.29                
 48 TYR  HA     49 THR  HN      2.96                
 48 TYR  HA     49 THR  QG2     4.64                
 48 TYR  HB2    48 TYR  HB3     2.40                
 48 TYR  HB2    48 TYR  QD      5.50                
 48 TYR  HB2    49 THR  HN      4.54                
 48 TYR  HB2    52 ASN  HB2     5.50                
 48 TYR  HB2    52 ASN  HB3     5.50                
 48 TYR  HB3    48 TYR  QD      5.50                
 48 TYR  HB3    49 THR  HN      3.58                
 48 TYR  HB3    52 ASN  HB2     3.98                
 48 TYR  HB3    52 ASN  HB3     5.50                
 48 TYR  QD     48 TYR  QE      9.77                
 48 TYR  QD     49 THR  HN      7.64                
 48 TYR  QD     52 ASN  HB2     7.14                
 48 TYR  QD     52 ASN  HB3     7.64                
 48 TYR  QD     52 ASN  HD22    7.64                
 49 THR  HN     49 THR  HA      4.23                
 49 THR  HN     49 THR  HB      5.50                
 49 THR  HN     49 THR  QG2     3.99                
 49 THR  HN     50 ASP- HN      5.50                
 49 THR  HA     49 THR  HB      3.30                
 49 THR  HA     49 THR  QG2     3.74                
 49 THR  HA     50 ASP- HN      2.96                
 49 THR  HA     50 ASP- HB2     5.50                
 49 THR  HA     50 ASP- HB3     5.50                
 49 THR  HA     51 ALA  HN      5.38                
 49 THR  HB     49 THR  QG2     3.46                
 49 THR  HB     50 ASP- HN      3.33                
 49 THR  HB     51 ALA  HN      3.39                
 49 THR  HB     51 ALA  QB      3.99                
 49 THR  QG2    50 ASP- HN      4.95                
 50 ASP- HN     50 ASP- HA      3.67                
 50 ASP- HN     50 ASP- HB2     3.55                
 50 ASP- HN     50 ASP- HB3     3.89                
 50 ASP- HN     51 ALA  HN      3.55                
 50 ASP- HN     51 ALA  QB      5.38                
 50 ASP- HA     50 ASP- HB2     3.27                
 50 ASP- HA     50 ASP- HB3     3.17                
 50 ASP- HA     51 ALA  HN      4.23                
 50 ASP- HA     53 LYS+ HN      4.01                
 50 ASP- HA     53 LYS+ HB2     3.39                
 50 ASP- HA     53 LYS+ HG2     5.50                
 50 ASP- HA     54 ASN  HN      4.82                
 50 ASP- HB2    51 ALA  HN      3.70                
 50 ASP- HB2    51 ALA  HA      5.47                
 50 ASP- HB3    51 ALA  HN      4.01                
 50 ASP- HB3    51 ALA  HA      5.50                
 50 ASP- HB3    54 ASN  HD21    5.50                
 51 ALA  HN     51 ALA  HA      3.52                
 51 ALA  HN     51 ALA  QB      3.43                
 51 ALA  HN     52 ASN  HN      3.98                
 51 ALA  HN     54 ASN  HN      4.29                
 51 ALA  HA     51 ALA  QB      3.43                
 51 ALA  HA     52 ASN  HN      4.29                
 51 ALA  HA     53 LYS+ HN      5.50                
 51 ALA  HA     54 ASN  HN      3.89                
 51 ALA  HA     54 ASN  HB2     4.04                
 51 ALA  HA     54 ASN  HB3     4.60                
 51 ALA  HA     55 LYS+ HN      4.45                
 51 ALA  QB     52 ASN  HN      3.80                
 51 ALA  QB     53 LYS+ HN      6.53                
 51 ALA  QB     54 ASN  HN      6.53                
 51 ALA  QB     75 ILE  HA      5.50                
 51 ALA  QB     76 PRO  HD2     3.99                
 52 ASN  HN     52 ASN  HA      3.83                
 52 ASN  HN     52 ASN  HB2     3.30                
 52 ASN  HN     52 ASN  HB3     3.21                
 52 ASN  HN     53 LYS+ HN      3.64                
 52 ASN  HN     75 ILE  QG2     5.47                
 52 ASN  HA     52 ASN  HB2     3.61                
 52 ASN  HA     52 ASN  HB3     4.11                
 52 ASN  HA     53 LYS+ HN      4.63                
 52 ASN  HA     55 LYS+ HN      5.50                
 52 ASN  HA     75 ILE  QG2     4.23                
 52 ASN  HB2    52 ASN  HB3     2.40                
 52 ASN  HB2    52 ASN  HD21    4.29                
 52 ASN  HB2    52 ASN  HD22    5.50                
 52 ASN  HB2    53 LYS+ HN      4.04                
 52 ASN  HB3    52 ASN  HD21    4.97                
 52 ASN  HB3    52 ASN  HD22    5.50                
 52 ASN  HB3    53 LYS+ HN      3.70                
 52 ASN  HB3    53 LYS+ HA      4.85                
 52 ASN  HB3    53 LYS+ HB2     5.50                
 52 ASN  HD21   52 ASN  HD22    2.55                
 52 ASN  HD21   59 TRP  HZ2     5.50                
 52 ASN  HD22   59 TRP  HE1     5.50                
 53 LYS+ HN     53 LYS+ HA      3.36                
 53 LYS+ HN     53 LYS+ HB2     3.36                
 53 LYS+ HN     53 LYS+ HG2     3.98                
 53 LYS+ HN     54 ASN  HN      3.55                
 53 LYS+ HA     53 LYS+ HB2     3.08                
 53 LYS+ HA     53 LYS+ HG2     4.66                
 53 LYS+ HA     54 ASN  HN      4.97                
 53 LYS+ HB2    53 LYS+ HG2     3.27                
 53 LYS+ HB2    54 ASN  HN      3.45                
 53 LYS+ HG2    54 ASN  HN      5.50                
 54 ASN  HN     54 ASN  HA      4.20                
 54 ASN  HN     54 ASN  HB2     3.08                
 54 ASN  HN     54 ASN  HB3     3.64                
 54 ASN  HN     54 ASN  HD21    5.50                
 54 ASN  HN     55 LYS+ HN      3.67                
 54 ASN  HA     54 ASN  HB2     3.45                
 54 ASN  HA     54 ASN  HB3     3.11                
 54 ASN  HA     55 LYS+ HN      4.07                
 54 ASN  HB2    54 ASN  HD21    3.89                
 54 ASN  HB2    54 ASN  HD22    5.22                
 54 ASN  HB2    55 LYS+ HN      5.50                
 54 ASN  HB3    54 ASN  HD21    4.60                
 54 ASN  HB3    54 ASN  HD22    5.41                
 54 ASN  HB3    55 LYS+ HN      5.50                
 54 ASN  HD21   54 ASN  HD22    2.40                
 55 LYS+ HN     55 LYS+ HA      3.52                
 55 LYS+ HN     55 LYS+ HB2     3.27                
 55 LYS+ HN     55 LYS+ HB3     3.52                
 55 LYS+ HN     55 LYS+ HD2     5.47                
 55 LYS+ HN     55 LYS+ HD3     5.50                
 55 LYS+ HN     56 GLY  HN      3.05                
 55 LYS+ HA     55 LYS+ HB2     3.08                
 55 LYS+ HA     55 LYS+ HB3     3.24                
 55 LYS+ HA     55 LYS+ HG2     3.21                
 55 LYS+ HA     55 LYS+ HG3     5.00                
 55 LYS+ HA     55 LYS+ HD2     4.32                
 55 LYS+ HA     55 LYS+ HD3     4.26                
 55 LYS+ HA     55 LYS+ QE      6.38                
 55 LYS+ HA     56 GLY  HN      4.20                
 55 LYS+ HA     56 GLY  HA1     4.94                
 55 LYS+ HB2    56 GLY  HN      5.50                
 55 LYS+ HB2    75 ILE  HA      5.50                
 55 LYS+ HB3    56 GLY  HN      5.50                
 55 LYS+ HB3    75 ILE  HA      5.50                
 55 LYS+ HG2    55 LYS+ QE      5.23                
 55 LYS+ HG2    75 ILE  HA      5.50                
 55 LYS+ HG3    55 LYS+ QE      6.16                
 55 LYS+ HG3    57 ILE  HN      5.50                
 55 LYS+ HD2    55 LYS+ QE      6.38                
 55 LYS+ HD3    55 LYS+ QE      5.57                
 55 LYS+ HD3    75 ILE  HA      5.50                
 55 LYS+ QE     57 ILE  HG13    5.42                
 55 LYS+ QE     74 TYR  QE      8.51                
 56 GLY  HN     56 GLY  HA1     3.14                
 56 GLY  HN     57 ILE  HG12    5.50                
 56 GLY  HN     57 ILE  HG13    5.50                
 56 GLY  HA1    57 ILE  HN      3.95                
 56 GLY  HA1    57 ILE  HG13    5.50                
 57 ILE  HN     57 ILE  HA      4.35                
 57 ILE  HN     57 ILE  HB      4.26                
 57 ILE  HN     57 ILE  HG12    4.54                
 57 ILE  HN     57 ILE  HG13    3.11                
 57 ILE  HA     57 ILE  HB      3.05                
 57 ILE  HA     57 ILE  HG12    5.50                
 57 ILE  HA     57 ILE  HG13    4.17                
 57 ILE  HA     57 ILE  QD1     6.53                
 57 ILE  HA     58 THR  HN      2.83                
 57 ILE  HB     57 ILE  HG13    3.39                
 57 ILE  HB     57 ILE  QD1     4.23                
 57 ILE  HB     58 THR  HN      2.77                
 57 ILE  HB     74 TYR  QD      7.64                
 57 ILE  HB     74 TYR  QE      7.63                
 57 ILE  HG12   57 ILE  HG13    2.49                
 57 ILE  HG12   57 ILE  QD1     4.08                
 57 ILE  HG12   58 THR  HN      5.50                
 57 ILE  HG12   74 TYR  QE      6.58                
 57 ILE  HG13   57 ILE  QD1     3.74                
 57 ILE  HG13   58 THR  HN      3.70                
 57 ILE  HG13   63 THR  HB      5.50                
 57 ILE  HG13   74 TYR  QE      7.07                
 57 ILE  QD1    58 THR  HN      6.06                
 57 ILE  QD1    59 TRP  HE3     6.12                
 57 ILE  QD1    59 TRP  HZ3     6.53                
 57 ILE  QD1    63 THR  HB      4.26                
 57 ILE  QD1    63 THR  QG2     6.56                
 57 ILE  QD1    74 TYR  QD      8.67                
 57 ILE  QD1    74 TYR  QE      6.86                
 58 THR  HN     58 THR  HA      3.61                
 58 THR  HN     58 THR  HB      3.24                
 58 THR  HN     58 THR  QG2     5.01                
 58 THR  HA     58 THR  HB      3.48                
 58 THR  HA     58 THR  QG2     3.43                
 58 THR  HA     59 TRP  HN      2.74                
 58 THR  HB     58 THR  QG2     3.43                
 58 THR  HB     59 TRP  HN      4.01                
 58 THR  QG2    59 TRP  HN      3.83                
 59 TRP  HN     59 TRP  HA      3.67                
 59 TRP  HN     59 TRP  HB2     3.27                
 59 TRP  HN     59 TRP  HB3     3.79                
 59 TRP  HN     59 TRP  HD1     4.17                
 59 TRP  HN     59 TRP  HE3     5.50                
 59 TRP  HN     60 LYS+ HN      4.72                
 59 TRP  HA     59 TRP  HB2     3.61                
 59 TRP  HA     59 TRP  HB3     3.21                
 59 TRP  HA     59 TRP  HE3     2.77                
 59 TRP  HA     60 LYS+ HN      2.74                
 59 TRP  HA     63 THR  QG2     3.89                
 59 TRP  HB2    59 TRP  HB3     2.40                
 59 TRP  HB2    59 TRP  HD1     3.48                
 59 TRP  HB2    59 TRP  HE3     5.13                
 59 TRP  HB2    59 TRP  HE1     5.50                
 59 TRP  HB2    60 LYS+ HN      5.50                
 59 TRP  HB2    64 LEU  QD1     6.53                
 59 TRP  HB2    64 LEU  QD2     6.53                
 59 TRP  HB3    59 TRP  HD1     4.35                
 59 TRP  HB3    59 TRP  HE3     4.11                
 59 TRP  HB3    59 TRP  HE1     5.50                
 59 TRP  HB3    60 LYS+ HN      4.11                
 59 TRP  HB3    64 LEU  QD1     5.63                
 59 TRP  HB3    64 LEU  QD2     5.78                
 59 TRP  HD1    59 TRP  HE1     2.99                
 59 TRP  HE3    59 TRP  HZ3     2.93                
 59 TRP  HE3    59 TRP  HZ2     5.50                
 59 TRP  HE3    59 TRP  HH2     5.47                
 59 TRP  HE3    60 LYS+ HN      3.45                
 59 TRP  HE3    64 LEU  HA      4.63                
 59 TRP  HE3    64 LEU  QD1     5.41                
 59 TRP  HE3    64 LEU  QD2     4.23                
 59 TRP  HE3    67 TYR  HB2     5.50                
 59 TRP  HE3    67 TYR  HB3     5.50                
 59 TRP  HE1    59 TRP  HZ2     3.52                
 59 TRP  HE1   135 HEMC HAP72   5.50                
 59 TRP  HE1   135 HEMC HBP74   5.50                
 59 TRP  HZ3    59 TRP  HZ2     3.92                
 59 TRP  HZ3    59 TRP  HH2     2.40                
 59 TRP  HZ3    63 THR  HB      4.07                
 59 TRP  HZ3    63 THR  QG2     6.53                
 59 TRP  HZ3    64 LEU  HN      5.50                
 59 TRP  HZ3    64 LEU  HA      3.27                
 59 TRP  HZ3    64 LEU  HG      5.50                
 59 TRP  HZ3    64 LEU  QD1     6.53                
 59 TRP  HZ3    64 LEU  QD2     5.01                
 59 TRP  HZ3    67 TYR  HN      5.47                
 59 TRP  HZ3    67 TYR  HB2     3.17                
 59 TRP  HZ3    67 TYR  HB3     3.48                
 59 TRP  HZ3    67 TYR  QD      7.42                
 59 TRP  HZ3    74 TYR  QD      7.64                
 59 TRP  HZ2    59 TRP  HH2     2.71                
 59 TRP  HZ2   135 HEMC HAP71   4.66                
 59 TRP  HZ2   135 HEMC HAP72   4.29                
 59 TRP  HZ2   135 HEMC HBP74   5.50                
 59 TRP  HZ2   135 HEMC QM8     4.26                
 59 TRP  HH2    67 TYR  QD      7.64                
 59 TRP  HH2    74 TYR  QD      7.08                
 59 TRP  HH2   135 HEMC QM8     4.51                
 60 LYS+ HN     60 LYS+ HA      3.39                
 60 LYS+ HN     60 LYS+ HB2     4.14                
 60 LYS+ HN     60 LYS+ HB3     4.51                
 60 LYS+ HN     60 LYS+ HG2     4.51                
 60 LYS+ HN     60 LYS+ HG3     4.85                
 60 LYS+ HN     63 THR  HN      3.79                
 60 LYS+ HN     64 LEU  HN      4.11                
 60 LYS+ HN     64 LEU  QD1     6.53                
 60 LYS+ HN     64 LEU  QD2     6.53                
 60 LYS+ HA     60 LYS+ HB2     3.89                
 60 LYS+ HA     60 LYS+ HB3     3.08                
 60 LYS+ HA     60 LYS+ HG2     3.89                
 60 LYS+ HA     61 GLU- HN      4.42                
 60 LYS+ HA     62 GLU- HN      5.50                
 60 LYS+ HA     64 LEU  QD1     6.53                
 60 LYS+ HB2    60 LYS+ HG2     3.52                
 60 LYS+ HB2    61 GLU- HN      5.44                
 60 LYS+ HB2    62 GLU- HN      4.42                
 60 LYS+ HB3    60 LYS+ HG2     3.33                
 60 LYS+ HB3    61 GLU- HN      4.04                
 60 LYS+ HB3    62 GLU- HN      4.91                
 60 LYS+ HG2    62 GLU- HN      5.50                
 60 LYS+ HG2    63 THR  HN      4.23                
 60 LYS+ HG3    62 GLU- HN      3.79                
 60 LYS+ HG3    63 THR  HN      3.52                
 61 GLU- HN     61 GLU- HA      4.17                
 61 GLU- HN     61 GLU- HB2     4.04                
 61 GLU- HN     61 GLU- HB3     4.17                
 61 GLU- HN     62 GLU- HN      4.94                
 61 GLU- HA     61 GLU- HB2     3.27                
 61 GLU- HA     61 GLU- HB3     3.21                
 61 GLU- HA     61 GLU- QG      6.38                
 61 GLU- HA     62 GLU- HN      4.48                
 61 GLU- HA     62 GLU- HA      5.16                
 61 GLU- HA     64 LEU  HN      4.66                
 61 GLU- HA     64 LEU  HB2     3.67                
 61 GLU- HA     64 LEU  HB3     4.88                
 61 GLU- HA     64 LEU  QD1     4.79                
 61 GLU- HA     65 MET  HN      5.28                
 61 GLU- HA     95 ILE  QG2     3.89                
 61 GLU- HA     95 ILE  QD1     4.54                
 61 GLU- HB2    61 GLU- QG      4.42                
 61 GLU- HB2    95 ILE  QG2     4.67                
 61 GLU- HB3    61 GLU- QG      3.28                
 61 GLU- HB3    95 ILE  QG2     3.86                
 61 GLU- QG     95 ILE  QG2     5.98                
 62 GLU- HN     62 GLU- HA      3.17                
 62 GLU- HN     62 GLU- HB2     2.62                
 62 GLU- HN     62 GLU- HG2     4.29                
 62 GLU- HN     62 GLU- HG3     4.38                
 62 GLU- HN     63 THR  HN      3.39                
 62 GLU- HN     63 THR  QG2     6.53                
 62 GLU- HN     64 LEU  HN      5.50                
 62 GLU- HN     65 MET  HN      5.50                
 62 GLU- HA     62 GLU- HB2     2.68                
 62 GLU- HA     62 GLU- HG2     4.23                
 62 GLU- HA     62 GLU- HG3     3.64                
 62 GLU- HA     63 THR  HN      4.01                
 62 GLU- HA     65 MET  HN      3.95                
 62 GLU- HA     65 MET  HB2     3.33                
 62 GLU- HA     65 MET  HB3     3.36                
 62 GLU- HA     66 GLU- HN      5.50                
 62 GLU- HB2    62 GLU- HG2     3.27                
 62 GLU- HB2    63 THR  HN      3.36                
 62 GLU- HB2    64 LEU  HN      5.50                
 62 GLU- HG2    63 THR  HN      5.50                
 62 GLU- HG3    63 THR  HN      5.50                
 63 THR  HN     63 THR  HA      3.70                
 63 THR  HN     63 THR  HB      3.89                
 63 THR  HN     63 THR  QG2     3.61                
 63 THR  HN     64 LEU  HN      3.17                
 63 THR  HN     65 MET  HN      4.76                
