*HEADER   ELECTRON TRANSPORT                      05-JAN-98   1A2I    
*TITLE    SOLUTION STRUCTURE OF DESULFOVIBRIO VULGARIS                
*TITLE   2 (HILDENBOROUGH) FERROCYTOCHROME C3, NMR, 20 STRUCTURES     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CYTOCHROME C3;                                   
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: TETRAHEME CYTOCHROME;                             
*COMPND  5 OTHER_DETAILS: CLASS III OF C-TYPE CYTOCHROMES, FULLY      
*COMPND  6 REDUCED FORM                                               
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS;               
*SOURCE  3 STRAIN: HILDENBOROUGH;                                     
*SOURCE  4 CELLULAR_LOCATION: PERIPLASM                               
*KEYWDS   ELECTRON TRANSPORT, HEMEPROTEIN, ELECTRON TRANSFER,         
*KEYWDS  2 REDOX-BOHR EFFECT, COOPERATIVITY, ENERGY TRANSDUCTION      
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   A.C.MESSIAS,D.H.K.KASTRAU,H.S.COSTA,J.LEGALL,D.L.TURNER,    
*AUTHOR  2 H.SANTOS,A.V.XAVIER                                        
*REVDAT  1   08-JUL-98 1A2I    0                                      
 
  1 ALA  
         HA      2 PRO  HD2     3.10
         HA      2 PRO  HD3     3.10
         HA      2 PRO  QD      2.87
         QB      2 PRO  QD      4.36
         QB     33 HEMC HDM     8.00
  2 PRO  
         HA     33 HEMC HDM     7.00
         HB2    33 HEMC HDM     7.00
         HB3    33 HEMC HDM     7.00
         QB     33 HEMC QM8     5.48
         QB     33 HEMC HDM     6.80
         QB     43 TYRF HQD2    7.88
         QB     43 TYRF HQE2    7.88
         QG     33 HEMC HDM     7.20
         QG     33 HEMC QM1     6.20
         QG     43 TYRF HQD2    8.00
         QG     43 TYRF HQE2    6.90
         QD     33 HEMC HDM     7.88
         QD     43 TYRF QD     10.02
         QD     43 TYRF QE      8.71
  3 LYS  
         HA      4 ALA  HN      3.40
         HA      4 ALA  QB      5.40
         HA     33 HEMC HDM     6.80
         HA     33 HEMC QT2     6.80
         QG      4 ALA  HN      7.00
  4 ALA  
         HN      4 ALA  QB      3.60
         HN     33 HEMC QM1     5.40
         HN     33 HEMC QT2     4.70
         HA      5 PRO  QG      5.21
         HA      5 PRO  HD2     2.70
         HA      5 PRO  HD3     2.50
         HA     22 HISH HD2     5.30
         HA     33 HEMC HDM     3.60
         HA     33 HEMC QM1     4.00
         HA     33 HEMC HT2A    7.00
         QB      5 PRO  HD2     3.50
         QB      5 PRO  HD3     4.00
         QB      6 ALA  HA      8.00
         QB     22 HISH HA      6.50
         QB     22 HISH HB2     4.10
         QB     22 HISH HB3     4.10
         QB     22 HISH HD1     7.20
         QB     22 HISH HD2     4.00
         QB     22 HISH HE1     8.00
         QB     26 LYS  HA      8.00
         QB     30 CYSH HA      8.00
         QB     33 HEMC QM3     9.00
         QB     33 HEMC QM8     7.10
         QB     33 HEMC HDM     5.90
         QB     33 HEMC QM1     5.30
         QB     33 HEMC HT2A    6.00
         QB     33 HEMC QT2     4.70
         QB     33 HEMC HAM     7.30
  5 PRO  
         HA      6 ALA  HN      2.90
         HA      6 ALA  QB      5.10
         HA     33 HEMC HDM     7.00
         HB2     6 ALA  HN      4.00
         HB2    22 HISH HE1     5.00
         HB3     6 ALA  HN      4.10
         HB3    33 HEMC QM8     4.70
         HB3    33 HEMC HDM     7.00
         HG2    33 HEMC HA72    6.15
         HG2    33 HEMC HA73    6.15
         HG2    33 HEMC HDM     6.50
         HG3    33 HEMC HA72    6.15
         HG3    33 HEMC HA73    6.15
         HG3    33 HEMC HDM     6.50
         QG      9 LEU  QD2     6.48
         QG     22 HISH HD1     5.58
         QG     22 HISH HD2     6.98
         QG     22 HISH HE1     4.18
         QG     33 HEMC QB6     7.97
         QG     33 HEMC HGM     6.48
         QG     33 HEMC QA7     4.95
         QG     33 HEMC QM8     5.98
         QG     33 HEMC HDM     5.82
         HD2    22 HISH HA      7.00
         HD2    22 HISH HB2     5.20
         HD2    22 HISH HB3     6.40
         HD2    22 HISH HD1     5.20
         HD2    22 HISH HD2     4.40
         HD2    22 HISH HE1     4.10
         HD2    33 HEMC HGM     7.00
         HD2    33 HEMC QM8     5.00
         HD2    33 HEMC HDM     4.50
         HD2    33 HEMC QM1     5.90
         HD2    33 HEMC QT2     6.60
         HD3    22 HISH HD1     5.70
         HD3    33 HEMC HDM     3.90
  6 ALA  
         HN      6 ALA  QB      3.40
         HA      7 ASP- HN      3.20
         QB      7 ASP- HN      4.00
         QB      7 ASP- HA      6.10
  7 ASP- 
         HA      9 LEU  HN      5.60
         HA     21 ASN  HA      3.50
         HA     22 HISH HN      5.00
         HB2     8 GLY  HN      4.20
         HB3     8 GLY  HN      4.20
         QB      9 LEU  HN      6.58
  8 GLY  
         HN     21 ASN  HA      3.90
         HA1     9 LEU  HN      3.60
         HA1    19 VAL  QG1     3.20
         HA2    19 VAL  QG1     4.70
         HA2    19 VAL  QG2     6.30
  9 LEU  
         HN      9 LEU  HB3     3.60
         HN      9 LEU  QD1     5.20
         HN      9 LEU  QD2     5.50
         HN     10 LYS  HN      4.60
         HN     19 VAL  QG1     4.60
         HN     20 PHEF HN      4.80
         HA      9 LEU  QD1     4.40
         HA      9 LEU  QD2     3.40
         HA     10 LYS  HN      2.20
         HA     10 LYS  HA      5.20
         HA     10 LYS  QB      5.20
         HA     11 MET  HN      7.00
         HA     19 VAL  QG1     6.80
         HA     19 VAL  QG2     6.80
         HB3    10 LYS  HN      4.60
         HB3    20 PHEF HN      4.60
         HB3    20 PHEF HB2     7.00
         HB3    20 PHEF HB3     6.00
         HG     22 HISH HD1     4.40
         HG     33 HEMC HGM     5.50
         QD1    10 LYS  HN      5.40
         QD1    11 MET  QG      8.40
         QD1    19 VAL  HA      6.20
         QD1    20 PHEF HN      6.20
         QD1    20 PHEF QD      7.14
         QD1    22 HISH HN      7.10
         QD1    33 HEMC QA6     8.89
         QD1    33 HEMC QB6     6.09
         QD2    10 LYS  HN      4.50
         QD2    10 LYS  HA      5.60
         QD2    10 LYS  QB      8.80
         QD2    11 MET  HN      8.00
         QD2    11 MET  HA      6.30
         QD2    11 MET  QG      6.50
         QD2    12 GLU- HN      8.00
         QD2    20 PHEF HN      6.50
         QD2    20 PHEF QD      8.84
         QD2    33 HEMC QA6     7.09
         QD2    33 HEMC QB6     8.89
         QD2    33 HEMC HGM     5.80
         QD2    45 LYS  HA      7.00
         QD2    45 LYS  HG3     6.40
 10 LYS  
         HN     10 LYS  QB      3.60
         HN     10 LYS  HG2     4.20
         HN     10 LYS  HG3     5.40
         HN     11 MET  HN      5.10
         HN     19 VAL  QG1     6.80
         HN     19 VAL  QG2     6.90
         HN     20 PHEF HN      7.00
         HA     10 LYS  QD      6.30
         HA     11 MET  HN      2.40
         HA     18 VAL  HN      5.80