 63 THR  HA     63 THR  HB      4.23                
 63 THR  HA     63 THR  QG2     3.52                
 63 THR  HA     64 LEU  HN      5.50                
 63 THR  HA     66 GLU- HN      4.29                
 63 THR  HA     66 GLU- HB2     3.55                
 63 THR  HA     74 TYR  QE      7.63                
 63 THR  HB     63 THR  QG2     3.43                
 63 THR  QG2    74 TYR  QD      8.67                
 63 THR  QG2    74 TYR  QE      7.82                
 64 LEU  HN     64 LEU  HA      3.42                
 64 LEU  HN     64 LEU  HB2     2.86                
 64 LEU  HN     64 LEU  HB3     3.64                
 64 LEU  HN     64 LEU  HG      3.27                
 64 LEU  HN     64 LEU  QD1     5.54                
 64 LEU  HN     64 LEU  QD2     5.91                
 64 LEU  HN     65 MET  HN      3.24                
 64 LEU  HN     66 GLU- HN      5.50                
 64 LEU  HN     95 ILE  QD1     5.44                
 64 LEU  HA     64 LEU  HB2     3.55                
 64 LEU  HA     64 LEU  HB3     3.39                
 64 LEU  HA     64 LEU  HG      4.17                
 64 LEU  HA     64 LEU  QD1     5.19                
 64 LEU  HA     64 LEU  QD2     3.74                
 64 LEU  HA     67 TYR  HN      3.70                
 64 LEU  HA     67 TYR  HB2     3.89                
 64 LEU  HA     67 TYR  HB3     3.42                
 64 LEU  HA     68 LEU  HN      3.45                
 64 LEU  HB2    64 LEU  HB3     2.46                
 64 LEU  HB2    64 LEU  HG      3.24                
 64 LEU  HB2    64 LEU  QD1     3.58                
 64 LEU  HB2    64 LEU  QD2     4.23                
 64 LEU  HB2    65 MET  HN      3.64                
 64 LEU  HB2    68 LEU  HN      4.94                
 64 LEU  HB3    64 LEU  HG      4.11                
 64 LEU  HB3    64 LEU  QD1     4.14                
 64 LEU  HB3    64 LEU  QD2     3.99                
 64 LEU  HB3    65 MET  HN      3.95                
 64 LEU  HB3    68 LEU  QD1     4.79                
 64 LEU  HG     64 LEU  QD1     3.49                
 64 LEU  HG     64 LEU  QD2     3.55                
 64 LEU  QD1    64 LEU  QD2     4.98                
 64 LEU  QD1    65 MET  HN      6.53                
 64 LEU  QD1    95 ILE  HA      6.53                
 64 LEU  QD1    95 ILE  HB      6.53                
 64 LEU  QD1    95 ILE  QG2     6.41                
 64 LEU  QD1    95 ILE  HG12    4.79                
 64 LEU  QD1    95 ILE  QD1     6.69                
 64 LEU  QD2    65 MET  HN      6.53                
 64 LEU  QD2    67 TYR  HB2     6.53                
 64 LEU  QD2    67 TYR  HB3     6.53                
 64 LEU  QD2    67 TYR  QD      8.67                
 64 LEU  QD2    68 LEU  HG      5.94                
 64 LEU  QD2    95 ILE  HA      6.53                
 64 LEU  QD2    95 ILE  QG2     7.56                
 64 LEU  QD2    95 ILE  HG12    5.69                
 64 LEU  QD2    95 ILE  QD1     7.09                
 64 LEU  QD2    98 LEU  QD1     6.32                
 64 LEU  QD2   135 HEMC QM8     6.16                
 64 LEU  QD2   135 HEMC QM1     7.56                
 65 MET  HN     65 MET  HA      3.21                
 65 MET  HN     65 MET  HB2     2.80                
 65 MET  HN     65 MET  HB3     3.39                
 65 MET  HN     65 MET  HG2     4.51                
 65 MET  HN     65 MET  HG3     3.36                
 65 MET  HN     66 GLU- HN      3.48                
 65 MET  HN     67 TYR  HN      4.32                
 65 MET  HN     68 LEU  QD1     6.53                
 65 MET  HN     95 ILE  QG2     6.53                
 65 MET  HN     95 ILE  QD1     4.23                
 65 MET  HA     65 MET  HB2     3.36                
 65 MET  HA     65 MET  HB3     3.42                
 65 MET  HA     65 MET  HG2     4.72                
 65 MET  HA     65 MET  HG3     4.69                
 65 MET  HA     66 GLU- HN      4.60                
 65 MET  HA     68 LEU  HB2     3.79                
 65 MET  HA     68 LEU  HG      5.50                
 65 MET  HA     68 LEU  QD1     5.23                
 65 MET  HA     91 ARG+ HB2     5.22                
 65 MET  HA     91 ARG+ HB3     4.69                
 65 MET  HA     91 ARG+ HG2     5.50                
 65 MET  HA     95 ILE  QD1     3.52                
 65 MET  HB2    66 GLU- HN      3.86                
 65 MET  HB2    95 ILE  QD1     3.95                
 65 MET  HB3    66 GLU- HN      3.73                
 65 MET  HG2    91 ARG+ HB2     3.89                
 65 MET  HG2    91 ARG+ HB3     3.67                
 65 MET  HG2    95 ILE  QD1     5.01                
 65 MET  HG3    91 ARG+ HB2     4.01                
 65 MET  HG3    91 ARG+ HB3     4.29                
 65 MET  HG3    95 ILE  QD1     4.30                
 66 GLU- HN     66 GLU- HA      3.61                
 66 GLU- HN     66 GLU- HB2     2.90                
 66 GLU- HN     66 GLU- HG2     5.50                
 66 GLU- HN     66 GLU- HG3     5.16                
 66 GLU- HN     67 TYR  HN      3.36                
 66 GLU- HA     66 GLU- HB2     2.65                
 66 GLU- HA     66 GLU- HG2     4.29                
 66 GLU- HA     66 GLU- HG3     4.07                
 66 GLU- HA     67 TYR  HN      3.73                
 66 GLU- HB2    66 GLU- HG3     4.07                
 66 GLU- HB2    67 TYR  HN      2.71                
 66 GLU- HB2    74 TYR  QD      6.40                
 66 GLU- HB2    74 TYR  QE      5.77                
 66 GLU- HG2    66 GLU- HG3     2.40                
 66 GLU- HG2    74 TYR  QD      7.45                
 66 GLU- HG2    74 TYR  QE      6.73                
 66 GLU- HG3    74 TYR  QD      7.64                
 66 GLU- HG3    74 TYR  QE      7.63                
 67 TYR  HN     67 TYR  HA      3.55                
 67 TYR  HN     67 TYR  HB2     3.08                
 67 TYR  HN     67 TYR  HB3     3.08                
 67 TYR  HN     69 GLU- HN      3.48                
 67 TYR  HN     74 TYR  QD      7.64                
 67 TYR  HN     74 TYR  QE      7.63                
 67 TYR  HA     67 TYR  HB2     3.48                
 67 TYR  HA     67 TYR  HB3     3.70                
 67 TYR  HA     67 TYR  QD      6.86                
 67 TYR  HA     71 PRO  HA      4.69                
 67 TYR  HA     74 TYR  QD      6.90                
 67 TYR  HB2    67 TYR  HB3     2.52                
 67 TYR  HB2    67 TYR  QD      7.14                
 67 TYR  HB2    68 LEU  HN      4.85                
 67 TYR  HB2    74 TYR  QD      6.99                
 67 TYR  HB2    74 TYR  QE      7.63                
 67 TYR  HB3    67 TYR  QD      6.00                
 67 TYR  HB3    68 LEU  HN      3.30                
 67 TYR  HB3    74 TYR  QD      7.64                
 67 TYR  HB3    74 TYR  QE      7.63                
 67 TYR  QD     67 TYR  QE      9.49                
 67 TYR  QD     68 LEU  QD1     8.67                
 67 TYR  QD     68 LEU  QD2     7.80                
 67 TYR  QD     71 PRO  HA      7.39                
 67 TYR  QD     74 TYR  HB2     7.55                
 67 TYR  QD     74 TYR  HB3     7.64                
 67 TYR  QD     74 TYR  QD      8.57                
 67 TYR  QD     74 TYR  QE      9.77                
 67 TYR  QD    135 HEMC QM8     8.67                
 67 TYR  QE    135 HEMC QM8     7.39                
 68 LEU  HN     68 LEU  HA      3.55                
 68 LEU  HN     68 LEU  HB2     2.99                
 68 LEU  HN     68 LEU  HB3     3.55                
 68 LEU  HN     68 LEU  HG      3.08                
 68 LEU  HN     68 LEU  QD1     5.35                
 68 LEU  HN     68 LEU  QD2     5.66                
 68 LEU  HN     69 GLU- HN      2.99                
 68 LEU  HN     74 TYR  QD      7.64                
 68 LEU  HA     68 LEU  HB2     3.45                
 68 LEU  HA     68 LEU  HB3     3.48                
 68 LEU  HA     68 LEU  HG      4.11                
 68 LEU  HA     68 LEU  QD1     6.31                
 68 LEU  HA     68 LEU  QD2     3.77                
 68 LEU  HA     69 GLU- HN      3.95                
 68 LEU  HA     82 PHE  QD      7.62                
 68 LEU  HA     82 PHE  QE      7.28                
 68 LEU  HA     85 ILE  QD1     6.53                
 68 LEU  HB2    68 LEU  HG      3.24                
 68 LEU  HB2    68 LEU  QD1     3.71                
 68 LEU  HB2    68 LEU  QD2     4.67                
 68 LEU  HB2    69 GLU- HN      4.04                
 68 LEU  HB3    68 LEU  QD1     3.71                
 68 LEU  HB3    68 LEU  QD2     4.05                
 68 LEU  HB3    69 GLU- HN      5.50                
 68 LEU  HG     68 LEU  QD1     3.43                
 68 LEU  HG     68 LEU  QD2     3.52                
 68 LEU  HG     69 GLU- HN      5.50                
 68 LEU  QD1    68 LEU  QD2     5.32                
 68 LEU  QD1    85 ILE  HG13    4.64                
 68 LEU  QD1    91 ARG+ HA      4.57                
 68 LEU  QD1    91 ARG+ HG2     4.11                
 68 LEU  QD1    94 LEU  HB2     4.45                
 68 LEU  QD1    95 ILE  HG12    3.99                
 68 LEU  QD1    95 ILE  HG13    3.71                
 68 LEU  QD1    95 ILE  QD1     5.42                
 68 LEU  QD1   135 HEMC QM1     6.66                
 68 LEU  QD2    82 PHE  QD      8.65                
 68 LEU  QD2    82 PHE  QE      8.53                
 68 LEU  QD2    85 ILE  QG2     7.56                
 68 LEU  QD2    85 ILE  HG13    6.53                
 68 LEU  QD2    85 ILE  QD1     7.34                
 68 LEU  QD2    94 LEU  QD2     6.19                
 68 LEU  QD2   135 HEMC QM1     5.57                
 68 LEU  QD2   135 HEMC QT2     7.56                
 69 GLU- HN     69 GLU- HA      3.27                
 69 GLU- HN     69 GLU- HB2     3.02                
 69 GLU- HN     69 GLU- HB3     2.93                
 69 GLU- HN     69 GLU- HG2     3.73                
 69 GLU- HA     69 GLU- HB3     3.21                
 69 GLU- HA     69 GLU- HG2     2.80                
 69 GLU- HB2    69 GLU- HB3     2.40                
 69 GLU- HB2    69 GLU- HG2     2.96                
 69 GLU- HB2    70 ASN  HB2     5.22                
 69 GLU- HB2    70 ASN  HB3     5.50                
 69 GLU- HG2    70 ASN  HB3     4.88                
 70 ASN  HN     70 ASN  HA      3.33                
 70 ASN  HN     70 ASN  HB2     4.48                
 70 ASN  HN     70 ASN  HB3     3.55                
 70 ASN  HN     71 PRO  HD2     5.50                
 70 ASN  HN     71 PRO  HD3     5.07                
 70 ASN  HA     70 ASN  HB2     3.30                
 70 ASN  HA     70 ASN  HB3     3.11                
 70 ASN  HA     70 ASN  HD21    5.50                
 70 ASN  HA     70 ASN  HD22    5.50                
 70 ASN  HA     71 PRO  HA      5.13                
 70 ASN  HA     71 PRO  HD2     3.58                
 70 ASN  HA     71 PRO  HD3     4.11                
 70 ASN  HA     72 LYS+ HN      3.48                
 70 ASN  HA     84 GLY  HA1     5.50                
 70 ASN  HA     84 GLY  HA2     3.95                
 70 ASN  HB2    70 ASN  HB3     2.40                
 70 ASN  HB2    70 ASN  HD21    4.29                
 70 ASN  HB2    70 ASN  HD22    5.50                
 70 ASN  HB2    73 LYS+ HN      5.50                
 70 ASN  HB2    73 LYS+ HB2     3.02                
 70 ASN  HB2    73 LYS+ HB3     5.50                
 70 ASN  HB3    70 ASN  HD21    3.67                
 70 ASN  HB3    70 ASN  HD22    3.61                
 70 ASN  HB3    73 LYS+ HB2     5.50                
 70 ASN  HD21   70 ASN  HD22    2.40                
 70 ASN  HD22   73 LYS+ HB2     4.48                
 70 ASN  HD22   73 LYS+ HB3     5.50                
 71 PRO  HA     71 PRO  QB      6.38                
 71 PRO  HA     71 PRO  HD2     5.50                
 71 PRO  HA     71 PRO  HD3     5.50                
 71 PRO  HA     72 LYS+ HN      4.85                
 71 PRO  HA     74 TYR  HN      5.50                
 71 PRO  HA     74 TYR  HB2     5.50                
 71 PRO  HA     74 TYR  HB2     3.50                
 71 PRO  HA     74 TYR  HB3     5.50                
 71 PRO  HA     74 TYR  HB3     4.00                
 71 PRO  HA     74 TYR  QD      7.64                
 71 PRO  HA     78 THR  HB      6.00                
 71 PRO  QB     72 LYS+ HN      5.51                
 71 PRO  QB     78 THR  HB      6.00                
 71 PRO  HD2    71 PRO  HD3     3.61                
 71 PRO  HD2    72 LYS+ HN      5.04                
 71 PRO  HD3    72 LYS+ HN      5.50                
 71 PRO  HD3    72 LYS+ QG      6.38                
 72 LYS+ HN     72 LYS+ HA      3.17                
 72 LYS+ HN     72 LYS+ HB2     3.48                
 72 LYS+ HN     72 LYS+ HB3     3.33                
 72 LYS+ HN     72 LYS+ QG      4.98                
 72 LYS+ HN     73 LYS+ HN      3.39                
 72 LYS+ HN     77 GLY  HN      5.50                
 72 LYS+ HA     72 LYS+ HB2     3.08                
 72 LYS+ HA     72 LYS+ HB3     3.11                
 72 LYS+ HA     72 LYS+ QG      4.14                
 72 LYS+ HA     73 LYS+ HN      4.01                
 72 LYS+ HA     75 ILE  HN      3.86                
 72 LYS+ HA     78 THR  QG2     4.76                
 72 LYS+ HB2    72 LYS+ HB3     2.40                
 72 LYS+ HB2    72 LYS+ QG      3.65                
 72 LYS+ HB2    73 LYS+ HN      4.38                
 72 LYS+ HB2    76 PRO  HA      3.05                
 72 LYS+ HB2    77 GLY  HN      5.50                
 72 LYS+ HB3    72 LYS+ QG      4.08                
 72 LYS+ HB3    72 LYS+ QD      6.38                
 72 LYS+ HB3    73 LYS+ HN      4.17                
 72 LYS+ QG     72 LYS+ QD      5.64                
 72 LYS+ QG     73 LYS+ HN      6.38                
 73 LYS+ HN     73 LYS+ HA      3.52                
 73 LYS+ HN     73 LYS+ HB2     2.83                
 73 LYS+ HN     74 TYR  HN      3.30                
 73 LYS+ HN     75 ILE  HN      5.50                
 73 LYS+ HA     73 LYS+ HB2     2.80                
 73 LYS+ HA     73 LYS+ HB3     5.50                
 73 LYS+ HA     74 TYR  HN      5.50                
 73 LYS+ HA     76 PRO  HG2     5.50                
 74 TYR  HN     74 TYR  HA      4.11                
 74 TYR  HN     74 TYR  HB2     3.39                
 74 TYR  HN     74 TYR  HB3     3.27                
 74 TYR  HN     74 TYR  QD      7.64                
 74 TYR  HN     75 ILE  HN      3.11                
 74 TYR  HA     74 TYR  HB2     5.50                
 74 TYR  HA     74 TYR  HB3     3.70                
 74 TYR  HA     74 TYR  QD      5.59                
 74 TYR  HA     74 TYR  QE      7.63                
 74 TYR  HA     75 ILE  HN      4.38                
 74 TYR  HB2    74 TYR  QD      5.69                
 74 TYR  HB2    74 TYR  QE      7.63                
 74 TYR  HB2    75 ILE  HN      3.67                
 74 TYR  HB3    74 TYR  QD      5.97                
 74 TYR  HB3    74 TYR  QE      7.63                
 74 TYR  QD     74 TYR  QE      7.54                
 74 TYR  QD     75 ILE  HN      7.64                
 74 TYR  QD     75 ILE  QD1     6.40                
 74 TYR  QE     75 ILE  QD1     8.66                
 75 ILE  HN     75 ILE  HA      3.48                
 75 ILE  HN     75 ILE  HB      3.52                
 75 ILE  HN     75 ILE  QG2     6.53                
 75 ILE  HN     75 ILE  QD1     5.01                
 75 ILE  HN     76 PRO  HD2     4.48                
 75 ILE  HN     76 PRO  HD3     5.50                
 75 ILE  HA     75 ILE  HB      3.89                
 75 ILE  HA     75 ILE  QG2     3.86                
 75 ILE  HA     75 ILE  QD1     6.19                
 75 ILE  HA     76 PRO  HG2     4.82                
 75 ILE  HA     76 PRO  HD2     3.92                
 75 ILE  HA     76 PRO  HD3     3.52                
 75 ILE  HA     78 THR  QG2     5.26                
 75 ILE  HB     75 ILE  QG2     4.23                
 76 PRO  HA     76 PRO  HG2     3.86                
 76 PRO  HA     76 PRO  HD2     5.50                
 76 PRO  HA     76 PRO  HD3     5.50                
 76 PRO  HA     77 GLY  HN      3.21                
 76 PRO  HG2    76 PRO  HD3     3.02                
 76 PRO  HD2    76 PRO  HD3     2.77                
 77 GLY  HN     77 GLY  HA1     5.50                
 77 GLY  HN     77 GLY  HA2     4.14                
 77 GLY  HA1    77 GLY  HA2     3.02                
 78 THR  HA     78 THR  HB      5.50                
 79 LYS+ HA     79 LYS+ HB2     3.14                
 79 LYS+ HA     79 LYS+ HG2     4.23                
 79 LYS+ HA     80 MET  HA      5.50                
 79 LYS+ HA     80 MET  HB2     5.50                
 79 LYS+ HB2    79 LYS+ QE      6.38                
 79 LYS+ HB2   135 HEMC QM5     6.53                
 79 LYS+ HG2    79 LYS+ QE      6.07                
 79 LYS+ HG2   135 HEMC QM5     6.53                
 80 MET  HA     80 MET  HB2     5.50                
 81 ILE  HA     82 PHE  HN      3.61                
 82 PHE  HN     82 PHE  HA      4.35                
 82 PHE  HN     82 PHE  HB2     3.73                
 82 PHE  HN     82 PHE  HB3     4.07                
 82 PHE  HN     82 PHE  QD      7.62                
 82 PHE  HB2    82 PHE  HB3     4.38                
 82 PHE  HB2    82 PHE  QD      7.62                
 82 PHE  HB2    82 PHE  QE      7.62                
 82 PHE  HB2   135 HEMC QM3     6.53                
 82 PHE  HB3    82 PHE  QD      7.62                
 82 PHE  HB3    82 PHE  QE      7.62                
 82 PHE  HB3    83 ALA  HN      4.17                
 82 PHE  HB3    84 GLY  HN      3.95                
 82 PHE  QD     82 PHE  QE      8.47                
 82 PHE  QD     84 GLY  HA1     7.62                
 82 PHE  QD     84 GLY  HA2     7.62                
 82 PHE  QD     85 ILE  HG12    7.31                
 82 PHE  QD     85 ILE  HG13    7.62                
 82 PHE  QD     85 ILE  QD1     8.49                
 82 PHE  QD    135 HEMC QT2     8.40                
 82 PHE  QD    135 HEMC QM3     8.65                
 82 PHE  QE     84 GLY  HA2     7.62                
 82 PHE  QE     85 ILE  HG12    7.59                
 82 PHE  QE     85 ILE  HG13    7.62                
 82 PHE  QE     85 ILE  QD1     8.49                
 82 PHE  QE    135 HEMC QT2     7.84                
 83 ALA  HN     83 ALA  HA      5.50                
 83 ALA  HN     83 ALA  QB      3.99                
 83 ALA  HA     83 ALA  QB      3.43                
 83 ALA  HA     84 GLY  HN      3.79                
 83 ALA  QB     84 GLY  HN      4.64                
 84 GLY  HN     84 GLY  HA1     3.58                
 84 GLY  HN     84 GLY  HA2     4.11                
 84 GLY  HA1    84 GLY  HA2     2.49                
 84 GLY  HA1    85 ILE  HN      3.27                
 84 GLY  HA2    85 ILE  HN      3.24                
 85 ILE  HN     85 ILE  HA      3.21                
 85 ILE  HN     85 ILE  HB      3.17                
 85 ILE  HN     85 ILE  QG2     5.41                
 85 ILE  HN     85 ILE  HG12    4.54                
 85 ILE  HN     85 ILE  HG13    5.50                
 85 ILE  HN     85 ILE  QD1     6.43                
 85 ILE  HA     85 ILE  HB      3.48                
 85 ILE  HA     85 ILE  QG2     3.74                
 85 ILE  HA     85 ILE  HG12    5.41                
 85 ILE  HA     85 ILE  HG13    5.50                
 85 ILE  HA     85 ILE  QD1     5.16                
 85 ILE  HA     86 LYS+ HN      3.61                
 85 ILE  HA     91 ARG+ HG3     4.69                
 85 ILE  HB     85 ILE  QG2     3.71                
 85 ILE  QG2    85 ILE  QD1     5.32                
 85 ILE  QG2    87 LYS+ HN      3.95                
 85 ILE  QG2    90 GLU- HN      4.45                
 85 ILE  QG2    90 GLU- HB2     3.49                
 85 ILE  QG2    90 GLU- HB3     3.77                
 85 ILE  QG2    91 ARG+ HN      4.45                
 85 ILE  QG2    91 ARG+ HA      4.67                
 85 ILE  QG2    92 GLU- HN      6.28                
 85 ILE  HG12   85 ILE  QD1     3.43                
 85 ILE  HG12  135 HEMC QT2     5.23                
 85 ILE  HG13   85 ILE  QD1     3.68                
 85 ILE  HG13  135 HEMC QT2     5.44                
 85 ILE  QD1    90 GLU- HB3     4.45                
 85 ILE  QD1    91 ARG+ HA      6.00                
 85 ILE  QD1   135 HEMC QT2     5.17                
 86 LYS+ HN     86 LYS+ HA      4.69                
 86 LYS+ HN     86 LYS+ HB2     3.33                
 86 LYS+ HN     86 LYS+ HB3     4.76                
 86 LYS+ HN     87 LYS+ HN      5.13                
 86 LYS+ HN     87 LYS+ HA      5.50                
 86 LYS+ HA     86 LYS+ HB2     3.61                
 86 LYS+ HA     86 LYS+ HB3     3.21                
 86 LYS+ HA     86 LYS+ QG      5.54                
 87 LYS+ HN     87 LYS+ HA      3.73                
 87 LYS+ HN     87 LYS+ HB2     3.52                
 87 LYS+ HN     87 LYS+ HB3     3.02                
 87 LYS+ HN     87 LYS+ HD2     3.89                
 87 LYS+ HN     90 GLU- HN      5.50                
 87 LYS+ HA     87 LYS+ HB2     3.45                
 87 LYS+ HA     87 LYS+ HB3     3.58                
 87 LYS+ HA     87 LYS+ HG2     4.57                
 87 LYS+ HA     87 LYS+ HD2     5.50                
 87 LYS+ HA     90 GLU- HN      5.50                
 87 LYS+ HB2    87 LYS+ HB3     2.55                
 87 LYS+ HB2    90 GLU- HN      3.70                
 87 LYS+ HB3    89 THR  HN      4.32                
 87 LYS+ HB3    90 GLU- HN      3.36                
 87 LYS+ HG2    87 LYS+ QE      6.35                
 87 LYS+ HG2    89 THR  HN      5.16                
 87 LYS+ HG2    90 GLU- HN      5.50                
 88 LYS+ HN     88 LYS+ HA      5.50                
 88 LYS+ HA     88 LYS+ HB2     2.96                
 88 LYS+ HA     88 LYS+ HG2     3.08                
 88 LYS+ HA     89 THR  HN      5.04                
 88 LYS+ HA     90 GLU- HN      4.48                
 88 LYS+ HA     91 ARG+ HN      4.07                
 88 LYS+ HB2    89 THR  HN      3.05                
 88 LYS+ HG2    92 GLU- HG2     3.73                
 89 THR  HN     89 THR  HA      2.93                
 89 THR  HN     89 THR  HB      4.23                
 89 THR  HN     89 THR  QG2     3.77                
 89 THR  HN     90 GLU- HN      3.45                
 89 THR  HA     89 THR  HB      4.42                
 89 THR  HA     89 THR  QG2     3.80                
 89 THR  HA     90 GLU- HN      4.57                
 89 THR  HA     91 ARG+ HN      5.50                
 89 THR  HA     92 GLU- HN      3.61                
 89 THR  HA     92 GLU- HB2     3.42                
 89 THR  HA     92 GLU- HG2     5.50                
 89 THR  HA     92 GLU- HG3     5.16                
 89 THR  HB     89 THR  QG2     3.43                
 89 THR  HB     90 GLU- HN      4.04                
 89 THR  QG2    90 GLU- HN      5.75                
 90 GLU- HN     90 GLU- HA      3.61                
 90 GLU- HN     90 GLU- HB2     2.99                
 90 GLU- HN     90 GLU- HB3     3.48                
 90 GLU- HN     90 GLU- HG2     4.48                
 90 GLU- HN     90 GLU- HG3     3.70                
 90 GLU- HN     91 ARG+ HN      3.08                
 90 GLU- HN     91 ARG+ HA      5.50                
 90 GLU- HN     91 ARG+ HB2     4.54                
 90 GLU- HN     91 ARG+ HG3     5.50                
 90 GLU- HN     92 GLU- HN      4.60                
 90 GLU- HA     90 GLU- HB2     4.23                
 90 GLU- HA     90 GLU- HB3     2.83                
 90 GLU- HA     90 GLU- HG2     3.33                
 90 GLU- HA     90 GLU- HG3     4.11                
 90 GLU- HA     91 ARG+ HN      4.23                
 90 GLU- HA     93 ASP- HB2     3.42                
 90 GLU- HA     93 ASP- HB3     3.95                
 90 GLU- HA     94 LEU  HN      3.64                
 90 GLU- HB2    91 ARG+ HN      3.76                
 90 GLU- HB3    91 ARG+ HN      3.73                
 90 GLU- HG2    91 ARG+ HN      5.50                
 90 GLU- HG3    91 ARG+ HN      5.50                
 91 ARG+ HN     91 ARG+ HA      3.45                
 91 ARG+ HN     91 ARG+ HB2     3.14                
 91 ARG+ HN     91 ARG+ HB3     4.38                
 91 ARG+ HN     91 ARG+ HG2     3.89                
 91 ARG+ HN     91 ARG+ HG3     4.54                
 91 ARG+ HN     91 ARG+ QD      5.76                
 91 ARG+ HN     92 GLU- HN      2.96                
 91 ARG+ HA     91 ARG+ HB2     3.33                
 91 ARG+ HA     91 ARG+ HG2     3.33                
 91 ARG+ HA     91 ARG+ HG3     3.52                
 91 ARG+ HA     91 ARG+ QD      5.17                
 91 ARG+ HA     92 GLU- HN      4.11                
 91 ARG+ HA     94 LEU  HN      4.11                
 91 ARG+ HA     94 LEU  HB2     3.24                
 91 ARG+ HA     94 LEU  HB3     3.58                
 91 ARG+ HA     94 LEU  QD2     5.29                
 91 ARG+ HA     95 ILE  HN      5.10                
 91 ARG+ HA     95 ILE  QD1     6.53                
 91 ARG+ HB2    91 ARG+ HG2     3.36                
 91 ARG+ HB2    91 ARG+ HG3     4.26                
 91 ARG+ HB2    95 ILE  QD1     4.57                
 91 ARG+ HB3    92 GLU- HN      3.76                
 91 ARG+ HB3    95 ILE  QD1     3.86                
 92 GLU- HN     92 GLU- HA      3.30                
 92 GLU- HN     92 GLU- HB2     2.65                
 92 GLU- HN     92 GLU- HB3     3.55                
 92 GLU- HN     92 GLU- HG2     3.30                
 92 GLU- HN     92 GLU- HG3     3.08                
 92 GLU- HN     95 ILE  QD1     6.53                
 92 GLU- HA     92 GLU- HB2     3.05                
 92 GLU- HA     92 GLU- HB3     2.86                
 92 GLU- HA     92 GLU- HG2     3.33                
 92 GLU- HA     92 GLU- HG3     3.36                
 92 GLU- HA     94 LEU  HN      5.50                
 92 GLU- HA     95 ILE  HN      4.04                
 92 GLU- HA     95 ILE  HB      2.93                
 92 GLU- HA     95 ILE  QG2     6.12                
 92 GLU- HA     95 ILE  QD1     4.36                
 92 GLU- HA     96 ALA  HN      4.01                
 92 GLU- HB3    93 ASP- HN      3.30                
 92 GLU- HG2    92 GLU- HG3     2.40                
 92 GLU- HG3    95 ILE  QD1     4.92                
 93 ASP- HN     93 ASP- HA      3.17                
 93 ASP- HN     93 ASP- HB2     3.14                
 93 ASP- HN     93 ASP- HB3     3.45                
 93 ASP- HN     94 LEU  HN      3.17                
 93 ASP- HN     94 LEU  HB3     4.85                
 93 ASP- HA     93 ASP- HB2     3.17                
 93 ASP- HA     93 ASP- HB3     2.90                
 93 ASP- HA     96 ALA  HN      4.01                
 93 ASP- HA     96 ALA  QB      4.08                
 93 ASP- HB2    94 LEU  HN      3.45                
 93 ASP- HB3    94 LEU  HN      3.42                
 94 LEU  HN     94 LEU  HA      3.33                
 94 LEU  HN     94 LEU  HB2     2.99                
 94 LEU  HN     94 LEU  HB3     2.90                
 94 LEU  HN     94 LEU  HG      5.50                
 94 LEU  HN     94 LEU  QD1     5.57                
 94 LEU  HN     94 LEU  QD2     5.88                
 94 LEU  HN     95 ILE  HN      3.24                
 94 LEU  HN     96 ALA  HN      5.50                
 94 LEU  HA     94 LEU  HB2     3.52                
 94 LEU  HA     94 LEU  HB3     3.24                
 94 LEU  HA     94 LEU  HG      4.88                
 94 LEU  HA     94 LEU  QD1     3.58                
 94 LEU  HA     94 LEU  QD2     5.13                
 94 LEU  HA     95 ILE  HN      4.32                
 94 LEU  HA     97 TYR  HN      4.11                
 94 LEU  HA     97 TYR  HB2     4.07                
 94 LEU  HA     97 TYR  HB3     3.70                
 94 LEU  HA     98 LEU  HN      5.50                
 94 LEU  HB2    94 LEU  HB3     2.40                
 94 LEU  HB2    94 LEU  HG      3.33                
 94 LEU  HB2    94 LEU  QD1     3.68                
 94 LEU  HB2    94 LEU  QD2     3.71                
 94 LEU  HB2    95 ILE  HN      3.33                
 94 LEU  HB3    94 LEU  HG      2.83                
 94 LEU  HB3    94 LEU  QD1     3.95                
 94 LEU  HB3    94 LEU  QD2     3.74                
 94 LEU  HB3    98 LEU  QD1     5.10                
 94 LEU  HG     94 LEU  QD1     3.43                
 94 LEU  HG     94 LEU  QD2     3.46                
 94 LEU  HG     95 ILE  HN      5.50                
 94 LEU  HG     95 ILE  HA      5.50                
 94 LEU  HG     98 LEU  QD1     3.99                
 94 LEU  HG    135 HEMC QM1     5.72                
 94 LEU  QD1    94 LEU  QD2     4.73                
 94 LEU  QD1    95 ILE  HN      6.53                
 94 LEU  QD1    95 ILE  HA      6.53                
 94 LEU  QD1    97 TYR  HN      6.53                
 94 LEU  QD1    97 TYR  HD2     4.76                
 94 LEU  QD1    98 LEU  HN      5.16                
 94 LEU  QD1    98 LEU  QD1     5.79                
 94 LEU  QD1   135 HEMC QM1     5.57                
 94 LEU  QD2    95 ILE  HN      6.53                
 94 LEU  QD2    98 LEU  QD1     5.42                
 94 LEU  QD2   135 HEMC QM1     4.83                
 94 LEU  QD2   135 HEMC QT2     4.98                
 95 ILE  HN     95 ILE  HA      3.33                
 95 ILE  HN     95 ILE  HB      2.74                
 95 ILE  HN     95 ILE  QG2     4.85                
 95 ILE  HN     95 ILE  HG12    4.17                
 95 ILE  HN     95 ILE  HG13    2.83                
 95 ILE  HN     95 ILE  QD1     4.76                
 95 ILE  HN     96 ALA  HN      3.21                
 95 ILE  HN     96 ALA  QB      5.94                
 95 ILE  HN     98 LEU  HN      5.50                
 95 ILE  HA     95 ILE  HB      3.33                
 95 ILE  HA     95 ILE  QG2     3.55                
 95 ILE  HA     95 ILE  HG12    3.33                
 95 ILE  HA     95 ILE  HG13    3.36                
 95 ILE  HA     95 ILE  QD1     4.76                
 95 ILE  HA     96 ALA  HN      4.14                
 95 ILE  HA     98 LEU  HN      3.79                
 95 ILE  HA     98 LEU  QD1     3.80                
 95 ILE  HA     98 LEU  QD2     6.53                
 95 ILE  HA     99 LYS+ HN      4.69                
 95 ILE  HB     95 ILE  QG2     3.43                
 95 ILE  HB     95 ILE  HG12    4.07                
 95 ILE  HB     95 ILE  HG13    2.90                
 95 ILE  HB     95 ILE  QD1     3.43                
 95 ILE  HB     96 ALA  HN      3.17                
 95 ILE  QG2    95 ILE  HG12    4.02                
 95 ILE  QG2    95 ILE  HG13    3.92                
 95 ILE  QG2    95 ILE  QD1     5.17                
 95 ILE  QG2    96 ALA  HN      4.76                
 95 ILE  QG2    96 ALA  HA      4.70                
 95 ILE  QG2    97 TYR  HN      6.50                
 95 ILE  QG2    98 LEU  HN      6.31                
 95 ILE  QG2    99 LYS+ HN      4.92                
 95 ILE  HG12   95 ILE  HG13    2.40                
 95 ILE  HG12   95 ILE  QD1     3.43                
 95 ILE  HG13   95 ILE  QD1     3.43                
 95 ILE  QD1    96 ALA  HN      6.53                
 96 ALA  HN     96 ALA  HA      2.96                
 96 ALA  HN     96 ALA  QB      3.43                
 96 ALA  HN     97 TYR  HN      3.61                
 96 ALA  HN     97 TYR  HB3     5.50                
 96 ALA  HN     99 LYS+ HN      5.50                
 96 ALA  HA     96 ALA  QB      3.43                
 96 ALA  HA     97 TYR  HN      4.07                
 96 ALA  HA     98 LEU  HN      5.50                
 96 ALA  HA     99 LYS+ HN      3.76                
 96 ALA  HA     99 LYS+ QB      4.64                
 96 ALA  HA    100 LYS+ HN      5.50                
 96 ALA  QB     97 TYR  HN      3.68                
 96 ALA  QB     99 LYS+ HN      6.53                
 97 TYR  HN     97 TYR  HA      3.39                
 97 TYR  HN     97 TYR  HB2     3.02                
 97 TYR  HN     97 TYR  HB3     2.90                
 97 TYR  HN     97 TYR  HD1     5.50                
 97 TYR  HN     98 LEU  HN      3.14                
 97 TYR  HN     99 LYS+ HN      5.50                
 97 TYR  HA     97 TYR  HB2     3.17                
 97 TYR  HA     97 TYR  HB3     3.39                
 97 TYR  HA     97 TYR  HD1     4.29                
 97 TYR  HA     97 TYR  HD2     5.50                
 97 TYR  HA     98 LEU  HN      4.85                
 97 TYR  HA    100 LYS+ HN      4.85                
 97 TYR  HA    101 ALA  HN      5.16                
 97 TYR  HB2    97 TYR  HB3     2.40                
 97 TYR  HB2    97 TYR  HD1     4.17                
 97 TYR  HB2    97 TYR  HD2     3.61                
 97 TYR  HB2    98 LEU  HN      3.89                
 97 TYR  HB3    97 TYR  HD1     4.23                
 97 TYR  HB3    97 TYR  HD2     3.48                
 97 TYR  HB3    98 LEU  HN      3.36                
 97 TYR  HD1    97 TYR  HD2     2.40                
 97 TYR  HD1    97 TYR  HE1     3.73                
 97 TYR  HD1    97 TYR  HE2     3.95                
 97 TYR  HD1    98 LEU  HN      5.50                
 97 TYR  HD1    98 LEU  HA      4.23                
 97 TYR  HD1    98 LEU  QD2     6.25                