         QB     10 LYS  QE      7.98
         QB     11 MET  HN      5.00
         QB     18 VAL  HN      7.60
         QB     19 VAL  QG2     6.00
         HG2    11 MET  HN      4.40
         HG3    11 MET  HN      4.60
         HG3    12 GLU- HN      6.40
         HG3    19 VAL  HN      6.00
         QD     12 GLU- HB3     7.80
         QD     19 VAL  QG1     7.50
         QD     19 VAL  QG2     6.10
         HE2    19 VAL  QG2     5.70
         HE3    19 VAL  QG2     5.70
         QE     19 VAL  QG2     5.48
 11 MET  
         HN     11 MET  QB      3.90
         HN     11 MET  QG      4.70
         HN     12 GLU- HN      5.50
         HN     12 GLU- HA      5.00
         HN     18 VAL  HN      3.90
         HN     18 VAL  HA      6.40
         HN     18 VAL  HB      4.60
         HN     18 VAL  QG1     5.30
         HN     18 VAL  QG2     7.70
         HN     19 VAL  HN      7.00
         HN     19 VAL  QG1     7.70
         HN     19 VAL  QG2     5.50
         HN     20 PHEF HN      5.00
         HN    105 HEMC HB63    6.80
         HA     11 MET  QG      3.80
         HA     12 GLU- HN      2.80
         HA     12 GLU- HA      5.70
         HA     12 GLU- HB2     4.70
         HA     13 ALA  HN      5.40
         HA     13 ALA  QB      7.50
         QB     13 ALA  HN      8.00
         QB     18 VAL  HN      5.20
         QB     18 VAL  QG2     7.40
         QB     65 TYRF QE     10.13
         QB    105 HEMC QM5     6.20
         QG     12 GLU- HN      6.40
         QG     13 ALA  HN      7.40
         QG     17 PRO  HA      6.20
         QG     18 VAL  HN      6.20
         QG     18 VAL  HB      6.50
         QG     18 VAL  QG2     8.30
         QE     12 GLU- HN      7.60
         QE     13 ALA  HN      8.00
         QE     17 PRO  HA      7.60
         QE     18 VAL  QG2     7.20
         QE     33 HEMC HBM     7.10
         QE     46 CYSH QB      8.00
         QE     65 TYRF HQD1    6.10
         QE     65 TYRF HQE1    5.20
         QE     69 MET  HB2     7.60
         QE     69 MET  QE      4.20
         QE     82 HEMC QM1     6.80
         QE     82 HEMC QT2     5.20
         QE    105 HEMC QM5     4.50
         QE    105 HEMC HB63    5.00
 12 GLU- 
         HN     12 GLU- HB2     3.70
         HN     12 GLU- HB3     3.60
         HN     13 ALA  HN      3.50
         HN     14 THR  HN      5.30
         HA     12 GLU- HG3     3.50
         HA     13 ALA  HN      2.80
         HA     65 TYRF HQE2    6.40
         HB2    12 GLU- HG2     2.60
         HB2    12 GLU- HG3     3.00
         HB2    13 ALA  HN      5.10
         HB2    14 THR  HN      5.90
         HB3    13 ALA  HN      4.50
         HB3    14 THR  HN      5.70
         HB3    18 VAL  HN      6.20
         HG2    13 ALA  HN      4.40
         HG2    14 THR  HN      4.60
         HG3    13 ALA  HN      5.60
 13 ALA  
         HN     13 ALA  QB      3.10
         HN     14 THR  HN      2.70
         HN     14 THR  HA      5.40
         HN     14 THR  QG2     4.80
         HN     14 THR  HG1     4.30
         HN     17 PRO  HB3     7.00
         HN     17 PRO  QG      7.80
         HN     55 MET  QE      7.70
         HN     65 TYRF HQE2    5.70
         HN    105 HEMC HA63    7.00
         HN    105 HEMC HGM     7.00
         HA     14 THR  HN      3.50
         HA     14 THR  QG2     5.40
         HA     65 TYRF HQE2    6.00
         QB     14 THR  HN      3.90
         QB     14 THR  HA      5.60
         QB     14 THR  HB      7.10
         QB     14 THR  QG2     4.30
         QB     55 MET  HA      7.40
         QB     65 TYRF HQD2    4.90
         QB     65 TYRF HQE2    3.70
         QB     65 TYRF QD      6.94
         QB    105 HEMC HGM     8.00
 14 THR  
         HN     14 THR  QG2     3.70
         HN     14 THR  HG1     3.00
         HN     15 LYS  HN      6.40
         HN     16 GLN  HN      5.10
         HN     16 GLN  HG2     6.60
         HN     17 PRO  HB3     6.60
         HN     17 PRO  QG      6.80
         HN     17 PRO  QD      8.00
         HN     55 MET  QE      7.40
         HN     65 TYRF HQE2    5.90
         HN    105 HEMC HB62    5.70
         HN    105 HEMC HGM     7.00
         HN    105 HEMC HA73    7.00
         HA     14 THR  QG2     3.20
         HA     15 LYS  HN      2.90
         HA     15 LYS  HB2     5.80
         HA     15 LYS  HB3     5.10
         HA     15 LYS  QG      6.60
         HA     15 LYS  QD      8.00
         HA     16 GLN  HN      4.10
         HA     16 GLN  HB2     7.00
         HA     55 MET  QE      5.90
         HA     65 TYRF HQD2    6.70
         HA     65 TYRF HQE2    5.90
         HA    105 HEMC HGM     5.80
         HA    105 HEMC HA72    4.90
         HA    105 HEMC HA73    4.80
         HA    105 HEMC HB72    5.50
         HB     15 LYS  HN      3.10
         HB     15 LYS  HA      5.20
         HB     15 LYS  HB2     6.00
         HB     15 LYS  HB3     6.30
         HB     15 LYS  QG      7.60
         HB     16 GLN  HN      4.30
         HB     16 GLN  HB2     5.70
         HB     16 GLN  HB3     7.00
         HB     16 GLN  HG3     6.50
         HB     55 MET  QE      7.20
         HB     65 TYRF HQD2    7.00
         HB     65 TYRF HQE2    5.60
         HB    105 HEMC HA62    7.00
         HB    105 HEMC HGM     4.60
         HB    105 HEMC HA72    3.60
         HB    105 HEMC HA73    3.60
         HB    105 HEMC HB72    4.10
         HB    105 HEMC HB73    5.30
         HB    105 HEMC QM8     7.30
         QG2    15 LYS  HN      4.70
         QG2    16 GLN  HN      5.70
         QG2    18 VAL  QG2     9.00
         QG2    65 TYRF HQD2    3.90
         QG2    65 TYRF HQE2    3.10
         QG2    66 TYRF HQD2    6.50
         QG2   105 HEMC HA63    3.90
         QG2   105 HEMC HB62    4.70
         QG2   105 HEMC HGM     3.90
         QG2   105 HEMC HA73    3.90
         QG2   105 HEMC HB72    4.90
         HG1    16 GLN  HN      3.30
         HG1   105 HEMC HB63    6.60
         HG1   105 HEMC HGM     4.90
 15 LYS  
         HN     15 LYS  HB2     3.10
         HN     15 LYS  QG      4.80
         HN     15 LYS  QD      6.00
         HN     16 GLN  HN      3.70
         HN     17 PRO  QD      8.00
         HN    105 HEMC HGM     6.50
         HA     15 LYS  HB2     2.90
         HA     15 LYS  QG      3.80
         HB2    16 GLN  HN      4.50
         HB3    16 GLN  HN      5.60
         HB3    16 GLN  HB3     5.60
         QG     16 GLN  HN      7.70
 16 GLN  
         HN     16 GLN  HB2     3.90
         HN     16 GLN  HG2     4.40
         HN     16 GLN  HG3     4.00
         HN     17 PRO  HA      5.40
         HN     17 PRO  QG      7.10
         HN     17 PRO  QD      4.80
         HN    105 HEMC HB63    7.00
         HN    105 HEMC HGM     5.60
         HN    105 HEMC HA72    4.90
         HN    105 HEMC HA73    5.30
         HA     16 GLN  HB3     3.00
         HA     16 GLN  HG2     2.80
         HA    105 HEMC HGM     7.00
         HB2    16 GLN  HE21    3.40
         HB2    16 GLN  HE22    4.60
         HB2   105 HEMC HGM     4.40