 97 TYR  HD1   100 LYS+ HB2     4.82                
 97 TYR  HD2    97 TYR  HE1     3.89                
 97 TYR  HD2    97 TYR  HE2     4.72                
 97 TYR  HD2    98 LEU  HN      5.50                
 97 TYR  HD2    98 LEU  HG      3.76                
 97 TYR  HD2    98 LEU  QD2     6.12                
 97 TYR  HE1    97 TYR  HE2     2.40                
 97 TYR  HE1    98 LEU  QD2     6.53                
 97 TYR  HE1   100 LYS+ HB3     4.54                
 97 TYR  HE1   101 ALA  QB      4.70                
 97 TYR  HE2    98 LEU  QD2     6.53                
 97 TYR  HE2   101 ALA  QB      5.85                
 98 LEU  HN     98 LEU  HA      3.36                
 98 LEU  HN     98 LEU  HB2     2.96                
 98 LEU  HN     98 LEU  HB3     3.76                
 98 LEU  HN     98 LEU  HG      2.86                
 98 LEU  HN     98 LEU  QD1     5.19                
 98 LEU  HN     98 LEU  QD2     5.26                
 98 LEU  HN     99 LYS+ HN      3.17                
 98 LEU  HN    100 LYS+ HN      5.50                
 98 LEU  HN    102 THR  QG2     6.53                
 98 LEU  HA     98 LEU  HB2     3.02                
 98 LEU  HA     98 LEU  HB3     3.02                
 98 LEU  HA     98 LEU  HG      3.39                
 98 LEU  HA     98 LEU  QD1     4.76                
 98 LEU  HA     98 LEU  QD2     3.43                
 98 LEU  HA     99 LYS+ HN      4.35                
 98 LEU  HA    100 LYS+ HN      4.29                
 98 LEU  HA    101 ALA  HN      3.76                
 98 LEU  HA    101 ALA  QB      3.80                
 98 LEU  HA    102 THR  HN      3.98                
 98 LEU  HA    102 THR  QG2     4.02                
 98 LEU  HB2    98 LEU  HB3     2.40                
 98 LEU  HB2    98 LEU  HG      2.65                
 98 LEU  HB2    98 LEU  QD1     3.46                
 98 LEU  HB2    98 LEU  QD2     4.42                
 98 LEU  HB2    99 LYS+ HN      3.36                
 98 LEU  HB3    98 LEU  HG      3.30                
 98 LEU  HB3    98 LEU  QD1     3.52                
 98 LEU  HB3    98 LEU  QD2     3.92                
 98 LEU  HB3    99 LYS+ HN      4.17                
 98 LEU  HG     98 LEU  QD1     3.43                
 98 LEU  HG     98 LEU  QD2     3.43                
 98 LEU  HG    135 HEMC QM1     6.50                
 98 LEU  QD1    98 LEU  QD2     4.92                
 98 LEU  QD1    99 LYS+ HN      6.53                
 98 LEU  QD2    99 LYS+ HN      6.53                
 98 LEU  QD2   135 HEMC QM1     7.37                
 99 LYS+ HN     99 LYS+ HA      3.27                
 99 LYS+ HN     99 LYS+ QB      4.24                
 99 LYS+ HN     99 LYS+ HG2     2.90                
 99 LYS+ HN     99 LYS+ HG3     5.19                
 99 LYS+ HN     99 LYS+ QD      6.38                
 99 LYS+ HN    100 LYS+ HN      3.30                
 99 LYS+ HN    100 LYS+ HB3     4.69                
 99 LYS+ HN    100 LYS+ HG3     5.50                
 99 LYS+ HN    101 ALA  HN      4.69                
 99 LYS+ HN    102 THR  QG2     6.53                
 99 LYS+ HA     99 LYS+ QB      4.36                
 99 LYS+ HA     99 LYS+ HG2     2.68                
 99 LYS+ HA     99 LYS+ HG3     3.21                
 99 LYS+ HA     99 LYS+ QD      5.01                
 99 LYS+ HA    100 LYS+ HN      4.38                
 99 LYS+ HA    102 THR  HN      5.10                
 99 LYS+ HA    103 ASN  HD21    5.50                
 99 LYS+ QB     99 LYS+ HG2     3.28                
 99 LYS+ QB     99 LYS+ HG3     4.73                
 99 LYS+ QB     99 LYS+ QD      7.25                
 99 LYS+ QB    100 LYS+ HN      4.83                
 99 LYS+ HG2    99 LYS+ HG3     2.40                
 99 LYS+ HG2    99 LYS+ QD      4.89                
 99 LYS+ HG2   100 LYS+ HN      4.91                
 99 LYS+ HG3    99 LYS+ QD      3.56                
100 LYS+ HN    100 LYS+ HA      3.33                
100 LYS+ HN    100 LYS+ HB2     3.17                
100 LYS+ HN    100 LYS+ HB3     3.27                
100 LYS+ HN    100 LYS+ HG2     5.50                
100 LYS+ HN    100 LYS+ HG3     5.50                
100 LYS+ HN    100 LYS+ QD      6.38                
100 LYS+ HN    101 ALA  HN      3.05                
100 LYS+ HN    101 ALA  QB      5.41                
100 LYS+ HN    102 THR  HN      5.50                
100 LYS+ HA    100 LYS+ HB2     3.14                
100 LYS+ HA    100 LYS+ HB3     2.83                
100 LYS+ HA    100 LYS+ HG2     3.39                
100 LYS+ HA    100 LYS+ HG3     4.20                
100 LYS+ HA    101 ALA  HN      3.95                
100 LYS+ HA    103 ASN  HN      4.82                
100 LYS+ HB2   100 LYS+ HG2     3.11                
100 LYS+ HB2   100 LYS+ HG3     3.89                
100 LYS+ HB2   101 ALA  HN      3.24                
100 LYS+ HB3   100 LYS+ HG2     3.17                
100 LYS+ HB3   100 LYS+ HG3     3.27                
100 LYS+ HB3   101 ALA  HN      3.30                
100 LYS+ HG2   100 LYS+ QE      5.91                
100 LYS+ HG2   101 ALA  HN      5.50                
100 LYS+ HG3   100 LYS+ QE      5.85                
100 LYS+ HG3   101 ALA  HN      5.50                
100 LYS+ QD    101 ALA  HN      6.38                
101 ALA  HN    101 ALA  HA      3.42                
101 ALA  HN    101 ALA  QB      3.43                
101 ALA  HN    102 THR  HN      3.27                
101 ALA  HN    102 THR  QG2     5.66                
101 ALA  HN    103 ASN  HN      5.19                
101 ALA  HA    101 ALA  QB      3.74                
101 ALA  HA    102 THR  HN      3.58                
101 ALA  HA    102 THR  HA      5.04                
101 ALA  HA    102 THR  QG2     6.31                
101 ALA  HA    103 ASN  HN      4.42                
101 ALA  HA    104 GLU- HN      4.79                
101 ALA  QB    102 THR  HN      4.05                
101 ALA  QB    102 THR  HA      6.34                
101 ALA  QB    103 ASN  HN      5.60                
102 THR  HN    102 THR  HA      3.61                
102 THR  HN    102 THR  HB      3.83                
102 THR  HN    102 THR  QG2     3.43                
102 THR  HN    103 ASN  HN      3.05                
102 THR  HN    104 GLU- HN      4.04                
102 THR  HA    102 THR  HB      3.98                
102 THR  HA    102 THR  QG2     3.99                
102 THR  HA    103 ASN  HN      4.23                
102 THR  HB    102 THR  QG2     3.43                
103 ASN  HN    103 ASN  HA      3.36                
103 ASN  HN    103 ASN  HB2     3.39                
103 ASN  HN    103 ASN  HB3     3.17                
103 ASN  HN    103 ASN  HD21    5.50                
103 ASN  HN    103 ASN  HD22    3.05                
103 ASN  HN    104 GLU- HN      2.96                
103 ASN  HN    104 GLU- QG      6.38                
103 ASN  HA    103 ASN  HB2     3.17                
103 ASN  HA    103 ASN  HB3     3.21                
103 ASN  HA    103 ASN  HD21    5.50                
103 ASN  HA    103 ASN  HD22    5.50                
103 ASN  HA    104 GLU- HN      3.73                
103 ASN  HB2   103 ASN  HB3     2.40                
103 ASN  HB2   103 ASN  HD21    4.32                
103 ASN  HB2   103 ASN  HD22    4.42                
103 ASN  HB2   104 GLU- HN      4.01                
103 ASN  HB3   103 ASN  HD21    4.04                
103 ASN  HB3   103 ASN  HD22    5.50                
103 ASN  HB3   104 GLU- HN      5.50                
103 ASN  HD21  103 ASN  HD22    2.40                
104 GLU- HN    104 GLU- HA      3.52                
104 GLU- HN    104 GLU- HB2     3.64                
104 GLU- HN    104 GLU- HB3     3.58                
104 GLU- HN    104 GLU- QG      5.45                
104 GLU- HA    104 GLU- HB2     3.64                
104 GLU- HA    104 GLU- HB3     3.70                
104 GLU- HA    104 GLU- QG      6.38                
104 GLU- HB2   104 GLU- QG      3.90                
104 GLU- HB3   104 GLU- QG      4.52                
135 HEMC FE    135 HEMC CCN     2.20  5.00E+00                 
135 HEMC HAP71 135 HEMC HAP72   2.96                
135 HEMC HAP71 135 HEMC HBP73   3.39                
135 HEMC HAP71 135 HEMC HBP74   3.73                
135 HEMC HAP71 135 HEMC QM8     4.92                
135 HEMC HAP71 135 HEMC HGM     2.46                
135 HEMC HAP72 135 HEMC HBP73   3.83                
135 HEMC HAP72 135 HEMC HBP74   3.30                
135 HEMC HAP72 135 HEMC QM8     3.99                
135 HEMC HAP72 135 HEMC HGM     4.35                
135 HEMC HBP73 135 HEMC HBP74   2.49                
135 HEMC HBP73 135 HEMC QM8     5.69                
135 HEMC HBP73 135 HEMC HGM     3.86                
135 HEMC HBP74 135 HEMC QM8     3.89                
135 HEMC HBP74 135 HEMC HGM     5.22                
135 HEMC QM8   135 HEMC HDM     3.83                
135 HEMC QM8   135 HEMC QM1     7.55                
135 HEMC HDM   135 HEMC QM1     3.43                
135 HEMC QM1   135 HEMC HT2A    5.26                
135 HEMC QM1   135 HEMC QT2     4.49                
135 HEMC HT2A  135 HEMC QT2     3.43                
135 HEMC HT2A  135 HEMC HAM     2.40                
135 HEMC HT2A  135 HEMC QM3     5.44                
135 HEMC HAM   135 HEMC QM3     3.92                
135 HEMC QM3   135 HEMC HT4A    6.34                
135 HEMC QM3   135 HEMC QT4     4.86                
135 HEMC HT4A  135 HEMC QT4     3.43                
135 HEMC HT4A  135 HEMC QM5     5.60                
135 HEMC QM5   135 HEMC HAP61   6.53                
135 HEMC QM5   135 HEMC HAP62   3.68                
135 HEMC QM5   135 HEMC HBP63   6.53                
135 HEMC QM5   135 HEMC HBP64   6.53                
135 HEMC HGM   135 HEMC HAP61   2.71                
135 HEMC HGM   135 HEMC HAP62   5.34                
135 HEMC HAP61 135 HEMC HAP62   2.59                
 
pseudocontact shifts constrains:
  2 ASP- HA    -0.055   1   0.300   1.000
  3 VAL  HA    -0.141   1   0.300   1.000
  3 VAL  HB    -0.064   1   0.300   1.000
  4 GLU- HA    -0.029   1   0.300   1.000
  5 LYS+ HA    -0.081   1   0.300   1.000
  7 LYS+ HA     0.007   1   0.300   1.000
  8 LYS+ HA    -0.019   1   0.300   1.000
  9 ILE  HA    -0.251   1   0.300   1.000
  9 ILE  HB    -0.358   1   0.300   1.000
  9 ILE  HG21  -0.522   3   0.300   1.000
  9 ILE  HG22  -0.522   3   0.300   1.000
  9 ILE  HG23  -0.522   3   0.300   1.000
 10 PHE  HA    -0.284   1   0.300   1.000
 10 PHE  HB2   -0.199   1   0.300   1.000
 10 PHE  HB3    0.060   1   0.300   1.000
 11 VAL  HA     0.334   1   0.300   1.000
 11 VAL  HB     0.107   1   0.300   1.000
 12 GLN  HA    -0.049   1   0.300   1.000
 13 LYS+ HA    -0.647   1   0.300   1.000
 15 ALA  HA     1.945   1   0.300   1.000
 15 ALA  HB1    0.774   3   0.300   1.000
 15 ALA  HB2    0.774   3   0.300   1.000
 15 ALA  HB3    0.774   3   0.300   1.000
 16 GLN  HA     0.591   1   0.300   1.000
 19 THR  HA     1.687   1   0.300   1.000
 19 THR  HB     1.091   1   0.300   1.000
 19 THR  HG21   1.231   3   0.300   1.000
 19 THR  HG22   1.231   3   0.300   1.000
 19 THR  HG23   1.231   3   0.300   1.000
 20 VAL  HA     0.960   1   0.300   1.000
 20 VAL  HB     0.547   1   0.300   1.000
 20 VAL  HG11   0.841   3   0.300   1.000
 20 VAL  HG12   0.841   3   0.300   1.000
 20 VAL  HG13   0.841   3   0.300   1.000 
 20 VAL  HG21   0.557   3   0.300   1.000
 20 VAL  HG22   0.557   3   0.300   1.000
 20 VAL  HG23   0.557   3   0.300   1.000
 21 GLU- HA     0.393   1   0.300   1.000
 22 LYS+ HA     0.264   1   0.300   1.000
 25 LYS+ HA     0.505   1   0.300   1.000
 26 HIS  HA     1.090   1   0.300   1.000
 27 LYS+ HA     0.513   1   0.300   1.000
 28 THR  HB    -1.249   1   0.300   1.000
 28 THR  HG21  -2.313   3   0.300   1.000
 28 THR  HG22  -2.313   3   0.300   1.000
 28 THR  HG23  -2.313   3   0.300   1.000
 30 PRO  HA     1.038   1   0.300   1.000
 31 ASN  HA     2.047   1   0.300   1.000
 32 LEU  HA     0.485   1   0.300   1.000
 32 LEU  HG     3.544   1   0.300   1.000
 32 LEU  HD11   1.165   3   0.300   1.000
 32 LEU  HD12   1.165   3   0.300   1.000
 32 LEU  HD13   1.165   3   0.300   1.000
 32 LEU  HD21   0.311   3   0.300   1.000
 32 LEU  HD22   0.311   3   0.300   1.000
 32 LEU  HD23   0.311   3   0.300   1.000
 33 HIS  HA     0.218   1   0.300   1.000
 35 LEU  HA    -0.396   1   0.300   1.000
 35 LEU  HG    -0.892   1   0.300   1.000
 36 PHE  HA    -0.322   1   0.300   1.000
 36 PHE  HZ    -0.603   1   0.300   1.000
 38 ARG+ HA    -0.135   1   0.300   1.000
 40 THR  HA    -0.456   1   0.300   1.000
 40 THR  HB    -0.262   1   0.300   1.000
 40 THR  HG21  -0.114   3   0.300   1.000
 40 THR  HG22  -0.114   3   0.300   1.000
 40 THR  HG23  -0.114   3   0.300   1.000
 42 GLN  HA    -0.082   1   0.300   1.000
 43 ALA  HA    -0.017   1   0.300   1.000
 43 ALA  HB1    0.011   3   0.300   1.000
 43 ALA  HB2    0.011   3   0.300   1.000
 43 ALA  HB3    0.011   3   0.300   1.000
 44 PRO  HA    -0.016   1   0.300   1.000
 46 PHE  HA    -0.084   1   0.300   1.000
 47 THR  HA    -0.247   1   0.300   1.000 
 47 THR  HB    -0.290   1   0.300   1.000
 47 THR  HG21  -0.227   3   0.300   1.000
 47 THR  HG22  -0.227   3   0.300   1.000
 47 THR  HG23  -0.227   3   0.300   1.000
 48 TYR  HA    -0.840   1   0.300   1.000
 49 THR  HA    -0.219   1   0.300   1.000
 49 THR  HB    -0.130   1   0.300   1.000
 49 THR  HG21  -0.369   3   0.300   1.000
 49 THR  HG22  -0.369   3   0.300   1.000
 49 THR  HG23  -0.369   3   0.300   1.000
 50 ASP- HA    -0.003   1   0.300   1.000
 51 ALA  HA     0.245   1   0.300   1.000
 51 ALA  HB1    0.271   3   0.300   1.000
 51 ALA  HB2    0.271   3   0.300   1.000
 51 ALA  HB3    0.271   3   0.300   1.000
 52 ASN  HA     0.301   1   0.300   1.000 
 53 LYS+ HA     0.097   1   0.300   1.000 
 54 ASN  HA     0.134   1   0.300   1.000
 55 LYS+ HA     0.133   1   0.300   1.000
 57 ILE  HA    -0.082   1   0.300   1.000
 57 ILE  HB    -0.147   1   0.300   1.000
 58 THR  HA    -0.166   1   0.300   1.000
 58 THR  HB    -0.099   1   0.300   1.000
 58 THR  HG21  -0.122   3   0.300   1.000
 58 THR  HG22  -0.122   3   0.300   1.000
 58 THR  HG23  -0.122   3   0.300   1.000
 59 TRP  HD1   -0.628   1   0.300   1.000
 59 TRP  HE3   -0.638   1   0.300   1.000
 59 TRP  HE1   -0.997   1   0.300   1.000
 59 TRP  HZ3   -0.236   1   0.300   1.000
 59 TRP  HZ2   -0.173   1   0.300   1.000
 59 TRP  HH2    0.632   1   0.300   1.000
 60 LYS+ HA    -0.209   1   0.300   1.000 
 61 GLU- HA    -0.364   1   0.300   1.000
 62 GLU- HA    -0.102   1   0.300   1.000
 63 THR  HA    -0.047   1   0.300   1.000
 63 THR  HB    -0.140   1   0.300   1.000
 63 THR  HG21  -0.075   3   0.300   1.000
 63 THR  HG22  -0.075   3   0.300   1.000
 63 THR  HG23  -0.075   3   0.300   1.000
 64 LEU  HA    -0.548   1   0.300   1.000
 64 LEU  HG    -0.943   1   0.300   1.000
 65 MET  HA    -0.161   1   0.300   1.000
 66 GLU- HA    -0.200   1   0.300   1.000
 67 TYR  HA     0.735   1   0.300   1.000
 68 LEU  HA     0.789   1   0.300   1.000
 68 LEU  HG    -0.779   1   0.300   1.000
 69 GLU- HA     0.221   1   0.300   1.000
 70 ASN  HA     0.972   1   0.300   1.000
 71 PRO  HA     1.753   1   0.500   1.000
 72 LYS+ HA     1.342   1   0.500   1.000
 73 LYS+ HA     0.527   1   0.500   1.000
 74 TYR  HA     0.469   1   0.500   1.000
 74 TYR  HB2    0.930   1   0.500   1.000
 74 TYR  HB3    0.668   1   0.500   1.000
 75 ILE  HA     0.850   1   0.500   1.000
 75 ILE  HB     1.531   1   0.500   1.000
 75 ILE  HG21   0.817   3   0.500   1.000
 75 ILE  HG22   0.817   3   0.500   1.000
 75 ILE  HG23   0.817   3   0.500   1.000
 75 ILE  HD11   1.987   3   0.500   1.000 
 75 ILE  HD12   1.987   3   0.500   1.000
 75 ILE  HD13   1.987   3   0.500   1.000 
 76 PRO  HA     0.658   1   0.800   1.000
 78 THR  HA     1.421   1   0.800   1.000
 78 THR  HB     1.810   1   0.800   1.000 
 78 THR  HG21   1.349   3   0.800   1.000 
 78 THR  HG22   1.349   3   0.800   1.000
 78 THR  HG23   1.349   3   0.800   1.000 
 82 PHE  HA     0.250   1   0.800   1.000
 83 ALA  HA     0.893   1   0.800   1.000
 83 ALA  HB1    0.374   3   0.800   1.000
 83 ALA  HB2    0.374   3   0.800   1.000
 83 ALA  HB3    0.374   3   0.800   1.000
 85 ILE  HA    -0.067   1   0.500   1.000
 85 ILE  HB    -0.116   1   0.500   1.000
 85 ILE  HG21  -0.244   3   0.500   1.000
 85 ILE  HG22  -0.244   3   0.500   1.000
 85 ILE  HG23  -0.244   3   0.500   1.000
 85 ILE  HD11  -0.707   3   0.500   1.000
 85 ILE  HD12  -0.707   3   0.500   1.000
 85 ILE  HD13  -0.707   3   0.500   1.000
 86 LYS+ HA     0.083   1   0.300   1.000
 87 LYS+ HA     0.019   1   0.300   1.000