         HB2   105 HEMC HA72    4.50
         HB2   105 HEMC HA73    4.00
         HB2   106 HISH HE1     3.10
         HB3    16 GLN  HE21    3.90
         HB3    16 GLN  HE22    4.00
         HB3    17 PRO  QD      5.90
         HB3    18 VAL  QG2     5.40
         HB3   105 HEMC HGM     5.20
         HB3   105 HEMC HA73    4.90
         HB3   106 HISH HA      7.00
         HB3   106 HISH HD1     3.40
         HB3   106 HISH HE1     3.20
         HG2   105 HEMC HGM     6.40
         HG3    17 PRO  QD      7.90
         HG3   105 HEMC HGM     6.00
         HE21  106 HISH HD1     5.00
         HE22  106 HISH HD1     5.70
         HE22  106 HISH HE1     5.30
 17 PRO  
         HA     18 VAL  HA      5.00
         HA     18 VAL  QG2     4.60
         HA     19 VAL  QG2     8.00
         HA    105 HEMC HA62    7.00
         HA    105 HEMC HB62    3.20
         HA    105 HEMC HB63    3.60
         HA    105 HEMC HGM     6.20
         HA    106 HISH HE1     6.00
         HB2    18 VAL  HN      3.40
         HB2    18 VAL  QG2     7.40
         QD     18 VAL  QG2     9.00
 18 VAL  
         HN     18 VAL  HB      3.10
         HN     18 VAL  QG2     3.90
         HN     19 VAL  HN      5.10
         HN     19 VAL  QG2     8.00
         HN    105 HEMC HB63    4.10
         HN    105 HEMC HGM     7.00
         HA     18 VAL  QG1     3.50
         HA     18 VAL  QG2     3.10
         HA     19 VAL  HN      2.50
         HA     19 VAL  QG2     4.90
         HA    106 HISH HE1     5.30
         HB     19 VAL  HN      4.10
         HB    105 HEMC HT4A    7.00
         HB    105 HEMC HBM     7.00
         HB    105 HEMC QM5     3.60
         QG1    19 VAL  HN      3.70
         QG1    20 PHEF HN      5.10
         QG1    20 PHEF QD      8.64
         QG1    82 HEMC HDM     5.00
         QG1    82 HEMC QM1     5.00
         QG1   105 HEMC HN      7.10
         QG1   105 HEMC HA      4.00
         QG1   105 HEMC HT4A    4.70
         QG1   105 HEMC HBM     4.50
         QG1   105 HEMC QM5     5.30
         QG1   105 HEMC HB63    8.00
         QG1   105 HEMC HGM     8.00
         QG1   106 HISH HN      7.10
         QG1   106 HISH HD1     6.10
         QG2    19 VAL  HN      4.60
         QG2    19 VAL  QG2     9.00
         QG2    65 TYRF HQE2    8.00
         QG2    70 HISH HE1     8.00
         QG2    82 HEMC QM8     8.10
         QG2    82 HEMC HDM     8.00
         QG2    82 HEMC QM1     6.20
         QG2    82 HEMC QT2     8.60
         QG2   105 HEMC HN      7.90
         QG2   105 HEMC HA      4.90
         QG2   105 HEMC HB2     4.90
         QG2   105 HEMC HB3     3.90
         QG2   105 HEMC HT4A    5.40
         QG2   105 HEMC HBM     4.50
         QG2   105 HEMC QM5     4.80
         QG2   105 HEMC HA62    6.10
         QG2   105 HEMC HB62    3.80
         QG2   105 HEMC HB63    4.10
         QG2   105 HEMC HGM     6.80
         QG2   105 HEMC HA73    8.00
         QG2   106 HISH HN      6.80
         QG2   106 HISH HA      5.30
         QG2   106 HISH HD1     3.80
         QG2   106 HISH HD2     6.30
         QG2   106 HISH HE1     3.10
         QG2   107 GLU- HN      8.00
 19 VAL  
         HN     19 VAL  HB      2.50
         HN     19 VAL  QG1     4.60
         HN     19 VAL  QG2     3.70
         HN     20 PHEF HN      4.90
         QG1    20 PHEF HN      3.90
         QG1    21 ASN  HN      7.40
         QG1    21 ASN  HD21    5.60
         QG1    21 ASN  HD22    4.60
         QG1    82 HEMC HDM     8.00
         QG2    20 PHEF HN      4.90
         QG2    21 ASN  HD22    8.00
 20 PHEF 
         HN     20 PHEF HB2     3.80
         HN     20 PHEF HB3     3.80
         HN     21 ASN  HN      6.90
         HA     20 PHEF HB2     2.90
         HA     21 ASN  HN      2.90
         HA     82 HEMC HDM     4.20
         HB2    21 ASN  HN      5.70
         HB2    82 HEMC HDM     7.00
         HB3    82 HEMC HDM     7.00
         HE1    25 HISH HD1     7.00
         HE2    25 HISH HD1     7.00
         QD     22 HISH HE1     6.54
         QD     33 HEMC QM5     8.04
         QD     82 HEMC HDM     8.34
         QD     82 HEMC QT2     7.94
         QE     25 HISH HB2     7.83
         QE     25 HISH HD1     6.11
         QE     33 HEMC HT4A    9.13
         QE     33 HEMC QT4     7.83
         QE     33 HEMC HBM     8.93
         QE     82 HEMC HDM     9.13
         QE     82 HEMC HT2A    7.73
         HZ     22 HISH HA      4.90
         HZ     25 HISH HB2     3.50
         HZ     25 HISH HD1     4.50
         HZ     25 HISH HD2     4.40
         HZ     33 HEMC HT4A    3.50
         HZ     33 HEMC QT4     3.10
         HZ     33 HEMC QM3     5.90
         HZ     33 HEMC HBM     3.80
 21 ASN  
         HN     21 ASN  HD21    5.20
         HN     21 ASN  HD22    7.00
         HN     25 HISH HD1     5.90
         HB2    22 HISH HN      5.90
         HB2    24 THR  HN      4.00
         HB2    24 THR  QG2     4.50
         HB3    24 THR  HN      5.40
         HB3    24 THR  QG2     5.50
         HD21   24 THR  HB      5.70
         HD21   24 THR  QG2     8.00
 22 HISH 
         HN     22 HISH HB2     4.10
         HN     22 HISH HB3     3.80
         HN     22 HISH HD1     4.40
         HN     25 HISH HD1     7.00
         HA     22 HISH HD2     4.50
         HA     25 HISH HN      4.50
         HA     25 HISH HB3     5.00
         HA     25 HISH HD1     3.90
         HA     33 HEMC QT4     8.00
         HB2    22 HISH HD2     4.00
         HB2    23 SER  HN      5.80
         HB2    25 HISH HN      6.00
         HB3    22 HISH HD2     3.40
         HB3    23 SER  HN      6.10
         HB3    33 HEMC HAM     7.00
         HD2    25 HISH HB3     6.10
         HD2    30 CYSH HA      5.20
         HD2    33 HEMC HT4A    7.00
         HD2    33 HEMC QM3     5.40
         HD2    33 HEMC HDM     7.00
         HD2    33 HEMC HT2A    4.90
         HD2    33 HEMC HAM     4.00
         HE1    33 HEMC HGM     4.30
         HE1    33 HEMC HDM     7.00
 23 SER  
         HN     24 THR  HN      6.80
         HA     25 HISH HN      4.60
         HA     25 HISH HD1     7.00
         HA     26 LYS  HN      4.60
         HA     26 LYS  HD2     3.40
         QB     26 LYS  HG3     5.78
 24 THR  
         HN     24 THR  HB      2.80
         HN     24 THR  QG2     4.60
         HN     25 HISH HD1     4.10
         HA     24 THR  QG2     3.50
         HA     25 HISH HD1     5.60
         HA     26 LYS  HN      4.80
         HA     82 HEMC HGM     6.40
         HB     25 HISH HN      3.50
         HB     25 HISH HB2     4.90
         HB     25 HISH HD1     3.20
         HB     25 HISH HE1     3.50
         HB     26 LYS  HN      7.00
         HB     82 HEMC HGM     5.40
         QG2    25 HISH HN      5.10
         QG2    25 HISH HA      5.00
         QG2    25 HISH HD1     4.80
         QG2    25 HISH HD2     6.80
         QG2    25 HISH HE1     4.30
         QG2    26 LYS  HN      7.10
         QG2    82 HEMC HBM     8.00
         QG2    82 HEMC QM5     6.70
         QG2    82 HEMC HA63    4.40
         QG2    82 HEMC HB62    5.20
         QG2    82 HEMC HB63    5.70
         QG2    82 HEMC HGM     3.90
         QG2    82 HEMC HA73    4.90
         QG2    82 HEMC QB7     4.80
         QG2    82 HEMC QM8     7.30
         QG2    82 HEMC HDM     8.00
 25 HISH 
         HN     25 HISH HB2     3.00
         HN     25 HISH HB3     3.50
         HN     25 HISH HD1     3.10
         HN     25 HISH HE1     5.00
         HN     26 LYS  HN      2.90
         HN     26 LYS  HA      4.80
         HN     26 LYS  HB2     6.70
         HN     26 LYS  HB3     6.70
         HN     26 LYS  QB      6.44
         HN     26 LYS  HG2     5.40
         HN     26 LYS  HG3     5.40
         HN     33 HEMC QT4     6.60
         HN     33 HEMC QM3     6.90
         HA     25 HISH HB2     3.00
         HA     25 HISH HB3     2.70
         HA     25 HISH HD1     5.00
         HA     26 LYS  HN      3.30
         HA     28 VAL  QG2     3.70
         HB2    25 HISH HD1     3.30
         HB2    26 LYS  HN      5.30
         HB2    26 LYS  HA      7.00
         HB2    28 VAL  HN      7.00
         HB2    28 VAL  HB      4.10
         HB2    33 HEMC HT4A    6.10
         HB2    33 HEMC QT4     4.10
         HB2    33 HEMC QM3     4.50
         HB2    33 HEMC HBM     6.40
         HB3    25 HISH HD1     3.80
         HB3    25 HISH HD2     3.50
         HB3    26 LYS  HN      5.70
         HB3    28 VAL  HN      4.70
         HB3    28 VAL  QG2     4.50
         HB3    33 HEMC QT4     3.60
         HB3    33 HEMC QM3     3.60
         HB3    33 HEMC HAM     7.00
         HD1    26 LYS  HN      5.40
         HD1    26 LYS  HG3     6.60
         HD1    33 HEMC QT4     5.20
         HD1    33 HEMC QM3     7.30
         HD2    28 VAL  HN      6.60
         HD2    28 VAL  HB      4.80
         HD2    28 VAL  QG2     3.70
         HD2    33 HEMC HT4A    7.00
         HD2    33 HEMC QT4     3.50
         HD2    33 HEMC QM3     5.30
         HD2    33 HEMC HBM     7.00
         HD2    82 HEMC QT4     5.30
         HD2    82 HEMC HAM     6.40
         HE1    33 HEMC HT4A    7.00
         HE1    33 HEMC QT4     6.30
         HE1    82 HEMC HGM     6.20
         HE1    82 HEMC HDM     4.80
 26 LYS  
         HN     26 LYS  HA      2.80
         HN     26 LYS  QB      3.59
         HN     26 LYS  HG2     3.80
         HN     26 LYS  HG3     3.00
         HN     26 LYS  HD3     4.30
         HN     28 VAL  HN      6.50
         HA     26 LYS  QB      2.69
         HA     26 LYS  HG3     3.10
         HA     33 HEMC HT2A    7.00
         HG2    33 HEMC HT2A    7.00
 27 SER  
         HA     27 SER  HB2     2.80
         HA     27 SER  HB3     2.80
 28 VAL  
         HN     28 VAL  HB      2.60
         HN     28 VAL  QG2     3.10
         HN     29 LYS  HN      4.70
         HN     33 HEMC QT4     8.00
         HN     33 HEMC QM3     4.70
         HA     28 VAL  QG1     3.40
         HA     28 VAL  QG2     3.10
         HA     29 LYS  HN      2.20
         HA     33 HEMC QM3     5.90
         HA     33 HEMC HT2A    7.00
         HB     29 LYS  HN      4.10
         HB     30 CYSH HA      6.90
         HB     33 HEMC QT4     4.70
         HB     33 HEMC QM3     3.30
         HB     33 HEMC HT2A    6.70
         HB     33 HEMC HAM     5.50
         HB     82 HEMC QM3     7.10
         HB     82 HEMC HBM     6.80
         QG1    29 LYS  HN      3.50
         QG1    33 HEMC HN      6.40
         QG1    33 HEMC QT4     5.60
         QG1    33 HEMC QM3     4.10
         QG1    33 HEMC HT2A    8.00
         QG1    33 HEMC HAM     7.10
         QG1    34 HISH HN      8.00
         QG1    82 HEMC HT4A    4.60
         QG1    82 HEMC QT4     4.60
         QG1    82 HEMC HBM     5.00
         QG1    82 HEMC HAM     8.00
         QG2    29 LYS  HN      4.80
         QG2    33 HEMC QM3     4.70
         QG2    33 HEMC HAM     7.20
         QG2    82 HEMC HT4A    3.60
         QG2    82 HEMC HBM     3.70
         QG2    82 HEMC QM5     4.70
 29 LYS  
         HN     29 LYS  HB2     3.00
         HN     29 LYS  HB3     3.20
         HN     29 LYS  QG      4.40
         HN     29 LYS  QE      7.80
         HN     30 CYSH HN      5.00
         HN     32 ASP- HN      5.00
         HN     32 ASP- HB2     4.80
         HN     33 HEMC QM3     5.50
         HN     82 HEMC QT4     8.00
         HA     29 LYS  HB2     3.00
         HA     29 LYS  HB3     2.90
         HA     30 CYSH HN      2.50
         HA     30 CYSH HA      4.80
         HA     33 HEMC HT2A    5.90
         HA     33 HEMC HAM     5.80
         HB2    30 CYSH HN      4.80
         HB2    32 ASP- HN      4.60
         HB3    30 CYSH HN      3.90
         HB3    30 CYSH HA      7.00
         HB3    32 ASP- HN      4.90
         HB3    33 HEMC HT2A    7.00
         QG     30 CYSH HN      8.00
         QD     30 CYSH HN      8.00
 30 CYSH 
         HN     31 GLY  HA2     5.30
         HN     33 HEMC HN      7.00
         HN     33 HEMC QM3     5.30
         HN     33 HEMC HT2A    3.80
         HN     33 HEMC QT2     5.50
         HN     33 HEMC HAM     4.30
         HN     34 HISH HD2     7.00
         HN     43 TYRF HQE1    6.30
         HA     32 ASP- HN      6.00
         HA     33 HEMC HB2     5.80
         HA     33 HEMC HB3     6.00
         HA     33 HEMC QT4     7.10
         HA     33 HEMC QM1     8.00
         HA     33 HEMC HT2A    2.90
         HA     33 HEMC HAM     2.60
         HA     34 HISH HD2     3.80
         HA     43 TYRF HQE1    6.00
         QB     33 HEMC HT2A    5.00
         QB     33 HEMC HAM     5.40
         QB     34 HISH HD2     5.00
         QB     43 TYRF HQD1    5.10
         QB     43 TYRF HQE1    4.40
 31 GLY  
         HN     31 GLY  HA1     2.90
         HN     31 GLY  HA2     2.70
         HN     32 ASP- HN      3.40
         HN     33 HEMC HN      5.10
         HN     33 HEMC HAM     7.00
         HN     34 HISH HN      5.00
         HN     43 TYRF HQE1    5.60
         HA1    43 TYRF HQD1    6.40
         HA1    43 TYRF HQE1    6.10
         HA2    34 HISH HN      5.60
 32 ASP- 
         HN     32 ASP- HB2     3.00
         HN     32 ASP- HB3     2.60
         HN     33 HEMC HN      2.60
         HN     33 HEMC HA      6.20
         HN     33 HEMC HAM     7.00
         HN     34 HISH HN      3.90
         HN     34 HISH HD2     7.00
         HA     32 ASP- HB2     2.50
         HA     34 HISH HN      5.40
         HB2    33 HEMC HN      4.00
         HB2    33 HEMC HA      6.40
         HB3    33 HEMC HN      3.50
 33 HEMC 
         HN     33 HEMC HB2     3.20
         HN     33 HEMC HB3     3.50
         HN     33 HEMC HT4A    7.00
         HN     33 HEMC QT4     8.00
         HN     33 HEMC QM3     5.00
         HN     34 HISH HB2     4.80
         HN     34 HISH HD2     4.50
         HN     35 HISH HN      7.00
         HN     51 HEMC QT2     8.00
         HA     34 HISH HD2     7.00
         HA     35 HISH HB3     5.70
         HA     51 HEMC QM1     5.40
         HA     51 HEMC QT2     5.40
         HA     82 HEMC QT4     6.90