 88 LYS+ HA    -0.007   1   0.300   1.000
 89 THR  HA    -0.095   1   0.300   1.000
 89 THR  HB    -0.075   1   0.300   1.000
 89 THR  HG21  -0.060   3   0.300   1.000
 89 THR  HG22  -0.060   3   0.300   1.000
 89 THR  HG23  -0.060   3   0.300   1.000
 90 GLU- HA    -0.224   1   0.300   1.000
 91 ARG+ HA    -0.414   1   0.300   1.000
 92 GLU- HA    -0.256   1   0.300   1.000
 93 ASP- HA    -0.180   1   0.300   1.000
 94 LEU  HA    -0.456   1   0.300   1.000
 94 LEU  HG    -0.944   1   0.300   1.000
 94 LEU  HD11  -0.832   3   0.300   1.000
 94 LEU  HD12  -0.832   3   0.300   1.000
 94 LEU  HD13  -0.832   3   0.300   1.000
 94 LEU  HD21  -1.330   3   0.300   1.000
 94 LEU  HD22  -1.330   3   0.300   1.000
 94 LEU  HD23  -1.330   3   0.300   1.000
 95 ILE  HA    -0.678   1   0.300   1.000
 95 ILE  HB    -0.401   1   0.300   1.000
 95 ILE  HG21  -0.463   3   0.300   1.000 
 95 ILE  HG22  -0.463   3   0.300   1.000
 95 ILE  HG23  -0.463   3   0.300   1.000
 95 ILE  HD11  -0.469   3   0.300   1.000
 95 ILE  HD12  -0.469   3   0.300   1.000
 95 ILE  HD13  -0.469   3   0.300   1.000
 96 ALA  HA    -0.256   1   0.300   1.000
 96 ALA  HB1   -0.167   3   0.300   1.000
 96 ALA  HB2   -0.167   3   0.300   1.000
 96 ALA  HB3   -0.167   3   0.300   1.000
 97 TYR  HA    -0.107   1   0.300   1.000
 97 TYR  HB2   -0.139   1   0.300   1.000
 97 TYR  HB3   -0.342   1   0.300   1.000
 98 LEU  HA    -0.215   1   0.300   1.000
 98 LEU  HG    -0.743   1   0.300   1.000
 98 LEU  HD11  -1.593   3   0.300   1.000
 98 LEU  HD12  -1.593   3   0.300   1.000
 98 LEU  HD13  -1.593   3   0.300   1.000
 98 LEU  HD21  -0.601   3   0.300   1.000
 98 LEU  HD22  -0.601   3   0.300   1.000
 98 LEU  HD23  -0.601   3   0.300   1.000
100 LYS+ HA    -0.011   1   0.300   1.000
101 ALA  HA     0.109   1   0.300   1.000
101 ALA  HB1    0.132   3   0.300   1.000
101 ALA  HB2    0.132   3   0.300   1.000
101 ALA  HB3    0.132   3   0.300   1.000
102 THR  HA     0.240   1   0.300   1.000
102 THR  HB     0.067   1   0.300   1.000
102 THR  HG21   0.022   3   0.300   1.000
102 THR  HG22   0.022   3   0.300   1.000
102 THR  HG23   0.022   3   0.300   1.000
103 ASN  HA     0.032   1   0.300   1.000
104 GLU- HA     0.064   1   0.300   1.000
-30 LTNS PCN



  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1          H1        GLY   1  15.117   3.161   6.807
    2   2H    GLY   1          H2        GLY   1  13.495   3.153   6.607
    3   3H    GLY   1          H3        GLY   1  14.325   1.699   6.635
    4   1HA   GLY   1          HA2       GLY   1  15.511   2.408   4.642
    5   2HA   GLY   1          HA1       GLY   1  13.753   2.288   4.409
    6    H    ASP   2           HN       ASP   2  15.241   3.936   2.758
    7    HA   ASP   2           HA       ASP   2  15.242   6.699   3.799
    8   1HB   ASP   2          HB2       ASP   2  16.987   5.541   2.102
    9   2HB   ASP   2          HB3       ASP   2  15.821   6.029   0.934
   10    H    VAL   3           HN       VAL   3  13.447   7.981   3.621
   11    HA   VAL   3           HA       VAL   3  11.223   7.365   1.994
   12    HB   VAL   3           HB       VAL   3  10.619   8.685   3.715
   13   1HG1  VAL   3          HG11      VAL   3  13.034  10.404   3.351
   14   2HG1  VAL   3          HG12      VAL   3  11.648  10.773   4.421
   15   3HG1  VAL   3          HG13      VAL   3  12.593   9.313   4.707
   16   1HG2  VAL   3          HG21      VAL   3   9.823   9.779   1.498
   17   2HG2  VAL   3          HG22      VAL   3   9.819  10.824   2.922
   18   3HG2  VAL   3          HG23      VAL   3  11.124  10.952   1.729
   19    H    GLU   4           HN       GLU   4  14.288   9.074   1.117
   20    HA   GLU   4           HA       GLU   4  13.008  10.218  -1.239
   21   1HB   GLU   4          HB2       GLU   4  15.946   9.810  -0.496
   22   2HB   GLU   4          HB3       GLU   4  15.403  10.457  -2.051
   23   1HG   GLU   4          HG2       GLU   4  14.082  12.221  -0.737
   24   2HG   GLU   4          HG3       GLU   4  14.980  11.681   0.695
   25    H    LYS   5           HN       LYS   5  14.997   7.332  -0.682
   26    HA   LYS   5           HA       LYS   5  14.711   6.260  -3.328
   27   1HB   LYS   5          HB2       LYS   5  15.049   4.947  -0.573
   28   2HB   LYS   5          HB3       LYS   5  14.870   3.992  -2.035
   29   1HG   LYS   5          HG2       LYS   5  16.982   6.165  -1.903
   30   2HG   LYS   5          HG3       LYS   5  17.239   4.604  -1.107
   31   1HD   LYS   5          HD2       LYS   5  16.854   3.377  -3.158
   32   2HD   LYS   5          HD3       LYS   5  16.464   4.865  -4.048
   33   1HE   LYS   5          HE2       LYS   5  18.747   5.707  -3.750
   34   2HE   LYS   5          HE3       LYS   5  19.158   4.346  -2.692
   35   1HZ   LYS   5          HZ1       LYS   5  18.449   4.099  -5.540
   36   2HZ   LYS   5          HZ2       LYS   5  19.971   4.028  -4.919
   37   3HZ   LYS   5          HZ3       LYS   5  18.874   2.867  -4.534
   38    H    GLY   6           HN       GLY   6  12.676   6.190  -0.468
   39   1HA   GLY   6          HA1       GLY   6  10.764   4.352  -1.400
   40   2HA   GLY   6          HA2       GLY   6  10.488   5.608  -0.164
   41    H    LYS   7           HN       LYS   7  10.885   7.940  -1.721
   42    HA   LYS   7           HA       LYS   7   8.327   8.227  -2.870
   43   1HB   LYS   7          HB2       LYS   7   9.902   9.855  -1.735
   44   2HB   LYS   7          HB3       LYS   7  10.781   9.993  -3.262
   45   1HG   LYS   7          HG2       LYS   7   8.790  10.933  -4.342
   46   2HG   LYS   7          HG3       LYS   7   7.787  10.530  -2.925
   47   1HD   LYS   7          HD2       LYS   7   9.250  11.917  -1.486
   48   2HD   LYS   7          HD3       LYS   7  10.196  12.386  -2.908
   49   1HE   LYS   7          HE2       LYS   7   8.103  13.392  -3.923
   50   2HE   LYS   7          HE3       LYS   7   7.202  12.941  -2.466
   51   1HZ   LYS   7          HZ1       LYS   7   9.459  14.834  -2.565
   52   2HZ   LYS   7          HZ2       LYS   7   7.870  15.224  -2.406
   53   3HZ   LYS   7          HZ3       LYS   7   8.635  14.406  -1.205
   54    H    LYS   8           HN       LYS   8  11.592   7.804  -4.294
   55    HA   LYS   8           HA       LYS   8  10.741   7.988  -7.044
   56   1HB   LYS   8          HB2       LYS   8  13.160   6.787  -5.657
   57   2HB   LYS   8          HB3       LYS   8  12.849   6.471  -7.372
   58   1HG   LYS   8          HG2       LYS   8  12.707   8.886  -7.833
   59   2HG   LYS   8          HG3       LYS   8  13.079   9.246  -6.133
   60   1HD   LYS   8          HD2       LYS   8  15.282   8.271  -6.339
   61   2HD   LYS   8          HD3       LYS   8  14.899   7.582  -7.935
   62   1HE   LYS   8          HE2       LYS   8  14.661   9.844  -8.903
   63   2HE   LYS   8          HE3       LYS   8  14.987  10.581  -7.325
   64   1HZ   LYS   8          HZ1       LYS   8  17.190   9.654  -7.408
   65   2HZ   LYS   8          HZ2       LYS   8  16.887   8.924  -8.856
   66   3HZ   LYS   8          HZ3       LYS   8  16.911  10.562  -8.746
   67    H    ILE   9           HN       ILE   9  11.117   5.178  -4.831
   68    HA   ILE   9           HA       ILE   9  10.285   3.228  -6.720
   69    HB   ILE   9           HB       ILE   9  10.065   3.271  -3.709
   70   1HG1  ILE   9          HG12      ILE   9  12.077   1.741  -5.410
   71   2HG1  ILE   9          HG13      ILE   9  12.402   3.394  -4.930
   72   1HG2  ILE   9          HG21      ILE   9   8.886   1.365  -5.542
   73   2HG2  ILE   9          HG22      ILE   9  10.265   0.600  -4.729
   74   3HG2  ILE   9          HG23      ILE   9   8.983   1.313  -3.780
   75   1HD1  ILE   9          HD11      ILE   9  12.154   2.828  -2.551
   76   2HD1  ILE   9          HD12      ILE   9  11.758   1.160  -2.986
   77   3HD1  ILE   9          HD13      ILE   9  13.381   1.814  -3.325
   78    H    PHE  10           HN       PHE  10   8.369   5.249  -4.451
   79    HA   PHE  10           HA       PHE  10   5.816   4.102  -5.070
   80   1HB   PHE  10          HB2       PHE  10   6.269   5.540  -3.137
   81   2HB   PHE  10          HB3       PHE  10   6.478   6.904  -4.187
   82    HD1  PHE  10           HD1      PHE  10   4.505   8.034  -5.167
   83    HD2  PHE  10           HD2      PHE  10   4.066   4.475  -2.794
   84    HE1  PHE  10           HE1      PHE  10   2.056   8.445  -4.989
   85    HE2  PHE  10           HE2      PHE  10   1.641   4.916  -2.565
   86    HZ   PHE  10           HZ       PHE  10   0.620   6.865  -3.721
   87    H    VAL  11           HN       VAL  11   7.482   6.957  -6.490
   88    HA   VAL  11           HA       VAL  11   5.485   7.583  -8.392
   89    HB   VAL  11           HB       VAL  11   8.465   8.011  -8.348
   90   1HG1  VAL  11          HG11      VAL  11   8.050   9.745 -10.106
   91   2HG1  VAL  11          HG12      VAL  11   7.812   8.095 -10.696
   92   3HG1  VAL  11          HG13      VAL  11   6.402   9.106 -10.301
   93   1HG2  VAL  11          HG21      VAL  11   7.041   9.184  -6.608
   94   2HG2  VAL  11          HG22      VAL  11   7.848  10.293  -7.722
   95   3HG2  VAL  11          HG23      VAL  11   6.123   9.923  -7.924
   96    H    GLN  12           HN       GLN  12   8.338   5.390  -8.667
   97    HA   GLN  12           HA       GLN  12   7.691   4.707 -11.385
   98   1HB   GLN  12          HB2       GLN  12   9.586   3.397  -9.401
   99   2HB   GLN  12          HB3       GLN  12   9.391   2.925 -11.099
  100   1HG   GLN  12          HG2       GLN  12   9.848   5.401 -11.678
  101   2HG   GLN  12          HG3       GLN  12  10.453   5.559 -10.025
  102   1HE2  GLN  12          HE21      GLN  12  11.721   5.513 -12.897
  103   2HE2  GLN  12          HE22      GLN  12  13.052   4.390 -12.700
  104    H    LYS  13           HN       LYS  13   6.796   3.084  -8.287
  105    HA   LYS  13           HA       LYS  13   5.021   1.367  -9.917
  106   1HB   LYS  13          HB2       LYS  13   5.784  -0.693  -8.880
  107   2HB   LYS  13          HB3       LYS  13   6.967   0.047  -9.946
  108   1HG   LYS  13          HG2       LYS  13   7.224   0.579  -7.009
  109   2HG   LYS  13          HG3       LYS  13   7.440  -1.083  -7.562
  110   1HD   LYS  13          HD2       LYS  13   9.101  -0.069  -9.357
  111   2HD   LYS  13          HD3       LYS  13   9.064   1.342  -8.301
  112   1HE   LYS  13          HE2       LYS  13  10.848   0.242  -7.311
  113   2HE   LYS  13          HE3       LYS  13   9.531  -0.540  -6.412
  114   1HZ   LYS  13          HZ1       LYS  13  11.043  -2.085  -7.097
  115   2HZ   LYS  13          HZ2       LYS  13   9.638  -2.375  -7.903
  116   3HZ   LYS  13          HZ3       LYS  13  10.930  -1.696  -8.692
  117    H    CYS  14           HN       CYS  14   4.372   3.478  -7.858
  118    HA   CYS  14           HA       CYS  14   2.130   1.727  -6.949
  119   1HB   CYS  14          HB2       CYS  14   3.223   3.968  -5.298
  120   2HB   CYS  14          HB3       CYS  14   1.825   2.965  -4.901
  121    H    ALA  15           HN       ALA  15   3.259   5.082  -7.373
  122    HA   ALA  15           HA       ALA  15   0.968   6.453  -7.008
  123   1HB   ALA  15          HB1       ALA  15   2.025   8.279  -8.255
  124   2HB   ALA  15          HB2       ALA  15   3.246   7.405  -7.311
  125   3HB   ALA  15          HB3       ALA  15   3.114   7.129  -9.059
  126    H    GLN  16           HN       GLN  16   1.407   4.433  -9.729
  127    HA   GLN  16           HA       GLN  16   0.090   5.768 -11.818
  128   1HB   GLN  16          HB2       GLN  16   1.380   3.541 -11.862
  129   2HB   GLN  16          HB3       GLN  16  -0.015   2.779 -11.092
  130   1HG   GLN  16          HG2       GLN  16  -1.394   3.582 -13.123
  131   2HG   GLN  16          HG3       GLN  16   0.162   4.049 -13.827
  132   1HE2  GLN  16          HE21      GLN  16  -1.951   1.349 -13.055
  133   2HE2  GLN  16          HE22      GLN  16  -0.942   0.136 -13.830
  134    H    CYS  17           HN       CYS  17  -1.184   3.627  -9.295
  135    HA   CYS  17           HA       CYS  17  -4.027   4.317 -10.026
  136   1HB   CYS  17          HB2       CYS  17  -4.396   1.957  -9.261
  137   2HB   CYS  17          HB3       CYS  17  -3.675   2.235 -10.864
  138    H    HIS  18           HN       HIS  18  -1.873   5.103  -7.679
  139    HA   HIS  18           HA       HIS  18  -4.067   5.237  -5.647
  140   1HB   HIS  18          HB2       HIS  18  -1.200   4.284  -5.227
  141   2HB   HIS  18          HB3       HIS  18  -2.203   4.885  -3.915
  142    HD1  HIS  18           HD1      HIS  18  -4.466   3.411  -3.322
  143    HD2  HIS  18           HD2      HIS  18  -1.293   1.704  -5.493
  144    HE1  HIS  18           HE1      HIS  18  -4.467   0.897  -2.818
  145    H    THR  19           HN       THR  19  -3.430   6.754  -3.888
  146    HA   THR  19           HA       THR  19  -1.720   9.020  -4.583
  147    HB   THR  19           HB       THR  19  -3.713  10.544  -3.975
  148    HG1  THR  19           HG1      THR  19  -5.727   9.707  -4.268
  149   1HG2  THR  19          HG21      THR  19  -4.535  10.675  -6.271
  150   2HG2  THR  19          HG22      THR  19  -2.811  10.305  -6.332
  151   3HG2  THR  19          HG23      THR  19  -4.048   9.028  -6.585
  152    H    VAL  20           HN       VAL  20  -1.096  10.016  -2.679
  153    HA   VAL  20           HA       VAL  20  -2.145   8.968  -0.089
  154    HB   VAL  20           HB       VAL  20   0.166   9.625   0.830
  155   1HG1  VAL  20          HG11      VAL  20   0.128   7.498  -1.341
  156   2HG1  VAL  20          HG12      VAL  20   1.358   7.674  -0.073
  157   3HG1  VAL  20          HG13      VAL  20  -0.306   7.290   0.374
  158   1HG2  VAL  20          HG21      VAL  20   0.967  11.155  -0.828
  159   2HG2  VAL  20          HG22      VAL  20   1.998   9.702  -0.854
  160   3HG2  VAL  20          HG23      VAL  20   0.828   9.942  -2.133
  161    H    GLU  21           HN       GLU  21  -1.948  11.674  -2.110
  162    HA   GLU  21           HA       GLU  21  -1.793  13.795  -0.142
  163   1HB   GLU  21          HB2       GLU  21  -2.333  15.089  -2.355
  164   2HB   GLU  21          HB3       GLU  21  -0.763  14.300  -2.226
  165   1HG   GLU  21          HG2       GLU  21  -1.387  12.515  -3.694
  166   2HG   GLU  21          HG3       GLU  21  -3.121  12.895  -3.516
  167    H    LYS  22           HN       LYS  22  -3.545  15.331   0.162
  168    HA   LYS  22           HA       LYS  22  -6.292  14.324  -0.014
  169   1HB   LYS  22          HB2       LYS  22  -5.191  17.100   0.491
  170   2HB   LYS  22          HB3       LYS  22  -6.907  16.662   0.427
  171   1HG   LYS  22          HG2       LYS  22  -6.326  14.835   2.206
  172   2HG   LYS  22          HG3       LYS  22  -4.821  15.750   2.435
  173   1HD   LYS  22          HD2       LYS  22  -6.240  17.803   2.729
  174   2HD   LYS  22          HD3       LYS  22  -7.692  16.783   2.663
  175   1HE   LYS  22          HE2       LYS  22  -6.825  15.471   4.631
  176   2HE   LYS  22          HE3       LYS  22  -5.454  16.584   4.749
  177   1HZ   LYS  22          HZ1       LYS  22  -8.301  17.299   5.047
  178   2HZ   LYS  22          HZ2       LYS  22  -7.037  18.351   5.172
  179   3HZ   LYS  22          HZ3       LYS  22  -7.213  17.136   6.267
  180    H    GLY  23           HN       GLY  23  -7.866  15.067  -1.589
  181   1HA   GLY  23          HA1       GLY  23  -8.595  16.011  -3.576
  182   2HA   GLY  23          HA2       GLY  23  -7.002  16.723  -3.850
  183    H    GLY  24           HN       GLY  24  -5.450  14.280  -3.676
  184   1HA   GLY  24          HA1       GLY  24  -5.376  13.373  -6.248
  185   2HA   GLY  24          HA2       GLY  24  -4.831  12.424  -4.886
  186    H    LYS  25           HN       LYS  25  -7.050  12.735  -7.253
  187    HA   LYS  25           HA       LYS  25  -9.372  11.516  -6.575
  188   1HB   LYS  25          HB2       LYS  25  -9.668  10.926  -8.947
  189   2HB   LYS  25          HB3       LYS  25  -8.980  12.539  -8.722
  190   1HG   LYS  25          HG2       LYS  25  -6.666  11.408  -9.084
  191   2HG   LYS  25          HG3       LYS  25  -7.568  10.016  -9.680
  192   1HD   LYS  25          HD2       LYS  25  -7.903  12.845 -10.780
  193   2HD   LYS  25          HD3       LYS  25  -6.681  11.718 -11.383
  194   1HE   LYS  25          HE2       LYS  25  -8.406  10.092 -12.038
  195   2HE   LYS  25          HE3       LYS  25  -9.683  11.136 -11.393
  196   1HZ   LYS  25          HZ1       LYS  25  -9.116  12.772 -13.037