         HB2    33 HEMC HT4A    3.80
         HB2    33 HEMC HBM     4.40
         HB2    34 HISH HN      3.10
         HB2    34 HISH HD2     5.40
         HB2    51 HEMC QT2     4.90
         HB3    33 HEMC HT4A    3.60
         HB3    33 HEMC QT4     5.70
         HB3    33 HEMC HBM     4.30
         HB3    34 HISH HD2     4.10
         HB3    51 HEMC QM1     5.70
         HT4A   34 HISH HN      7.00
         HT4A   51 HEMC QM1     7.30
         HT4A   51 HEMC QT2     5.10
         HT4A   82 HEMC QM3     5.30
         HT4A   82 HEMC HT2A    5.40
         HT4A   82 HEMC QT2     4.50
         HT4A   82 HEMC HAM     5.10
         QT4    79 CYSH HA      6.00
         QT4    82 HEMC HT4A    7.30
         QT4    82 HEMC QT4     6.10
         QT4    82 HEMC QM3     4.80
         QT4    82 HEMC HBM     7.60
         QT4    82 HEMC HT2A    5.00
         QT4    82 HEMC QT2     6.80
         QT4    82 HEMC HAM     4.40
         QM3    34 HISH HD2     5.90
         QM3    82 HEMC HBM     8.00
         QM3    82 HEMC HAM     8.00
         HBM    33 HEMC QA6     7.89
         HBM    33 HEMC QB6     7.89
         HBM    34 HISH HD2     7.00
         HBM    34 HISH HE1     7.00
         HBM    51 HEMC QM1     6.20
         HBM    51 HEMC QT2     4.70
         HBM    69 MET  QE      8.00
         HBM    82 HEMC QM3     8.00
         HBM    82 HEMC HT2A    6.10
         HBM    82 HEMC QT2     4.60
         HBM    82 HEMC HAM     6.30
         QM5    33 HEMC HA62    6.20
         QM5    33 HEMC HA63    6.20
         QM5    33 HEMC QA6     5.56
         QM5    33 HEMC QB6     4.99
         QM5    45 LYS  HA      5.90
         QM5    46 CYSH HN      6.20
         QM5    51 HEMC QM1     6.40
         QM5    51 HEMC QT2     5.00
         QM5    51 HEMC HAM     7.80
         QM5    82 HEMC HT2A    5.20
         QM5    82 HEMC HAM     6.10
         HA62   33 HEMC HGM     3.30
         HA62   45 LYS  HA      3.60
         HA62   46 CYSH HN      4.00
         HA63   33 HEMC HGM     3.30
         HA63   45 LYS  HA      3.60
         HA63   46 CYSH HN      4.00
         QA6    33 HEMC HGM     3.08
         QA6    34 HISH HE1     6.39
         QA6    45 LYS  HA      3.29
         QA6    45 LYS  HB2     6.79
         QA6    45 LYS  HG2     7.89
         QA6    51 HEMC QT2     8.89
         HB62   33 HEMC HGM     4.40
         HB62   46 CYSH HN      4.80
         HB63   33 HEMC HGM     4.40
         HB63   46 CYSH HN      4.80
         QB6    33 HEMC HGM     4.16
         QB6    45 LYS  HA      4.79
         QB6    46 CYSH HN      4.37
         QB6    47 GLY  HN      5.39
         QB6    51 HEMC QT2     8.59
         HGM    33 HEMC QA7     4.19
         HGM    34 HISH HE1     4.40
         HGM    44 ARG  HA      5.80
         HGM    45 LYS  HN      7.00
         HGM    45 LYS  HA      3.50
         HGM    45 LYS  HB2     5.90
         HGM    45 LYS  HB3     5.20
         HGM    45 LYS  HG2     4.90
         HGM    45 LYS  HG3     4.00
         HGM    46 CYSH HN      5.00
         QA7    33 HEMC HDM     6.29
         QA7    34 HISH HE1     6.59
         QA7    43 TYRF QD     10.03
         QB7    44 ARG  HA      4.80
         QB7    45 LYS  HN      5.20
         QB7    45 LYS  HA      6.60
         QM8    34 HISH HE1     6.10
         QM8    43 TYRF HA      5.10
         QM8    43 TYRF QB      6.50
         QM8    43 TYRF QD      8.24
         HDM    34 HISH HD2     7.00
         HDM    34 HISH HE1     7.00
         HDM    43 TYRF HA      4.70
         HDM    43 TYRF QB      5.80
         HDM    43 TYRF QD      6.94
         HDM    43 TYRF QE      8.23
         HDM    44 ARG  HN      7.00
         QM1    43 TYRF QD      6.94
         QM1    43 TYRF QE      6.73
         HT2A   34 HISH HD2     5.40
         HAM    34 HISH HD2     4.60
         HAM    43 TYRF HQD1    7.00
         HAM    43 TYRF HQE1    7.00
 34 HISH 
         HN     34 HISH HB2     3.10
         HN     34 HISH HB3     3.80
         HN     34 HISH HD1     5.10
         HN     34 HISH HD2     3.30
         HN     35 HISH HN      4.80
         HN     43 TYRF HQD1    6.60
         HN     51 HEMC QT2     6.30
         HA     34 HISH HD1     3.40
         HA     34 HISH HE1     6.20
         HA     35 HISH HB3     5.50
         HA     35 HISH HD2     5.10
         HA     44 ARG  HN      6.30
         HA     51 HEMC HT2A    6.10
         HA     51 HEMC HAM     6.50
         HB2    43 TYRF HA      4.50
         HB2    43 TYRF HQD1    4.00
         HB2    43 TYRF HQE1    5.30
         HB3    43 TYRF HQD1    3.90
         HB3    43 TYRF QE      6.93
         HD1    43 TYRF HN      7.00
         HD1    43 TYRF HA      3.70
         HD1    43 TYRF QB      5.80
         HD1    43 TYRF HQD1    5.70
         HD1    44 ARG  HN      3.50
         HD1    51 HEMC QM3     5.80
         HD1    51 HEMC HT2A    6.50
         HD1    51 HEMC QT2     4.30
         HD1    51 HEMC HAM     6.40
         HD2    43 TYRF HQD1    4.20
         HD2    43 TYRF QE      6.53
         HE1    43 TYRF HA      4.90
         HE1    43 TYRF HQD1    6.40
         HE1    44 ARG  HN      4.80
         HE1    44 ARG  HA      6.90
         HE1    45 LYS  HA      4.90
         HE1    46 CYSH HN      6.80
         HE1    51 HEMC HT2A    5.60
         HE1    51 HEMC QT2     4.40
         HE1    51 HEMC HAM     7.00
 35 HISH 
         HN     35 HISH HB2     4.00
         HN     35 HISH HB3     3.20
         HN     35 HISH HD2     3.40
         HN     51 HEMC QT2     5.90
         HA     35 HISH HB2     3.00
         HA     35 HISH HD1     6.00
         HA     35 HISH HD2     5.30
         HA     36 PRO  HD2     2.60
         HA     76 PHEF HQD2    5.10
         HA     76 PHEF HZ      6.90
         HB2    35 HISH HD1     3.60
         HB2    35 HISH HE1     5.10
         HB2    36 PRO  QG      7.60
         HB2    36 PRO  HD2     3.10
         HB2    36 PRO  HD3     3.20
         HB2    76 PHEF QD      6.44
         HB2    76 PHEF QE      6.73
         HB2    76 PHEF HZ      5.10
         HB3    35 HISH HD2     3.70
         HB3    36 PRO  HD2     3.70
         HB3    36 PRO  HD3     4.00
         HB3    76 PHEF HB2     4.60
         HB3    76 PHEF QD      6.44
         HB3    76 PHEF QE      7.03
         HB3    76 PHEF HZ      6.60
         HD1    36 PRO  HD2     5.40
         HD1    36 PRO  HD3     5.80
         HD1    37 VAL  HA      4.40
         HD1    37 VAL  QG1     5.60
         HD1    37 VAL  QG2     3.60
         HD1    51 HEMC HBM     7.00
         HD1    51 HEMC QB6     7.20
         HD1    76 PHEF QD      7.74
         HD1    76 PHEF QE      6.33
         HD1    76 PHEF HZ      4.80
         HD2    37 VAL  QG2     6.80
         HD2    51 HEMC QM8     6.80
         HD2    51 HEMC HDM     5.00
         HD2    51 HEMC QM1     6.10
         HD2    51 HEMC HAM     6.30
         HD2    68 VAL  QG1     8.00
         HD2    68 VAL  QG2     8.00
         HD2    76 PHEF HB2     5.90
         HD2    76 PHEF HB3     5.40
         HD2    76 PHEF QD      6.54
         HD2    76 PHEF QE      8.63
         HD2    76 PHEF HZ      7.00
         HE1    37 VAL  HN      6.50
         HE1    37 VAL  HA      4.80
         HE1    37 VAL  QG2     3.00
         HE1    51 HEMC HT4A    5.10
         HE1    51 HEMC HBM     4.70
         HE1    51 HEMC HGM     6.50
         HE1    51 HEMC HAM     7.00
         HE1    76 PHEF HQD1    5.80
         HE1    76 PHEF HQE1    4.60
         HE1    76 PHEF HZ      6.20
 36 PRO  
         HA     37 VAL  HN      2.70
         HA     42 ASP- HN      6.10
         QB     40 LYS  HA      7.38
         QB     41 GLU- HA      5.58
         QB     76 PHEF HZ      7.88
         QG     76 PHEF HQE2    6.60
         QG     76 PHEF HZ      6.90
         HD2    76 PHEF HQD2    6.60
         HD2    76 PHEF HQE2    4.70
         HD2    76 PHEF HZ      5.40
         HD3    37 VAL  QG2     8.00
         HD3    41 GLU- QG      4.30
         HD3    76 PHEF HZ      6.20
 37 VAL  
         HN     37 VAL  QG2     4.40
         HN     40 LYS  QB      8.00
         HN     41 GLU- HA      6.80
         HA     37 VAL  QG1     3.20
         HA     37 VAL  QG2     3.20
         HA     76 PHEF HQE1    7.00
         HA     76 PHEF HZ      7.00
         HB     51 HEMC HT4A    7.00
         HB     51 HEMC HBM     6.90
         QG1    38 ASN  HA      7.10
         QG1    38 ASN  HB2     4.00
         QG1    51 HEMC HT4A    5.30
         QG1    51 HEMC QT4     4.40
         QG1    51 HEMC HBM     4.70
         QG1    51 HEMC QM5     5.00
         QG2    38 ASN  HA      8.00
         QG2    38 ASN  HB2     7.50
         QG2    40 LYS  QB      9.00
         QG2    51 HEMC HA      7.50
         QG2    51 HEMC HB3     8.00
         QG2    51 HEMC HT4A    4.80
         QG2    51 HEMC QM3     6.40
         QG2    51 HEMC HBM     4.40
         QG2    51 HEMC QM5     5.40
         QG2    51 HEMC QB6     7.70
         QG2    51 HEMC HAM     8.00
         QG2    76 PHEF HQD1    8.00
         QG2    76 PHEF HQE1    6.50
         QG2    76 PHEF HZ      8.00
 38 ASN  
         HA     38 ASN  HB3     2.90
 40 LYS  
         HN     40 LYS  QG      5.30
         HA     40 LYS  QE      8.00
 41 GLU- 
         HA     42 ASP- HN      2.60
         QB     43 TYRF HQD1    7.90
         QB     43 TYRF QE      7.73
         QG     42 ASP- HN      7.70
         QG     43 TYRF HN      8.00
         QG     43 TYRF HQE1    7.60
 42 ASP- 
         HN     43 TYRF HQD1    7.00
         HA     43 TYRF HN      3.10
         HA     43 TYRF QD      7.04
         HA     43 TYRF QE      9.13
         HB2    43 TYRF HN      5.00
         HB3    43 TYRF HN      5.00
 43 TYRF 
         HN     43 TYRF QD      6.64
         HA     44 ARG  HN      2.80
         HQD1   44 ARG  HN      5.80
 44 ARG  
         HN     44 ARG  HG2     4.70
         HN     44 ARG  QD      8.00
         HN     45 LYS  HN      6.00
         HN     51 HEMC QM3     5.30
         HA     44 ARG  HG2     3.80
         HA     45 LYS  HN      2.80
         HA     45 LYS  HG2     6.00
         HB2    45 LYS  HN      4.10
         HB2    45 LYS  HA      7.00
         HB3    45 LYS  HN      4.10
         HB3    45 LYS  HA      7.00
         QB     45 LYS  HA      6.51
         QB     51 HEMC QM3     4.98
         HG2    45 LYS  HN      4.40
         HG2    45 LYS  HA      5.70
         HG2    45 LYS  HG3     6.20
         HG2    46 CYSH HA      7.00
         QD     45 LYS  HN      7.40
         QD     51 HEMC QT4     6.00
         QD     51 HEMC HAM     8.00
 45 LYS  
         HN     45 LYS  HB2     3.60
         HA     45 LYS  HG2     3.80
         HA     47 GLY  HN      5.00
         HB2    45 LYS  QE      5.60
         HB3    45 LYS  QE      6.10
         HB3    47 GLY  HN      3.80
         HB3    48 THR  HN      5.10
         HG3    47 GLY  HN      5.50
         QD     48 THR  HA      6.60
 46 CYSH 
         HN     47 GLY  HN      5.00
         HN     48 THR  HN      6.00
         HN     51 HEMC HT2A    3.80
         HN     51 HEMC QT2     5.50
         HN     51 HEMC HAM     5.30
         HN     52 HISH HD2     5.70
         HN     65 TYRF HQE1    7.00
         HA     47 GLY  HA1     5.40
         HA     48 THR  HN      4.70
         HA     48 THR  HB      5.50
         HA     51 HEMC HB2     4.40
         HA     51 HEMC HB3     7.00
         HA     51 HEMC QT4     8.00
         HA     51 HEMC QM3     3.60
         HA     51 HEMC QM1     8.00
         HA     51 HEMC HT2A    3.80
         HA     51 HEMC HAM     2.70
         HA     52 HISH HN      6.90
         HA     52 HISH HB2     5.80
         HA     52 HISH HD2     3.70
         HA     65 TYRF HQD1    6.80
         HA     65 TYRF HQE1    5.20
         HA     68 VAL  QG2     7.50
         HA     69 MET  QE      6.30
         QB     51 HEMC QM1     9.00
         QB     51 HEMC HT2A    5.90
         QB     51 HEMC QT2     9.00
         QB     51 HEMC HAM     5.30
         QB     52 HISH HD2     4.70
         QB     65 TYRF HQD1    6.10
         QB     65 TYRF HQE1    5.70
         QB     68 VAL  QG2     7.70
         QB     69 MET  QE      5.30
 47 GLY  
         HN     47 GLY  HA2     2.80
         HN     48 THR  HN      3.50
         HN     48 THR  HA      6.70
         HN     52 HISH HN      7.00
         HN     52 HISH HD2     5.60
         HN     65 TYRF HQD1    5.20
         HN     65 TYRF HQE1    4.20
         HN     69 MET  QE      8.00
         HA1    52 HISH HN      3.80
         HA1    52 HISH HD2     5.00
         HA1    65 TYRF HQD1    3.80
         HA1    65 TYRF HQE1    3.80
         HA2    52 HISH HN      5.80
         HA2    65 TYRF HQD1    4.00
         HA2    65 TYRF HQE1    3.80
 48 THR  
         HN     48 THR  QG2     4.30
         HN     49 ALA  HN      6.10
         HN     51 HEMC HB2     4.20
         HN     51 HEMC QM3     6.10
         HN     52 HISH HN      5.30
         HA     48 THR  QG2     3.20
         HA     49 ALA  HN      2.80
         HB     51 HEMC HB2     3.40
         QG2    49 ALA  HN      3.80
         QG2    50 GLY  HN      8.00
         QG2    51 HEMC HN      5.30
         QG2    51 HEMC HT4A    7.20
         QG2    51 HEMC HBM     7.90
 49 ALA  
         HN     49 ALA  QB      3.20
         HN     50 GLY  HN      5.70
         HA     50 GLY  HN      2.40
         HA     50 GLY  QA      5.68
         HA     51 HEMC HN      3.50
         HA     53 ASP- HB2     3.10
         HA     53 ASP- HB3     3.20
         QB     51 HEMC HN      6.20
 50 GLY  
         HN     51 HEMC HN      3.10
         HN     51 HEMC HB2     6.10
         HN     53 ASP- HA      5.50
         HN     53 ASP- HB2     4.30
         HN     53 ASP- HB3     4.30
 51 HEMC 
         HN     51 HEMC HB2     3.20
         HN     51 HEMC HB3     3.60
         HN     51 HEMC HT4A    5.20
         HN     51 HEMC HBM     6.00
         HN     52 HISH HN      3.90
         HN     52 HISH HA      7.00
         HN     53 ASP- HB3     5.20
         HA     51 HEMC HB3     2.70
         HA     51 HEMC HT4A    2.80
         HA     51 HEMC QT4     5.00
         HA     51 HEMC HBM     3.20