  197   2HZ   LYS  25          HZ2       LYS  25  -7.876  11.855 -13.613
  198   3HZ   LYS  25          HZ3       LYS  25  -9.426  11.338 -13.775
  199    H    HIS  26           HN       HIS  26 -10.206   9.532  -6.226
  200    HA   HIS  26           HA       HIS  26  -8.736   7.120  -5.790
  201   1HB   HIS  26          HB2       HIS  26 -11.582   7.997  -6.015
  202   2HB   HIS  26          HB3       HIS  26 -11.284   6.400  -6.671
  203    HD1  HIS  26           HD1      HIS  26 -10.498   8.142  -3.259
  204    HD2  HIS  26           HD2      HIS  26 -11.591   4.507  -5.062
  205    HE1  HIS  26           HE1      HIS  26 -10.869   6.465  -1.360
  206    H    LYS  27           HN       LYS  27  -7.742   5.891  -7.295
  207    HA   LYS  27           HA       LYS  27  -8.435   6.140 -10.196
  208   1HB   LYS  27          HB2       LYS  27  -5.941   5.385  -8.669
  209   2HB   LYS  27          HB3       LYS  27  -6.082   5.248 -10.425
  210   1HG   LYS  27          HG2       LYS  27  -5.944   7.500 -10.805
  211   2HG   LYS  27          HG3       LYS  27  -6.546   7.940  -9.193
  212   1HD   LYS  27          HD2       LYS  27  -4.538   7.255  -8.109
  213   2HD   LYS  27          HD3       LYS  27  -3.920   6.477  -9.572
  214   1HE   LYS  27          HE2       LYS  27  -3.651   8.638 -10.691
  215   2HE   LYS  27          HE3       LYS  27  -4.266   9.468  -9.244
  216   1HZ   LYS  27          HZ1       LYS  27  -2.363   8.377  -8.038
  217   2HZ   LYS  27          HZ2       LYS  27  -1.897   9.480  -9.178
  218   3HZ   LYS  27          HZ3       LYS  27  -1.768   7.870  -9.446
  219    H    THR  28           HN       THR  28  -6.882   3.533 -10.546
  220    HA   THR  28           HA       THR  28  -8.931   1.677 -10.075
  221    HB   THR  28           HB       THR  28  -5.967   1.196 -10.518
  222    HG1  THR  28           HG1      THR  28  -8.145   1.714 -12.214
  223   1HG2  THR  28          HG21      THR  28  -8.367  -0.641 -10.882
  224   2HG2  THR  28          HG22      THR  28  -6.742  -0.949 -11.535
  225   3HG2  THR  28          HG23      THR  28  -6.989  -0.876  -9.788
  226    H    GLY  29           HN       GLY  29  -6.122   2.644  -8.036
  227   1HA   GLY  29          HA1       GLY  29  -7.028   0.791  -5.909
  228   2HA   GLY  29          HA2       GLY  29  -5.481   1.640  -5.995
  229    HA   PRO  30           HA       PRO  30  -8.834   4.376  -4.043
  230   1HB   PRO  30          HB2       PRO  30  -8.935   3.730  -1.411
  231   2HB   PRO  30          HB3       PRO  30  -9.812   2.813  -2.612
  232   1HG   PRO  30          HG2       PRO  30  -7.079   2.113  -1.500
  233   2HG   PRO  30          HG3       PRO  30  -8.522   1.063  -1.566
  234   1HD   PRO  30          HD2       PRO  30  -6.651   0.949  -3.520
  235   2HD   PRO  30          HD3       PRO  30  -8.381   0.865  -3.932
  236    H    ASN  31           HN       ASN  31  -8.423   6.236  -2.635
  237    HA   ASN  31           HA       ASN  31  -5.642   7.077  -2.598
  238   1HB   ASN  31          HB2       ASN  31  -7.487   8.619  -2.968
  239   2HB   ASN  31          HB3       ASN  31  -8.027   8.405  -1.292
  240   1HD2  ASN  31          HD21      ASN  31  -6.920  10.841  -2.801
  241   2HD2  ASN  31          HD22      ASN  31  -5.632  11.386  -1.738
  242    H    LEU  32           HN       LEU  32  -4.228   6.682  -0.979
  243    HA   LEU  32           HA       LEU  32  -4.829   4.934   1.332
  244   1HB   LEU  32          HB2       LEU  32  -2.412   6.569   0.455
  245   2HB   LEU  32          HB3       LEU  32  -2.393   5.384   1.750
  246    HG   LEU  32           HG       LEU  32  -2.935   4.851  -1.204
  247   1HD1  LEU  32          HD11      LEU  32  -0.823   3.533  -1.068
  248   2HD1  LEU  32          HD12      LEU  32  -0.590   5.258  -0.780
  249   3HD1  LEU  32          HD13      LEU  32  -0.586   4.126   0.591
  250   1HD2  LEU  32          HD21      LEU  32  -4.283   3.238  -0.046
  251   2HD2  LEU  32          HD22      LEU  32  -2.802   2.392  -0.496
  252   3HD2  LEU  32          HD23      LEU  32  -3.020   2.959   1.165
  253    H    HIS  33           HN       HIS  33  -4.319   8.451   0.885
  254    HA   HIS  33           HA       HIS  33  -3.956   9.993   2.781
  255   1HB   HIS  33          HB2       HIS  33  -5.664  10.620   1.280
  256   2HB   HIS  33          HB3       HIS  33  -6.776   9.380   1.880
  257    HD1  HIS  33           HD1      HIS  33  -8.622  10.403   3.310
  258    HD2  HIS  33           HD2      HIS  33  -5.013  12.567   3.385
  259    HE1  HIS  33           HE1      HIS  33  -9.051  12.489   4.720
  260    H    GLY  34           HN       GLY  34  -3.060   9.026   4.585
  261   1HA   GLY  34          HA1       GLY  34  -3.021   8.420   6.810
  262   2HA   GLY  34          HA2       GLY  34  -4.767   8.679   6.894
  263    H    LEU  35           HN       LEU  35  -2.498   6.405   5.249
  264    HA   LEU  35           HA       LEU  35  -4.346   4.172   5.350
  265   1HB   LEU  35          HB2       LEU  35  -2.809   4.323   3.552
  266   2HB   LEU  35          HB3       LEU  35  -1.424   4.519   4.633
  267    HG   LEU  35           HG       LEU  35  -1.789   2.110   5.396
  268   1HD1  LEU  35          HD11      LEU  35  -3.760   2.066   3.084
  269   2HD1  LEU  35          HD12      LEU  35  -3.095   0.652   3.921
  270   3HD1  LEU  35          HD13      LEU  35  -4.118   1.797   4.798
  271   1HD2  LEU  35          HD21      LEU  35  -1.229   2.584   2.445
  272   2HD2  LEU  35          HD22      LEU  35  -0.063   2.837   3.748
  273   3HD2  LEU  35          HD23      LEU  35  -0.698   1.215   3.431
  274    H    PHE  36           HN       PHE  36  -1.113   4.689   6.897
  275    HA   PHE  36           HA       PHE  36  -1.206   2.369   8.446
  276   1HB   PHE  36          HB2       PHE  36   0.274   4.956   8.980
  277   2HB   PHE  36          HB3       PHE  36   0.671   3.364   9.625
  278    HD1  PHE  36           HD1      PHE  36   2.591   5.141   8.199
  279    HD2  PHE  36           HD2      PHE  36   0.089   1.939   6.752
  280    HE1  PHE  36           HE1      PHE  36   4.315   4.476   6.479
  281    HE2  PHE  36           HE2      PHE  36   1.702   1.490   4.960
  282    HZ   PHE  36           HZ       PHE  36   3.928   2.675   4.993
  283    H    GLY  37           HN       GLY  37  -2.271   1.807  10.120
  284   1HA   GLY  37          HA1       GLY  37  -3.088   2.185  12.377
  285   2HA   GLY  37          HA2       GLY  37  -3.498   3.851  11.958
  286    H    ARG  38           HN       ARG  38  -4.433   2.446   9.159
  287    HA   ARG  38           HA       ARG  38  -7.181   1.890  10.149
  288   1HB   ARG  38          HB2       ARG  38  -6.128   2.448   7.341
  289   2HB   ARG  38          HB3       ARG  38  -7.785   2.139   7.824
  290   1HG   ARG  38          HG2       ARG  38  -7.380   4.141   9.518
  291   2HG   ARG  38          HG3       ARG  38  -6.082   4.522   8.379
  292   1HD   ARG  38          HD2       ARG  38  -9.086   4.261   7.819
  293   2HD   ARG  38          HD3       ARG  38  -8.125   5.735   7.809
  294    HE   ARG  38           HE       ARG  38  -7.727   3.414   5.919
  295   1HH1  ARG  38          HH22      ARG  38  -8.014   6.918   6.301
  296   2HH1  ARG  38          HH21      ARG  38  -7.177   7.286   4.842
  297   1HH2  ARG  38          HH12      ARG  38  -6.874   3.879   3.837
  298   2HH2  ARG  38          HH11      ARG  38  -6.460   5.527   3.476
  299    H    LYS  39           HN       LYS  39  -8.305   0.200   8.974
  300    HA   LYS  39           HA       LYS  39  -6.630  -2.173   8.747
  301   1HB   LYS  39          HB2       LYS  39  -9.662  -1.937   8.768
  302   2HB   LYS  39          HB3       LYS  39  -8.730  -3.437   8.852
  303   1HG   LYS  39          HG2       LYS  39  -7.648  -2.557  10.980
  304   2HG   LYS  39          HG3       LYS  39  -8.834  -1.234  10.951
  305   1HD   LYS  39          HD2       LYS  39 -10.657  -3.018  10.824
  306   2HD   LYS  39          HD3       LYS  39  -9.382  -4.232  11.066
  307   1HE   LYS  39          HE2       LYS  39  -8.759  -3.085  13.224
  308   2HE   LYS  39          HE3       LYS  39 -10.112  -1.962  12.988
  309   1HZ   LYS  39          HZ1       LYS  39 -11.599  -3.863  13.056
  310   2HZ   LYS  39          HZ2       LYS  39 -10.330  -4.884  13.304
  311   3HZ   LYS  39          HZ3       LYS  39 -10.715  -3.754  14.437
  312    H    THR  40           HN       THR  40  -7.294  -3.828   7.205
  313    HA   THR  40           HA       THR  40  -6.957  -3.263   4.476
  314    HB   THR  40           HB       THR  40  -8.115  -5.502   4.335
  315    HG1  THR  40           HG1      THR  40  -9.322  -5.190   6.236
  316   1HG2  THR  40          HG21      THR  40  -5.681  -5.430   4.493
  317   2HG2  THR  40          HG22      THR  40  -5.739  -5.129   6.243
  318   3HG2  THR  40          HG23      THR  40  -6.237  -6.696   5.593
  319    H    GLY  41           HN       GLY  41  -8.276  -1.891   3.332
  320   1HA   GLY  41          HA1       GLY  41 -10.101  -1.371   2.084
  321   2HA   GLY  41          HA2       GLY  41 -10.973  -2.735   2.799
  322    H    GLN  42           HN       GLN  42  -9.603   0.313   4.096
  323    HA   GLN  42           HA       GLN  42 -12.256   1.050   5.304
  324   1HB   GLN  42          HB2       GLN  42  -9.383   1.866   5.841
  325   2HB   GLN  42          HB3       GLN  42 -10.751   2.787   6.474
  326   1HG   GLN  42          HG2       GLN  42 -10.327  -0.189   6.984
  327   2HG   GLN  42          HG3       GLN  42  -9.818   1.119   8.072
  328   1HE2  GLN  42          HE21      GLN  42 -11.530  -0.873   9.016
  329   2HE2  GLN  42          HE22      GLN  42 -13.072  -0.095   9.340
  330    H    ALA  43           HN       ALA  43  -9.776   2.200   3.002
  331    HA   ALA  43           HA       ALA  43 -10.438   4.895   2.926
  332   1HB   ALA  43          HB1       ALA  43  -9.441   4.857   0.647
  333   2HB   ALA  43          HB2       ALA  43  -8.460   3.997   1.852
  334   3HB   ALA  43          HB3       ALA  43  -9.454   3.075   0.710
  335    HA   PRO  44           HA       PRO  44 -14.594   4.160   1.324
  336   1HB   PRO  44          HB2       PRO  44 -15.690   6.643   1.506
  337   2HB   PRO  44          HB3       PRO  44 -15.342   5.615   2.926
  338   1HG   PRO  44          HG2       PRO  44 -13.629   7.845   1.803
  339   2HG   PRO  44          HG3       PRO  44 -14.119   7.591   3.504
  340   1HD   PRO  44          HD2       PRO  44 -11.699   6.768   2.550
  341   2HD   PRO  44          HD3       PRO  44 -12.593   5.797   3.762
  342    H    GLY  45           HN       GLY  45 -14.932   3.794  -0.790
  343   1HA   GLY  45          HA1       GLY  45 -15.675   5.370  -2.748
  344   2HA   GLY  45          HA2       GLY  45 -13.934   5.644  -2.890
  345    H    PHE  46           HN       PHE  46 -12.590   3.504  -2.805
  346    HA   PHE  46           HA       PHE  46 -13.483   2.028  -5.041
  347   1HB   PHE  46          HB2       PHE  46 -11.052   2.386  -4.405
  348   2HB   PHE  46          HB3       PHE  46 -11.252   1.210  -3.115
  349    HD1  PHE  46           HD1      PHE  46 -10.961  -1.141  -3.615
  350    HD2  PHE  46           HD2      PHE  46 -11.576   1.677  -6.833
  351    HE1  PHE  46           HE1      PHE  46 -10.666  -2.957  -5.274
  352    HE2  PHE  46           HE2      PHE  46 -11.310  -0.153  -8.473
  353    HZ   PHE  46           HZ       PHE  46 -10.838  -2.471  -7.695
  354    H    THR  47           HN       THR  47 -14.188  -0.216  -5.218
  355    HA   THR  47           HA       THR  47 -15.677  -1.266  -2.944
  356    HB   THR  47           HB       THR  47 -15.241  -2.473  -5.709
  357    HG1  THR  47           HG1      THR  47 -17.174  -1.387  -6.184
  358   1HG2  THR  47          HG21      THR  47 -17.399  -3.576  -5.250
  359   2HG2  THR  47          HG22      THR  47 -16.193  -4.043  -4.043
  360   3HG2  THR  47          HG23      THR  47 -17.443  -2.849  -3.630
  361    H    TYR  48           HN       TYR  48 -14.417  -2.274  -1.338
  362    HA   TYR  48           HA       TYR  48 -11.949  -3.568  -1.795
  363   1HB   TYR  48          HB2       TYR  48 -13.779  -4.395   0.461
  364   2HB   TYR  48          HB3       TYR  48 -12.047  -4.124   0.458
  365    HD1  TYR  48           HD1      TYR  48 -11.405  -1.547  -0.234
  366    HD2  TYR  48           HD2      TYR  48 -15.076  -2.835   1.630
  367    HE1  TYR  48           HE1      TYR  48 -11.882   0.776   0.432
  368    HE2  TYR  48           HE2      TYR  48 -15.567  -0.491   2.267
  369    HH   TYR  48           HH       TYR  48 -13.439   2.185   1.277
  370    H    THR  49           HN       THR  49 -11.675  -6.021  -1.109
  371    HA   THR  49           HA       THR  49 -13.702  -7.715  -2.493
  372    HB   THR  49           HB       THR  49 -11.816  -9.250  -2.817
  373    HG1  THR  49           HG1      THR  49  -9.684  -8.184  -2.408
  374   1HG2  THR  49          HG21      THR  49 -10.628  -7.956  -4.527
  375   2HG2  THR  49          HG22      THR  49 -12.339  -7.497  -4.534
  376   3HG2  THR  49          HG23      THR  49 -11.133  -6.427  -3.794
  377    H    ASP  50           HN       ASP  50 -14.198  -9.751  -1.530
  378    HA   ASP  50           HA       ASP  50 -14.728  -9.896   1.192
  379   1HB   ASP  50          HB2       ASP  50 -15.656 -11.513  -0.389
  380   2HB   ASP  50          HB3       ASP  50 -14.055 -12.185  -0.730
  381    H    ALA  51           HN       ALA  51 -12.056 -11.500  -0.449
  382    HA   ALA  51           HA       ALA  51 -10.571 -12.483   1.539
  383   1HB   ALA  51          HB1       ALA  51 -10.105 -12.792  -0.859
  384   2HB   ALA  51          HB2       ALA  51  -9.489 -11.131  -0.976
  385   3HB   ALA  51          HB3       ALA  51  -8.633 -12.345   0.013
  386    H    ASN  52           HN       ASN  52 -10.210  -9.082   0.311
  387    HA   ASN  52           HA       ASN  52  -8.099  -8.408   2.085
  388   1HB   ASN  52          HB2       ASN  52  -8.978  -7.090   0.042
  389   2HB   ASN  52          HB3       ASN  52 -10.233  -6.462   1.114
  390   1HD2  ASN  52          HD21      ASN  52  -9.327  -4.292   0.717
  391   2HD2  ASN  52          HD22      ASN  52  -7.812  -3.818   1.447
  392    H    LYS  53           HN       LYS  53 -11.648  -8.226   2.397
  393    HA   LYS  53           HA       LYS  53 -11.655  -7.055   5.016
  394   1HB   LYS  53          HB2       LYS  53 -13.541  -7.280   3.160
  395   2HB   LYS  53          HB3       LYS  53 -13.898  -8.803   3.992
  396   1HG   LYS  53          HG2       LYS  53 -14.077  -7.495   6.149
  397   2HG   LYS  53          HG3       LYS  53 -13.803  -6.010   5.208
  398   1HD   LYS  53          HD2       LYS  53 -15.806  -6.635   3.783
  399   2HD   LYS  53          HD3       LYS  53 -16.112  -7.981   4.901
  400   1HE   LYS  53          HE2       LYS  53 -16.274  -6.314   6.792
  401   2HE   LYS  53          HE3       LYS  53 -16.027  -5.001   5.626
  402   1HZ   LYS  53          HZ1       LYS  53 -18.062  -5.684   4.532
  403   2HZ   LYS  53          HZ2       LYS  53 -18.297  -6.881   5.639
  404   3HZ   LYS  53          HZ3       LYS  53 -18.336  -5.305   6.107
  405    H    ASN  54           HN       ASN  54 -11.628 -10.409   3.822
  406    HA   ASN  54           HA       ASN  54 -12.126 -11.797   6.232
  407   1HB   ASN  54          HB2       ASN  54 -11.993 -12.657   3.828
  408   2HB   ASN  54          HB3       ASN  54 -10.233 -12.638   3.988
  409   1HD2  ASN  54          HD21      ASN  54 -12.567 -14.766   3.823
  410   2HD2  ASN  54          HD22      ASN  54 -11.999 -15.953   4.991
  411    H    LYS  55           HN       LYS  55  -9.168 -10.543   4.747
  412    HA   LYS  55           HA       LYS  55  -7.318 -11.408   6.668
  413   1HB   LYS  55          HB2       LYS  55  -7.243 -10.107   4.250
  414   2HB   LYS  55          HB3       LYS  55  -6.780  -8.788   5.304
  415   1HG   LYS  55          HG2       LYS  55  -5.521 -11.562   5.388
  416   2HG   LYS  55          HG3       LYS  55  -4.990 -10.319   4.259
  417   1HD   LYS  55          HD2       LYS  55  -4.441  -8.771   5.989
  418   2HD   LYS  55          HD3       LYS  55  -4.994  -9.869   7.263
  419   1HE   LYS  55          HE2       LYS  55  -2.642 -10.168   5.348
  420   2HE   LYS  55          HE3       LYS  55  -2.540  -9.948   7.101
  421   1HZ   LYS  55          HZ1       LYS  55  -3.660 -12.160   7.249
  422   2HZ   LYS  55          HZ2       LYS  55  -3.463 -12.294   5.603
  423   3HZ   LYS  55          HZ3       LYS  55  -2.150 -12.197   6.583
  424    H    GLY  56           HN       GLY  56  -8.838  -8.125   6.474
  425   1HA   GLY  56          HA1       GLY  56  -9.669  -6.805   8.150
  426   2HA   GLY  56          HA2       GLY  56  -9.750  -8.286   9.085
  427    H    ILE  57           HN       ILE  57  -6.514  -7.298   8.270
  428    HA   ILE  57           HA       ILE  57  -5.969  -6.720  11.123
  429    HB   ILE  57           HB       ILE  57  -3.604  -6.654  10.422
  430   1HG1  ILE  57          HG12      ILE  57  -4.550  -7.423   7.646
  431   2HG1  ILE  57          HG13      ILE  57  -4.145  -5.765   8.061
  432   1HG2  ILE  57          HG21      ILE  57  -5.102  -9.119   9.457
  433   2HG2  ILE  57          HG22      ILE  57  -3.389  -9.047   9.910
  434   3HG2  ILE  57          HG23      ILE  57  -4.637  -8.758  11.125
  435   1HD1  ILE  57          HD11      ILE  57  -2.160  -8.036   8.304
  436   2HD1  ILE  57          HD12      ILE  57  -2.272  -6.845   6.987
  437   3HD1  ILE  57          HD13      ILE  57  -1.895  -6.314   8.636
  438    H    THR  58           HN       THR  58  -4.396  -4.893  11.570
  439    HA   THR  58           HA       THR  58  -5.187  -2.366  10.260
  440    HB   THR  58           HB       THR  58  -3.550  -2.777  12.770
  441    HG1  THR  58           HG1      THR  58  -5.527  -2.451  13.842
  442   1HG2  THR  58          HG21      THR  58  -3.428  -0.509  11.730
  443   2HG2  THR  58          HG22      THR  58  -5.204  -0.437  11.730
  444   3HG2  THR  58          HG23      THR  58  -4.313  -0.465  13.263
  445    H    TRP  59           HN       TRP  59  -3.653  -1.150   9.097
  446    HA   TRP  59           HA       TRP  59  -1.177  -2.545   8.344
  447   1HB   TRP  59          HB2       TRP  59  -2.379   0.100   7.465
  448   2HB   TRP  59          HB3       TRP  59  -0.925  -0.633   6.795
  449    HD1  TRP  59           HD1      TRP  59  -4.579  -0.546   6.366
  450    HE1  TRP  59           HE1      TRP  59  -5.264  -2.101   4.457
  451    HE3  TRP  59           HE3      TRP  59  -0.295  -3.299   5.979
  452    HZ2  TRP  59           HZ2      TRP  59  -4.147  -4.455   3.064
  453    HZ3  TRP  59           HZ3      TRP  59  -0.101  -5.149   4.336
  454    HH2  TRP  59           HH2      TRP  59  -2.009  -5.711   2.811
  455    H    LYS  60           HN       LYS  60   0.825  -2.044   9.015
  456    HA   LYS  60           HA       LYS  60   1.348   0.524  10.468
  457   1HB   LYS  60          HB2       LYS  60   3.124  -0.986  11.725
  458   2HB   LYS  60          HB3       LYS  60   1.513  -0.753  12.309
  459   1HG   LYS  60          HG2       LYS  60   0.732  -2.887  11.507
  460   2HG   LYS  60          HG3       LYS  60   2.287  -3.214  10.716
  461   1HD   LYS  60          HD2       LYS  60   3.440  -3.087  12.893
  462   2HD   LYS  60          HD3       LYS  60   1.915  -2.692  13.705
  463   1HE   LYS  60          HE2       LYS  60   0.983  -4.903  13.129
  464   2HE   LYS  60          HE3       LYS  60   2.436  -5.288  12.184
  465   1HZ   LYS  60          HZ1       LYS  60   2.439  -4.845  15.089
  466   2HZ   LYS  60          HZ2       LYS  60   2.586  -6.299  14.314
  467   3HZ   LYS  60          HZ3       LYS  60   3.741  -5.156  14.138
  468    H    GLU  61           HN       GLU  61   3.712  -1.951   9.945
  469    HA   GLU  61           HA       GLU  61   4.756  -0.787   7.462
  470   1HB   GLU  61          HB2       GLU  61   7.042  -0.520   8.569
  471   2HB   GLU  61          HB3       GLU  61   5.795   0.700   8.792
  472   1HG   GLU  61          HG2       GLU  61   5.358  -0.626  11.094
  473   2HG   GLU  61          HG3       GLU  61   7.035  -1.116  10.824
  474    H    GLU  62           HN       GLU  62   5.409  -3.057  10.137
  475    HA   GLU  62           HA       GLU  62   6.771  -5.117   8.779
  476   1HB   GLU  62          HB2       GLU  62   4.508  -5.340  10.824
  477   2HB   GLU  62          HB3       GLU  62   5.630  -6.637  10.414
  478   1HG   GLU  62          HG2       GLU  62   7.479  -5.490  11.412
  479   2HG   GLU  62          HG3       GLU  62   6.571  -3.980  11.590
  480    H    THR  63           HN       THR  63   3.261  -4.504   8.989
  481    HA   THR  63           HA       THR  63   2.327  -6.778   7.653
  482    HB   THR  63           HB       THR  63   0.304  -5.224   7.281
  483    HG1  THR  63           HG1      THR  63   1.493  -3.259   7.269
  484   1HG2  THR  63          HG21      THR  63   0.488  -6.663   9.250
  485   2HG2  THR  63          HG22      THR  63   1.525  -5.483  10.064
  486   3HG2  THR  63          HG23      THR  63  -0.166  -5.080   9.722
  487    H    LEU  64           HN       LEU  64   3.539  -3.665   6.354
  488    HA   LEU  64           HA       LEU  64   2.596  -4.313   3.651
  489   1HB   LEU  64          HB2       LEU  64   4.370  -2.083   4.535
  490   2HB   LEU  64          HB3       LEU  64   3.626  -2.301   2.959
  491    HG   LEU  64           HG       LEU  64   1.446  -2.584   4.677
  492   1HD1  LEU  64          HD11      LEU  64   2.774  -1.749   6.584
  493   2HD1  LEU  64          HD12      LEU  64   3.163  -0.280   5.677
  494   3HD1  LEU  64          HD13      LEU  64   1.484  -0.619   6.161
  495   1HD2  LEU  64          HD21      LEU  64   1.444  -1.442   2.516
  496   2HD2  LEU  64          HD22      LEU  64   0.697  -0.462   3.785
  497   3HD2  LEU  64          HD23      LEU  64   2.344  -0.077   3.218
  498    H    MET  65           HN       MET  65   5.659  -4.149   5.492
  499    HA   MET  65           HA       MET  65   7.514  -5.032   3.583
  500   1HB   MET  65          HB2       MET  65   7.185  -5.082   6.520
  501   2HB   MET  65          HB3       MET  65   8.148  -6.420   5.940
  502   1HG   MET  65          HG2       MET  65   9.706  -4.867   4.867
  503   2HG   MET  65          HG3       MET  65   8.613  -3.517   5.163
  504   1HE   MET  65          HE1       MET  65  10.982  -6.125   6.751
  505   2HE   MET  65          HE2       MET  65   9.556  -6.377   7.792
  506   3HE   MET  65          HE3       MET  65  11.026  -5.635   8.462
  507    H    GLU  66           HN       GLU  66   5.199  -6.970   5.475
  508    HA   GLU  66           HA       GLU  66   6.043  -9.404   4.245
  509   1HB   GLU  66          HB2       GLU  66   5.071  -8.931   6.568
  510   2HB   GLU  66          HB3       GLU  66   3.480  -9.012   5.812
  511   1HG   GLU  66          HG2       GLU  66   3.912 -11.352   5.179
  512   2HG   GLU  66          HG3       GLU  66   5.618 -11.197   5.634
  513    H    TYR  67           HN       TYR  67   3.298  -7.202   3.730
  514    HA   TYR  67           HA       TYR  67   1.683  -8.873   2.023
  515   1HB   TYR  67          HB2       TYR  67   0.567  -7.092   3.157
  516   2HB   TYR  67          HB3       TYR  67   1.785  -5.936   2.668
  517    HD1  TYR  67           HD1      TYR  67   1.147  -4.299   1.160
  518    HD2  TYR  67           HD2      TYR  67  -0.696  -8.191   0.961
  519    HE1  TYR  67           HE1      TYR  67  -0.365  -3.493  -0.632
  520    HE2  TYR  67           HE2      TYR  67  -2.119  -7.392  -0.927
  521    HH   TYR  67           HH       TYR  67  -2.028  -4.289  -2.364
  522    H    LEU  68           HN       LEU  68   3.734  -5.984   1.398
  523    HA   LEU  68           HA       LEU  68   3.662  -6.090  -1.429
  524   1HB   LEU  68          HB2       LEU  68   5.791  -5.122   0.480
  525   2HB   LEU  68          HB3       LEU  68   5.816  -4.813  -1.250
  526    HG   LEU  68           HG       LEU  68   3.527  -3.920   0.562
  527   1HD1  LEU  68          HD11      LEU  68   4.588  -1.691   0.520
  528   2HD1  LEU  68          HD12      LEU  68   5.628  -2.884   1.311
  529   3HD1  LEU  68          HD13      LEU  68   5.984  -2.368  -0.349
  530   1HD2  LEU  68          HD21      LEU  68   2.926  -4.024  -1.834
  531   2HD2  LEU  68          HD22      LEU  68   3.096  -2.345  -1.325
  532   3HD2  LEU  68          HD23      LEU  68   4.396  -3.118  -2.252
  533    H    GLU  69           HN       GLU  69   5.280  -8.269   0.846
  534    HA   GLU  69           HA       GLU  69   7.162  -9.162  -1.233
  535   1HB   GLU  69          HB2       GLU  69   7.650  -9.406   1.194
  536   2HB   GLU  69          HB3       GLU  69   6.428 -10.676   1.296
  537   1HG   GLU  69          HG2       GLU  69   7.621 -12.124  -0.164
  538   2HG   GLU  69          HG3       GLU  69   8.627 -10.826  -0.806
  539    H    ASN  70           HN       ASN  70   3.950 -10.182  -0.055
  540    HA   ASN  70           HA       ASN  70   3.452 -11.777  -2.480
  541   1HB   ASN  70          HB2       ASN  70   4.138 -13.082   0.138
  542   2HB   ASN  70          HB3       ASN  70   2.726 -13.688  -0.725
  543   1HD2  ASN  70          HD21      ASN  70   6.227 -13.532  -0.870
  544   2HD2  ASN  70          HD22      ASN  70   6.351 -14.655  -2.208
  545    HA   PRO  71           HA       PRO  71  -0.138  -9.545  -0.813
  546   1HB   PRO  71          HB2       PRO  71  -1.576  -9.443  -3.186
  547   2HB   PRO  71          HB3       PRO  71  -0.329  -8.259  -2.702
  548   1HG   PRO  71          HG2       PRO  71  -0.006 -10.647  -4.517
  549   2HG   PRO  71          HG3       PRO  71   0.576  -8.981  -4.777
  550   1HD   PRO  71          HD2       PRO  71   2.196 -10.896  -3.874
  551   2HD   PRO  71          HD3       PRO  71   2.333  -9.255  -3.181
  552    H    LYS  72           HN       LYS  72  -0.024 -12.430  -2.945
  553    HA   LYS  72           HA       LYS  72  -2.554 -13.436  -2.233
  554   1HB   LYS  72          HB2       LYS  72  -1.815 -15.492  -3.162
  555   2HB   LYS  72          HB3       LYS  72  -1.359 -14.147  -4.208
  556   1HG   LYS  72          HG2       LYS  72   0.990 -14.303  -3.438
  557   2HG   LYS  72          HG3       LYS  72   0.549 -15.582  -2.289
  558   1HD   LYS  72          HD2       LYS  72  -0.204 -17.021  -4.142
  559   2HD   LYS  72          HD3       LYS  72   0.256 -15.762  -5.311
  560   1HE   LYS  72          HE2       LYS  72   2.616 -15.905  -4.574
  561   2HE   LYS  72          HE3       LYS  72   2.185 -17.088  -3.330
  562   1HZ   LYS  72          HZ1       LYS  72   1.534 -18.601  -5.078
  563   2HZ   LYS  72          HZ2       LYS  72   1.940 -17.501  -6.236
  564   3HZ   LYS  72          HZ3       LYS  72   3.100 -18.135  -5.259
  565    H    LYS  73           HN       LYS  73   0.520 -13.577  -0.436
  566    HA   LYS  73           HA       LYS  73  -0.377 -15.904   1.146
  567   1HB   LYS  73          HB2       LYS  73   2.032 -15.554   0.704
  568   2HB   LYS  73          HB3       LYS  73   1.979 -14.017   1.598
  569   1HG   LYS  73          HG2       LYS  73   1.338 -15.204   3.656
  570   2HG   LYS  73          HG3       LYS  73   1.237 -16.737   2.771
  571   1HD   LYS  73          HD2       LYS  73   3.661 -16.607   2.269
  572   2HD   LYS  73          HD3       LYS  73   3.759 -15.053   3.130
  573   1HE   LYS  73          HE2       LYS  73   3.009 -16.166   5.233
  574   2HE   LYS  73          HE3       LYS  73   2.896 -17.716   4.382
  575   1HZ   LYS  73          HZ1       LYS  73   5.273 -17.598   4.008
  576   2HZ   LYS  73          HZ2       LYS  73   5.365 -16.158   4.807
  577   3HZ   LYS  73          HZ3       LYS  73   4.928 -17.518   5.613
  578    H    TYR  74           HN       TYR  74  -0.082 -12.359   1.448
  579    HA   TYR  74           HA       TYR  74  -1.160 -12.341   4.131
  580   1HB   TYR  74          HB2       TYR  74  -0.160 -10.387   2.194
  581   2HB   TYR  74          HB3       TYR  74  -1.671  -9.823   2.880
  582    HD1  TYR  74           HD1      TYR  74   1.087 -11.867   4.446
  583    HD2  TYR  74           HD2      TYR  74  -1.080  -8.132   4.453
  584    HE1  TYR  74           HE1      TYR  74   1.731 -11.476   6.782
  585    HE2  TYR  74           HE2      TYR  74  -0.050  -7.569   6.638
  586    HH   TYR  74           HH       TYR  74   2.278  -9.698   8.225
  587    H    ILE  75           HN       ILE  75  -2.636 -11.665   0.966
  588    HA   ILE  75           HA       ILE  75  -5.357 -11.980   2.160
  589    HB   ILE  75           HB       ILE  75  -4.351 -10.260  -0.115
  590   1HG1  ILE  75          HG12      ILE  75  -5.729  -9.210   2.364
  591   2HG1  ILE  75          HG13      ILE  75  -3.990  -9.533   2.405
  592   1HG2  ILE  75          HG21      ILE  75  -6.643 -11.110  -0.585
  593   2HG2  ILE  75          HG22      ILE  75  -7.145 -10.622   1.042
  594   3HG2  ILE  75          HG23      ILE  75  -6.714  -9.397  -0.165
  595   1HD1  ILE  75          HD11      ILE  75  -3.578  -8.089   0.551
  596   2HD1  ILE  75          HD12      ILE  75  -5.299  -7.683   0.396
  597   3HD1  ILE  75          HD13      ILE  75  -4.397  -7.211   1.853
  598    HA   PRO  76           HA       PRO  76  -4.560 -15.437  -0.802
  599   1HB   PRO  76          HB2       PRO  76  -6.357 -17.256   0.161
  600   2HB   PRO  76          HB3       PRO  76  -4.755 -16.949   0.888
  601   1HG   PRO  76          HG2       PRO  76  -7.423 -15.833   1.759
  602   2HG   PRO  76          HG3       PRO  76  -6.135 -16.552   2.778
  603   1HD   PRO  76          HD2       PRO  76  -6.442 -13.865   2.479
  604   2HD   PRO  76          HD3       PRO  76  -4.814 -14.597   2.632
  605    H    GLY  77           HN       GLY  77  -5.274 -14.127  -2.486
  606   1HA   GLY  77          HA1       GLY  77  -6.635 -14.882  -4.436
  607   2HA   GLY  77          HA2       GLY  77  -8.071 -14.793  -3.416
  608    H    THR  78           HN       THR  78  -5.252 -12.659  -4.257
  609    HA   THR  78           HA       THR  78  -6.947 -10.258  -4.314
  610    HB   THR  78           HB       THR  78  -4.587  -9.287  -4.803
  611    HG1  THR  78           HG1      THR  78  -3.482 -10.992  -5.545
  612   1HG2  THR  78          HG21      THR  78  -3.784  -9.724  -2.474
  613   2HG2  THR  78          HG22      THR  78  -5.094 -10.901  -2.299
  614   3HG2  THR  78          HG23      THR  78  -5.476  -9.190  -2.567
  615    H    LYS  79           HN       LYS  79  -6.271  -8.765  -6.247
  616    HA   LYS  79           HA       LYS  79  -6.225 -10.061  -8.870
  617   1HB   LYS  79          HB2       LYS  79  -5.578  -7.292  -7.807
  618   2HB   LYS  79          HB3       LYS  79  -5.276  -7.720  -9.494
  619   1HG   LYS  79          HG2       LYS  79  -8.013  -8.220  -8.266
  620   2HG   LYS  79          HG3       LYS  79  -7.558  -6.601  -8.796
  621   1HD   LYS  79          HD2       LYS  79  -7.082  -7.383 -11.056
  622   2HD   LYS  79          HD3       LYS  79  -7.411  -9.068 -10.598
  623   1HE   LYS  79          HE2       LYS  79  -9.758  -8.559 -10.150
  624   2HE   LYS  79          HE3       LYS  79  -9.482  -6.828 -10.406
  625   1HZ   LYS  79          HZ1       LYS  79  -9.203  -8.908 -12.477
  626   2HZ   LYS  79          HZ2       LYS  79 -10.468  -7.872 -12.316
  627   3HZ   LYS  79          HZ3       LYS  79  -8.980  -7.290 -12.696
  628    H    MET  80           HN       MET  80  -4.160  -9.785 -10.209
  629    HA   MET  80           HA       MET  80  -2.709 -11.808  -9.022
  630   1HB   MET  80          HB3       MET  80  -3.351 -11.836 -11.258
  631   2HB   MET  80          HB2       MET  80  -2.356 -10.482 -11.704
  632   1HG   MET  80          HG2       MET  80  -0.351 -12.010 -10.871
  633   2HG   MET  80          HG3       MET  80  -1.551 -13.299 -10.861
  634   1HE   MET  80          HE1       MET  80  -2.473 -13.452 -14.712
  635   2HE   MET  80          HE2       MET  80  -2.887 -14.037 -13.083
  636   3HE   MET  80          HE3       MET  80  -3.275 -12.363 -13.562
  637    H    ILE  81           HN       ILE  81   0.454  -9.274  -8.840
  638    HA   ILE  81           HA       ILE  81  -0.424  -9.799 -11.480
  639    HB   ILE  81           HB       ILE  81  -2.253  -8.217 -10.831
  640   1HG1  ILE  81          HG12      ILE  81  -0.363  -7.033 -12.904
  641   2HG1  ILE  81          HG13      ILE  81  -1.288  -8.518 -13.159
  642   1HG2  ILE  81          HG21      ILE  81  -0.114  -6.057 -10.661
  643   2HG2  ILE  81          HG22      ILE  81  -1.855  -5.889 -10.408
  644   3HG2  ILE  81          HG23      ILE  81  -0.893  -6.800  -9.243
  645   1HD1  ILE  81          HD11      ILE  81  -2.487  -5.775 -12.623
  646   2HD1  ILE  81          HD12      ILE  81  -3.405  -7.294 -12.773
  647   3HD1  ILE  81          HD13      ILE  81  -2.478  -6.671 -14.151
  648    H    PHE  82           HN       PHE  82   1.286  -7.492  -9.413
  649    HA   PHE  82           HA       PHE  82   3.739  -8.199 -10.942
  650   1HB   PHE  82          HB2       PHE  82   4.893  -6.519  -9.923
  651   2HB   PHE  82          HB3       PHE  82   3.372  -5.749 -10.314