         HA     51 HEMC QM5     5.20
         HA     52 HISH HD2     7.00
         HB2    51 HEMC HT4A    4.50
         HB2    51 HEMC HBM     5.90
         HB2    51 HEMC HAM     7.00
         HB2    52 HISH HN      2.70
         HB2    52 HISH HD2     4.20
         HB3    51 HEMC HT4A    3.90
         HB3    51 HEMC QM3     4.40
         HB3    51 HEMC HBM     4.50
         HB3    51 HEMC QM5     5.90
         HB3    51 HEMC HAM     6.90
         HT4A   52 HISH HN      5.40
         HT4A   52 HISH HE1     7.00
         QM3    52 HISH HD2     5.30
         HBM    52 HISH HN      7.00
         HBM    52 HISH HE1     7.00
         QM5    51 HEMC HA62    4.40
         QM5    51 HEMC HA63    3.90
         QM5    51 HEMC QB6     5.90
         QM5    52 HISH HE1     7.00
         QM5    76 PHEF HQE1    8.00
         HA62   68 VAL  QG1     6.50
         HA62   76 PHEF HZ      7.00
         HA63   51 HEMC HGM     3.20
         HA63   62 ALA  QB      4.10
         HA63   76 PHEF HQE1    5.30
         QB6    51 HEMC HGM     4.70
         QB6    76 PHEF HQD1    6.00
         QB6    76 PHEF HQE1    4.40
         QB6    76 PHEF HZ      5.80
         HGM    51 HEMC HA73    3.60
         HGM    51 HEMC HB73    3.50
         HGM    52 HISH HE1     4.40
         HGM    62 ALA  HA      5.00
         HGM    62 ALA  QB      4.00
         HGM    68 VAL  QG1     6.30
         HGM    74 THR  HA      7.00
         HGM    74 THR  HB      5.10
         HGM    75 LYS  HN      6.50
         HGM    75 LYS  HB2     6.20
         HGM    75 LYS  HB3     4.80
         HGM    76 PHEF HN      5.10
         HGM    76 PHEF HA      7.00
         HGM    76 PHEF HQD1    3.90
         HGM    76 PHEF HQE1    3.40
         HGM    76 PHEF HZ      7.00
         HA72   68 VAL  QG1     8.00
         HA72   74 THR  HB      3.80
         HA72   75 LYS  HN      4.10
         HA72   75 LYS  HG2     6.90
         HA72   76 PHEF HN      3.50
         HA72   76 PHEF HQD1    3.90
         HA72   76 PHEF HZ      7.00
         HA73   51 HEMC QM8     4.30
         HA73   68 VAL  QG1     5.80
         HA73   74 THR  QG2     5.30
         HA73   75 LYS  HN      4.80
         HA73   76 PHEF HQD1    4.00
         HA73   76 PHEF HQE1    7.00
         HB72   51 HEMC HDM     6.70
         HB72   62 ALA  HA      3.60
         HB72   67 HIS  HD2     4.50
         HB72   68 VAL  QG1     3.80
         HB72   74 THR  HB      3.90
         HB72   74 THR  QG2     4.30
         HB73   62 ALA  HA      3.40
         HB73   62 ALA  QB      3.90
         HB73   67 HIS  HD2     3.80
         HB73   68 VAL  QG1     3.80
         HB73   68 VAL  QG2     8.00
         HB73   74 THR  HB      3.90
         HB73   74 THR  QG2     4.40
         QM8    67 HIS  HD2     6.80
         QM8    68 VAL  HN      6.20
         QM8    68 VAL  HA      3.60
         QM8    68 VAL  HB      3.40
         QM8    68 VAL  QG1     5.10
         QM8    68 VAL  QG2     5.60
         QM8    74 THR  HA      6.00
         QM8    74 THR  HB      3.80
         QM8    74 THR  QG2     5.00
         QM8    75 LYS  HN      6.90
         QM8    76 PHEF HN      4.30
         QM8    76 PHEF HQD1    4.70
         QM8    77 LYS  HN      6.90
         QM8    78 SER  HN      8.00
         QM8    78 SER  HA      5.00
         QM8    78 SER  HB3     4.60
         HDM    68 VAL  HN      7.00
         HDM    68 VAL  HA      4.80
         HDM    68 VAL  HB      3.20
         HDM    68 VAL  QG1     4.80
         HDM    68 VAL  QG2     4.70
         HDM    69 MET  HA      7.00
         HDM    69 MET  QE      7.70
         HDM    76 PHEF HB2     6.70
         HDM    78 SER  HA      4.90
         HDM    82 HEMC QT2     8.00
         QM1    65 TYRF HQE1    8.00
         QM1    69 MET  QE      4.70
         QM1    82 HEMC HT2A    6.60
         QM1    82 HEMC QT2     6.00
         QM1    82 HEMC HAM     8.00
         HT2A   52 HISH HD2     5.20
         QT2    82 HEMC QT2     7.90
         HAM    52 HISH HD2     4.60
         HAM    68 VAL  QG2     8.00
 52 HISH 
         HN     52 HISH HB3     4.10
         HN     52 HISH HD1     5.50
         HN     52 HISH HD2     4.10
         HN     53 ASP- HN      4.70
         HN     53 ASP- HA      7.00
         HN     65 TYRF HQD1    5.70
         HN     68 VAL  QG2     8.00
         HA     52 HISH HD1     3.20
         HA     53 ASP- HN      2.70
         HA     63 LYS  HA      3.20
         HA     65 TYRF HQD1    5.40
         HA     68 VAL  QG1     7.00
         HA     68 VAL  QG2     7.00
         HB2    52 HISH HD2     3.50
         HB2    65 TYRF HQD1    3.40
         HB2    65 TYRF HQE1    5.20
         HB2    68 VAL  QG2     4.60
         HB3    65 TYRF HA      3.50
         HB3    65 TYRF HQD1    3.30
         HB3    65 TYRF HQE1    5.00
         HB3    68 VAL  QG1     7.20
         HB3    68 VAL  QG2     4.30
         HD1    53 ASP- HN      5.10
         HD1    62 ALA  HA      7.00
         HD1    62 ALA  QB      8.00
         HD1    63 LYS  HN      5.00
         HD1    63 LYS  HA      3.10
         HD1    63 LYS  QB      7.20
         HD1    64 GLY  HN      5.00
         HD1    65 TYRF HQD1    7.00
         HD1    67 HIS  HD2     7.00
         HD1    68 VAL  HB      7.00
         HD1    68 VAL  QG1     4.20
         HD1    68 VAL  QG2     4.40
         HD2    65 TYRF HQD1    5.50
         HD2    65 TYRF HQE1    6.70
         HD2    68 VAL  HB      5.30
         HD2    68 VAL  QG1     7.40
         HD2    68 VAL  QG2     5.10
         HD2    69 MET  QE      6.80
         HE1    67 HIS  HD2     5.60
         HE1    68 VAL  HN      7.00
         HE1    68 VAL  HB      5.50
         HE1    68 VAL  QG1     3.60
         HE1    68 VAL  QG2     4.40
         HE1    76 PHEF HQD1    7.00
 53 ASP- 
         HN     54 SER  HN      3.60
         HN     63 LYS  HA      4.20
         HN     63 LYS  QG      7.08
         HN     65 TYRF HN      5.60
         HA     53 ASP- HB2     2.70
         HA     53 ASP- HB3     2.90
         HA     54 SER  QB      6.98
         HA     55 MET  QE      3.80
         HA     65 TYRF QD      6.44
 54 SER  
         HN     65 TYRF HB2     6.20
         HN     65 TYRF HB3     6.10
 55 MET  
         HA     55 MET  HB3     2.90
         HA     55 MET  HG2     4.00
         HA     55 MET  HG3     3.00
         HA     55 MET  QE      4.60
         HA     65 TYRF HB3     5.00
         HA     65 TYRF QD      7.24
         HB3    55 MET  HG2     2.30
         HB3    55 MET  HG3     3.00
         HG2    55 MET  QE      4.00
         QE     65 TYRF HB2     4.30
         QE     65 TYRF HB3     5.00
         QE     65 TYRF QD      6.34
         QE     65 TYRF QE      7.73
 56 ASP- 
         HB2    59 ASP- HN      7.00
         HB3    59 ASP- HN      6.90
         HB3    59 ASP- HA      5.60
 57 LYS  
         HA     57 LYS  HG2     3.00
         HA     66 TYRF HN      4.80
         HA     66 TYRF HB2     3.80
         HA     66 TYRF HB3     3.00
         HA     66 TYRF QD      6.24
         HA     67 HIS  HN      5.20
         QB     66 TYRF HB3     7.88