  652    HD1  PHE  82           HD1      PHE  82   5.826  -6.190  -7.818
  653    HD2  PHE  82           HD2      PHE  82   1.567  -5.654  -8.324
  654    HE1  PHE  82           HE1      PHE  82   5.661  -5.231  -5.564
  655    HE2  PHE  82           HE2      PHE  82   1.406  -4.806  -6.004
  656    HZ   PHE  82           HZ       PHE  82   3.449  -4.585  -4.617
  657    H    ALA  83           HN       ALA  83   5.341  -9.364  -9.649
  658    HA   ALA  83           HA       ALA  83   4.141 -11.447  -8.136
  659   1HB   ALA  83          HB1       ALA  83   7.078 -10.639  -8.341
  660   2HB   ALA  83          HB2       ALA  83   6.460 -12.187  -7.727
  661   3HB   ALA  83          HB3       ALA  83   6.209 -11.745  -9.427
  662    H    GLY  84           HN       GLY  84   6.328  -8.806  -7.084
  663   1HA   GLY  84          HA1       GLY  84   5.048  -7.908  -4.841
  664   2HA   GLY  84          HA2       GLY  84   6.003  -9.295  -4.268
  665    H    ILE  85           HN       ILE  85   6.671  -6.693  -3.434
  666    HA   ILE  85           HA       ILE  85   8.949  -5.702  -5.037
  667    HB   ILE  85           HB       ILE  85   8.136  -5.043  -2.212
  668   1HG1  ILE  85          HG12      ILE  85   6.333  -4.329  -3.671
  669   2HG1  ILE  85          HG13      ILE  85   7.181  -2.976  -2.949
  670   1HG2  ILE  85          HG21      ILE  85  10.509  -4.535  -2.703
  671   2HG2  ILE  85          HG22      ILE  85  10.054  -3.668  -4.163
  672   3HG2  ILE  85          HG23      ILE  85   9.595  -3.027  -2.571
  673   1HD1  ILE  85          HD11      ILE  85   8.339  -2.451  -5.014
  674   2HD1  ILE  85          HD12      ILE  85   7.695  -3.909  -5.807
  675   3HD1  ILE  85          HD13      ILE  85   6.608  -2.592  -5.337
  676    H    LYS  86           HN       LYS  86  10.036  -7.672  -5.241
  677    HA   LYS  86           HA       LYS  86  10.749  -9.439  -3.247
  678   1HB   LYS  86          HB2       LYS  86  11.038  -9.522  -5.820
  679   2HB   LYS  86          HB3       LYS  86  12.624  -8.781  -5.552
  680   1HG   LYS  86          HG2       LYS  86  13.245 -10.709  -4.095
  681   2HG   LYS  86          HG3       LYS  86  11.610 -11.373  -4.290
  682   1HD   LYS  86          HD2       LYS  86  11.978 -11.496  -6.768
  683   2HD   LYS  86          HD3       LYS  86  13.654 -10.960  -6.518
  684   1HE   LYS  86          HE2       LYS  86  14.070 -12.963  -5.083
  685   2HE   LYS  86          HE3       LYS  86  12.387 -13.473  -5.299
  686   1HZ   LYS  86          HZ1       LYS  86  13.848 -14.650  -6.759
  687   2HZ   LYS  86          HZ2       LYS  86  12.821 -13.726  -7.645
  688   3HZ   LYS  86          HZ3       LYS  86  14.390 -13.262  -7.450
  689    H    LYS  87           HN       LYS  87  12.331  -6.373  -4.060
  690    HA   LYS  87           HA       LYS  87  14.633  -6.800  -2.329
  691   1HB   LYS  87          HB2       LYS  87  13.561  -4.552  -4.007
  692   2HB   LYS  87          HB3       LYS  87  14.805  -4.216  -2.796
  693   1HG   LYS  87          HG2       LYS  87  16.395  -5.639  -3.776
  694   2HG   LYS  87          HG3       LYS  87  15.184  -6.496  -4.759
  695   1HD   LYS  87          HD2       LYS  87  14.770  -4.565  -6.111
  696   2HD   LYS  87          HD3       LYS  87  15.769  -3.527  -5.075
  697   1HE   LYS  87          HE2       LYS  87  17.797  -4.555  -5.778
  698   2HE   LYS  87          HE3       LYS  87  16.954  -5.906  -6.561
  699   1HZ   LYS  87          HZ1       LYS  87  16.671  -3.102  -7.413
  700   2HZ   LYS  87          HZ2       LYS  87  17.731  -4.169  -8.104
  701   3HZ   LYS  87          HZ3       LYS  87  16.107  -4.430  -8.186
  702    H    LYS  88           HN       LYS  88  14.084  -7.146  -0.261
  703    HA   LYS  88           HA       LYS  88  12.283  -5.927   1.406
  704   1HB   LYS  88          HB2       LYS  88  13.771  -7.756   2.009
  705   2HB   LYS  88          HB3       LYS  88  15.172  -6.668   2.014
  706   1HG   LYS  88          HG2       LYS  88  14.303  -5.443   3.922
  707   2HG   LYS  88          HG3       LYS  88  12.742  -6.271   3.820
  708   1HD   LYS  88          HD2       LYS  88  13.774  -8.416   4.369
  709   2HD   LYS  88          HD3       LYS  88  15.397  -7.686   4.336
  710   1HE   LYS  88          HE2       LYS  88  14.884  -6.260   6.241
  711   2HE   LYS  88          HE3       LYS  88  13.188  -6.755   6.230
  712   1HZ   LYS  88          HZ1       LYS  88  14.412  -7.864   7.922
  713   2HZ   LYS  88          HZ2       LYS  88  13.920  -8.979   6.818
  714   3HZ   LYS  88          HZ3       LYS  88  15.493  -8.478   6.847
  715    H    THR  89           HN       THR  89  15.452  -4.532   0.398
  716    HA   THR  89           HA       THR  89  15.310  -2.182   1.971
  717    HB   THR  89           HB       THR  89  17.240  -1.819   1.028
  718    HG1  THR  89           HG1      THR  89  16.150  -0.254  -0.276
  719   1HG2  THR  89          HG21      THR  89  18.164  -2.992  -0.920
  720   2HG2  THR  89          HG22      THR  89  16.578  -3.693  -1.268
  721   3HG2  THR  89          HG23      THR  89  17.451  -4.122   0.235
  722    H    GLU  90           HN       GLU  90  13.975  -2.797  -1.297
  723    HA   GLU  90           HA       GLU  90  13.131  -0.129  -1.744
  724   1HB   GLU  90          HB2       GLU  90  12.230  -2.814  -2.912
  725   2HB   GLU  90          HB3       GLU  90  11.495  -1.290  -3.358
  726   1HG   GLU  90          HG2       GLU  90  13.676  -0.435  -4.157
  727   2HG   GLU  90          HG3       GLU  90  14.426  -1.979  -3.750
  728    H    ARG  91           HN       ARG  91  11.592  -2.988  -0.298
  729    HA   ARG  91           HA       ARG  91   9.061  -1.792   0.215
  730   1HB   ARG  91          HB2       ARG  91  10.618  -3.949   1.699
  731   2HB   ARG  91          HB3       ARG  91   8.931  -3.509   2.078
  732   1HG   ARG  91          HG2       ARG  91   8.441  -3.939  -0.384
  733   2HG   ARG  91          HG3       ARG  91  10.043  -4.712  -0.485
  734   1HD   ARG  91          HD2       ARG  91   7.718  -5.516   1.293
  735   2HD   ARG  91          HD3       ARG  91   8.256  -6.389  -0.130
  736    HE   ARG  91           HE       ARG  91   9.532  -6.142   2.544
  737   1HH1  ARG  91          HH22      ARG  91   9.864  -7.756  -0.657
  738   2HH1  ARG  91          HH21      ARG  91  10.174  -9.309   0.163
  739   1HH2  ARG  91          HH12      ARG  91   9.885  -8.277   3.402
  740   2HH2  ARG  91          HH11      ARG  91  10.331  -9.533   2.251
  741    H    GLU  92           HN       GLU  92  11.871  -2.086   2.525
  742    HA   GLU  92           HA       GLU  92  10.620  -0.603   4.574
  743   1HB   GLU  92          HB2       GLU  92  13.573  -0.935   3.873
  744   2HB   GLU  92          HB3       GLU  92  12.948  -0.247   5.382
  745   1HG   GLU  92          HG2       GLU  92  11.711  -2.332   5.842
  746   2HG   GLU  92          HG3       GLU  92  12.365  -3.075   4.385
  747    H    ASP  93           HN       ASP  93  12.741   0.514   1.947
  748    HA   ASP  93           HA       ASP  93  12.947   3.258   2.551
  749   1HB   ASP  93          HB2       ASP  93  12.962   1.706  -0.083
  750   2HB   ASP  93          HB3       ASP  93  13.446   3.384   0.090
  751    H    LEU  94           HN       LEU  94  10.715   1.608   0.334
  752    HA   LEU  94           HA       LEU  94   9.021   3.759  -0.268
  753   1HB   LEU  94          HB2       LEU  94   9.078   1.501  -1.359
  754   2HB   LEU  94          HB3       LEU  94   8.324   0.831   0.071
  755    HG   LEU  94           HG       LEU  94   6.367   2.367  -0.273
  756   1HD1  LEU  94          HD11      LEU  94   7.278   4.151  -1.593
  757   2HD1  LEU  94          HD12      LEU  94   7.820   3.024  -2.860
  758   3HD1  LEU  94          HD13      LEU  94   6.093   3.274  -2.581
  759   1HD2  LEU  94          HD21      LEU  94   5.575   1.102  -2.250
  760   2HD2  LEU  94          HD22      LEU  94   7.226   0.579  -2.607
  761   3HD2  LEU  94          HD23      LEU  94   6.436   0.013  -1.114
  762    H    ILE  95           HN       ILE  95   8.595   1.343   2.349
  763    HA   ILE  95           HA       ILE  95   6.199   2.426   3.373
  764    HB   ILE  95           HB       ILE  95   8.400   0.740   4.580
  765   1HG1  ILE  95          HG12      ILE  95   5.542  -0.041   3.837
  766   2HG1  ILE  95          HG13      ILE  95   6.824  -0.041   2.634
  767   1HG2  ILE  95          HG21      ILE  95   5.712   1.430   5.840
  768   2HG2  ILE  95          HG22      ILE  95   6.813   0.156   6.387
  769   3HG2  ILE  95          HG23      ILE  95   7.320   1.838   6.481
  770   1HD1  ILE  95          HD11      ILE  95   8.173  -1.576   4.048
  771   2HD1  ILE  95          HD12      ILE  95   6.797  -1.720   5.161
  772   3HD1  ILE  95          HD13      ILE  95   6.645  -2.263   3.480
  773    H    ALA  96           HN       ALA  96   9.603   3.133   4.280
  774    HA   ALA  96           HA       ALA  96   9.066   4.997   6.335
  775   1HB   ALA  96          HB1       ALA  96  11.293   5.889   5.873
  776   2HB   ALA  96          HB2       ALA  96  11.312   4.114   5.826
  777   3HB   ALA  96          HB3       ALA  96  11.349   5.048   4.315
  778    H    TYR  97           HN       TYR  97   9.365   5.530   2.762
  779    HA   TYR  97           HA       TYR  97   8.732   8.304   2.881
  780   1HB   TYR  97          HB2       TYR  97   9.431   7.630   0.773
  781   2HB   TYR  97          HB3       TYR  97   8.444   6.226   0.749
  782    HD1  TYR  97           HD1      TYR  97   7.501   9.825   1.401
  783    HD2  TYR  97           HD2      TYR  97   6.681   6.301  -0.823
  784    HE1  TYR  97           HE1      TYR  97   6.089  11.168  -0.115
  785    HE2  TYR  97           HE2      TYR  97   4.877   7.555  -1.969
  786    HH   TYR  97           HH       TYR  97   4.087   9.605  -2.596
  787    H    LEU  98           HN       LEU  98   6.495   5.510   2.326
  788    HA   LEU  98           HA       LEU  98   4.224   7.061   2.134
  789   1HB   LEU  98          HB2       LEU  98   4.245   4.368   3.558
  790   2HB   LEU  98          HB3       LEU  98   2.844   5.132   2.849
  791    HG   LEU  98           HG       LEU  98   5.222   4.135   1.232
  792   1HD1  LEU  98          HD11      LEU  98   4.061   2.293   2.431
  793   2HD1  LEU  98          HD12      LEU  98   2.519   2.841   1.747
  794   3HD1  LEU  98          HD13      LEU  98   3.800   2.220   0.683
  795   1HD2  LEU  98          HD21      LEU  98   3.926   5.843   0.017
  796   2HD2  LEU  98          HD22      LEU  98   3.627   4.206  -0.621
  797   3HD2  LEU  98          HD23      LEU  98   2.420   4.978   0.426
  798    H    LYS  99           HN       LYS  99   5.808   5.917   5.113
  799    HA   LYS  99           HA       LYS  99   3.906   6.724   7.036
  800   1HB   LYS  99          HB2       LYS  99   6.712   5.925   7.021
  801   2HB   LYS  99          HB3       LYS  99   6.558   7.394   7.980
  802   1HG   LYS  99          HG2       LYS  99   4.623   6.237   9.205
  803   2HG   LYS  99          HG3       LYS  99   5.132   4.753   8.393
  804   1HD   LYS  99          HD2       LYS  99   7.347   4.876   9.318
  805   2HD   LYS  99          HD3       LYS  99   6.954   6.375  10.193
  806   1HE   LYS  99          HE2       LYS  99   5.376   5.254  11.625
  807   2HE   LYS  99          HE3       LYS  99   5.246   3.870  10.528
  808   1HZ   LYS  99          HZ1       LYS  99   7.576   4.402  12.246
  809   2HZ   LYS  99          HZ2       LYS  99   6.494   3.123  12.261
  810   3HZ   LYS  99          HZ3       LYS  99   7.471   3.238  11.049
  811    H    LYS 100           HN       LYS 100   6.458   8.579   5.414
  812    HA   LYS 100           HA       LYS 100   5.739  11.063   6.670
  813   1HB   LYS 100          HB2       LYS 100   7.721  10.099   4.745
  814   2HB   LYS 100          HB3       LYS 100   6.947  11.544   4.099
  815   1HG   LYS 100          HG2       LYS 100   8.032  11.349   6.932
  816   2HG   LYS 100          HG3       LYS 100   9.005  11.905   5.558
  817   1HD   LYS 100          HD2       LYS 100   7.454  13.713   5.054
  818   2HD   LYS 100          HD3       LYS 100   6.295  13.149   6.256
  819   1HE   LYS 100          HE2       LYS 100   7.879  13.657   8.073
  820   2HE   LYS 100          HE3       LYS 100   9.035  14.293   6.892
  821   1HZ   LYS 100          HZ1       LYS 100   7.515  15.982   6.308
  822   2HZ   LYS 100          HZ2       LYS 100   7.479  15.959   7.950
  823   3HZ   LYS 100          HZ3       LYS 100   6.236  15.310   7.038
  824    H    ALA 101           HN       ALA 101   5.123   9.787   3.356
  825    HA   ALA 101           HA       ALA 101   3.799  11.935   2.345
  826   1HB   ALA 101          HB1       ALA 101   2.810   9.198   1.556
  827   2HB   ALA 101          HB2       ALA 101   3.340  10.587   0.570
  828   3HB   ALA 101          HB3       ALA 101   4.526   9.544   1.375
  829    H    THR 102           HN       THR 102   2.301   9.191   4.079
  830    HA   THR 102           HA       THR 102  -0.369  10.141   3.568
  831    HB   THR 102           HB       THR 102  -1.043   8.343   5.148
  832    HG1  THR 102           HG1      THR 102   1.733   7.778   5.313
  833   1HG2  THR 102          HG21      THR 102  -0.241   6.467   3.748
  834   2HG2  THR 102          HG22      THR 102  -0.725   7.854   2.754
  835   3HG2  THR 102          HG23      THR 102   0.996   7.506   3.025
  836    H    ASN 103           HN       ASN 103   2.007  11.098   5.925
  837    HA   ASN 103           HA       ASN 103   0.002  12.292   7.760
  838   1HB   ASN 103          HB2       ASN 103   2.996  11.738   7.846
  839   2HB   ASN 103          HB3       ASN 103   2.251  12.953   8.858
  840   1HD2  ASN 103          HD21      ASN 103   2.522   9.490   8.273
  841   2HD2  ASN 103          HD22      ASN 103   1.672   9.003   9.740
  842    H    GLU 104           HN       GLU 104   2.547  13.004   5.433
  843    HA   GLU 104           HA       GLU 104   3.155  14.686   4.211
  844   1HB   GLU 104          HB2       GLU 104   0.635  15.106   4.240
  845   2HB   GLU 104          HB3       GLU 104   0.978  16.402   5.376
  846   1HG   GLU 104          HG2       GLU 104   2.347  17.509   3.604
  847   2HG   GLU 104          HG3       GLU 104   2.087  16.117   2.530
  848    HHA  HEC 110           HGM      HIS  18  -5.864  -2.376  -1.589
  849    HHB  HEC 110           HDM      HIS  18  -0.012  -0.220  -0.295
  850    HHC  HEC 110           HAM      HIS  18   1.356  -0.470  -6.544
  851    HHD  HEC 110           HBM      HIS  18  -4.727  -1.640  -7.811
  852   1HMA  HEC 110          HM81      HIS  18  -1.102  -1.876   1.637
  853   2HMA  HEC 110          HM83      HIS  18  -2.613  -1.241   2.306
  854   3HMA  HEC 110          HM82      HIS  18  -1.417  -0.117   1.647
  855   1HAA  HEC 110          HP71      HIS  18  -5.422  -2.935   0.395
  856   2HAA  HEC 110          HP72      HIS  18  -4.159  -2.834   1.581
  857   1HBA  HEC 110          HP74      HIS  18  -4.899  -0.639   2.317
  858   2HBA  HEC 110          HP73      HIS  18  -6.233  -1.807   2.291
  859   1HMB  HEC 110          HM11      HIS  18   1.887   1.481  -0.972
  860   2HMB  HEC 110          HM13      HIS  18   3.320   0.848  -1.795
  861   3HMB  HEC 110          HM12      HIS  18   2.430  -0.185  -0.660
  862    HAB  HEC 110          HT2A      HIS  18   3.018   0.081  -5.572
  863   1HBB  HEC 110          HT23      HIS  18   3.768  -1.840  -4.386
  864   2HBB  HEC 110          HT22      HIS  18   4.472  -0.797  -3.127
  865   3HBB  HEC 110          HT21      HIS  18   5.057  -0.705  -4.814
  866   1HMC  HEC 110          HM31      HIS  18   1.295  -1.265  -8.569
  867   2HMC  HEC 110          HM33      HIS  18   0.463   0.104  -9.348
  868   3HMC  HEC 110          HM32      HIS  18   0.131  -1.572  -9.839
  869    HAC  HEC 110          HT4A      HIS  18  -3.835  -0.341  -9.342
  870   1HBC  HEC 110          HT41      HIS  18  -1.406  -0.673 -11.138
  871   2HBC  HEC 110          HT43      HIS  18  -3.101  -0.496 -11.584
  872   3HBC  HEC 110          HT42      HIS  18  -2.544  -2.014 -10.852
  873   1HMD  HEC 110          HM51      HIS  18  -7.948  -3.037  -6.395
  874   2HMD  HEC 110          HM53      HIS  18  -6.588  -3.083  -7.510
  875   3HMD  HEC 110          HM52      HIS  18  -7.387  -1.533  -7.123
  876   1HAD  HEC 110          HP61      HIS  18  -7.797  -2.405  -2.703
  877   2HAD  HEC 110          HP62      HIS  18  -8.471  -2.712  -4.280
  878   1HBD  HEC 110          HP64      HIS  18  -8.539  -4.630  -2.648
  879   2HBD  HEC 110          HP63      HIS  18  -6.783  -4.745  -2.774