         QB     66 TYRF QD      7.12
         HG2    66 TYRF QD      7.44
         HG3    66 TYRF QD      7.34
         HG3   105 HEMC QM8     4.50
 58 LYS  
         HA     66 TYRF HQD1    7.00
         QB     59 ASP- HN      6.60
 60 LYS  
         HA     60 LYS  QD      4.60
         HA     61 SER  HA      5.10
         HA     64 GLY  HA2     3.70
         HA     67 HIS  HE1     5.10
         HB2    67 HIS  HE1     6.20
         HB3    67 HIS  HE1     6.20
         QB     67 HIS  HE1     5.75
         QD     66 TYRF HQD1    7.70
         QD     67 HIS  HE1     7.20
 61 SER  
         HA     63 LYS  HN      6.00
         HA     67 HIS  HD2     6.40
 62 ALA  
         HA     68 VAL  QG1     4.10
         QB     63 LYS  HN      4.30
         QB     64 GLY  HN      5.90
         QB     67 HIS  HD2     5.30
         QB     68 VAL  QG1     5.70
         QB     74 THR  HB      7.40
         QB     76 PHEF HQE1    8.00
 63 LYS  
         HN     63 LYS  HG2     3.50
         HN     63 LYS  HG3     3.50
         HN     64 GLY  HN      3.60
         HN     67 HIS  HD2     7.00
         HN     68 VAL  QG1     8.00
         HA     63 LYS  QG      3.66
         QB     64 GLY  HN      5.80
         QG     64 GLY  HN      4.98
 64 GLY  
         HN     67 HIS  HN      5.80
         HN     67 HIS  HD2     5.10
         HN     68 VAL  QG1     5.90
         HA1    65 TYRF HN      3.30
         HA1    67 HIS  HD2     5.40
         HA2    67 HIS  HN      5.50
 65 TYRF 
         HN     65 TYRF HB2     3.20
         HN     65 TYRF HB3     3.60
         HN     65 TYRF QD      6.24
         HN     66 TYRF HN      4.30
         HN     68 VAL  QG2     6.60
         HA     65 TYRF HB2     2.80
         HA     65 TYRF HQE1    5.00
         HA     68 VAL  QG1     5.60
         HA     68 VAL  QG2     3.50
         HB2    68 VAL  QG2     6.50
         HB3    66 TYRF HN      4.30
         HB3    68 VAL  QG2     8.00
         HQD1   68 VAL  QG2     5.30
         HQD1   69 MET  QE      4.30
         HQD2   66 TYRF HN      4.00
         HQD2   66 TYRF QD      9.04
         HQD2  105 HEMC HA62    4.60
         HQD2  105 HEMC HA63    4.10
         HQE1   68 VAL  QG2     6.50
         HQE1   69 MET  QE      4.00
         HQE2   66 TYRF HN      7.00
         HQE2  105 HEMC QM5     5.50
         HQE2  105 HEMC HA62    3.00
         HQE2  105 HEMC HA63    3.20
         HQE2  105 HEMC HB62    4.20
         HQE2  105 HEMC HB63    4.40
         HQE2  105 HEMC HGM     4.00
         QD    105 HEMC QM5     8.74
         QE     66 TYRF QD     11.27
 66 TYRF 
         HN     66 TYRF HB2     3.40
         HN     66 TYRF QD      6.44
         HN     67 HIS  HN      3.80
         HN     67 HIS  QB      8.00
         HN     70 HISH HD1     7.00
         HA     69 MET  HB2     5.30
         HA     70 HISH HE1     4.30
         HA    105 HEMC HGM     7.00
         HB2    67 HIS  HN      4.80
         HB2    70 HISH HD1     4.70
         HB2    70 HISH HE1     5.50
         HQD1   67 HIS  HN      3.90
         HQD1   67 HIS  HA      3.70
         HQD1   67 HIS  QB      6.10
         HQD2   70 HISH HE1     3.40
         HQD2  105 HEMC HGM     5.80
         HQD2  105 HEMC HA72    5.30
         HQD2  105 HEMC HA73    3.10
         HQD2  105 HEMC HB72    3.30
         HQD2  105 HEMC HB73    3.50
         HQD2  105 HEMC QM8     5.10
         HQD2  105 HEMC HDM     5.40
         HQE1   67 HIS  HN      7.00
         HQE1   70 HISH HB2     4.80
         HQE2   70 HISH HD2     5.80
         HQE2   70 HISH HE1     4.30
         HQE2  105 HEMC QM8     3.40
         HQE2  105 HEMC HDM     4.00
         HQE2  105 HEMC QM1     6.90
         QD     70 HISH HB2     7.04
         QD     70 HISH HB3     7.34
         QE     70 HISH HB3     7.43
         QE     70 HISH HD1     8.73
 67 HIS  
         HN     67 HIS  QB      3.50
         HN     67 HIS  HD2     5.20
         HN     68 VAL  HN      3.80
         HN     68 VAL  QG1     6.30
         HN     68 VAL  QG2     5.80
         HN     70 HISH HN      7.00
         HN     70 HISH HD1     6.80
         HA     70 HISH HN      4.50
         HA     70 HISH HB2     5.20
         HA     71 ASP- QB      5.30
         HA     74 THR  QG2     6.10
         QB     68 VAL  HN      5.10
         QB     71 ASP- HN      6.70
         HD2    68 VAL  HN      5.50
         HD2    68 VAL  HA      5.10
         HD2    68 VAL  HB      6.10
         HD2    68 VAL  QG1     3.40
         HD2    68 VAL  QG2     4.90
         HD2    74 THR  HB      6.30
         HD2    74 THR  QG2     5.50
         HE1    68 VAL  HA      7.00
         HE1    68 VAL  QG1     8.00
         HE1    71 ASP- HA      6.60
         HE1    71 ASP- QB      5.50
         HE1    73 ASN  HB2     6.90
         HE1    73 ASN  HB3     6.90
         HE1    73 ASN  QB      6.65
         HE1    74 THR  HA      5.90
         HE1    74 THR  HB      7.00
         HE1    74 THR  QG2     4.00
 68 VAL  
         HN     69 MET  HN      3.10
         HN     69 MET  QG      6.90
         HN     70 HISH HN      5.30
         HN     71 ASP- HN      5.90
         HN     74 THR  QG2     8.00
         HA     68 VAL  HB      2.80
         HA     68 VAL  QG1     3.30
         HA     68 VAL  QG2     3.70
         HA     70 HISH HN      5.60
         HA     71 ASP- HN      4.80
         HA     74 THR  QG2     4.80
         HA     78 SER  HA      5.70
         HA     78 SER  HB2     3.90
         HB     78 SER  HA      6.10
         QG1    69 MET  HN      5.40
         QG1    69 MET  QE      6.20
         QG1    74 THR  HA      8.00
         QG1    74 THR  HB      6.10
         QG1    74 THR  QG2     6.60
         QG1    76 PHEF HQE1    8.00
         QG1    78 SER  HN      8.00
         QG1    78 SER  HA      7.30
         QG1    78 SER  HB3     8.00
         QG2    69 MET  HN      4.10
         QG2    69 MET  HA      7.50
         QG2    69 MET  HB2     6.80
         QG2    69 MET  QG      6.20
         QG2    69 MET  QE      4.50
         QG2    70 HISH HN      6.00
         QG2    74 THR  QG2     7.30
         QG2    78 SER  HA      7.70
 69 MET  
         HN     69 MET  HB2     3.60
         HN     69 MET  QG      4.50
         HN     69 MET  QE      6.20
         HN     71 ASP- HN      4.50
         HA     70 HISH HD2     7.00
         HA     78 SER  HA      5.40
         HA     78 SER  HB2     4.30
         HA     79 CYSH HN      3.80
         HA     80 VAL  QG2     8.00
         HB2    69 MET  QE      7.40
         HB2    70 HISH HN      4.10
         HB2    70 HISH HD1     3.30
         HB2   105 HEMC HBM     6.50
         HB2   105 HEMC QM5     5.20
         HB3    69 MET  QE      5.50
         HB3    70 HISH HN      5.60
         HB3    70 HISH HD1     3.80
         HB3    79 CYSH HN      6.00
         HB3    79 CYSH HB2     6.40
         HB3   105 HEMC HBM     5.40
         HB3   105 HEMC QM5     3.70
         QG     70 HISH HD1     6.40
         QG    105 HEMC HBM     8.00
         QG    105 HEMC QM5     6.00
         QE    105 HEMC QM5     6.90
 70 HISH 
         HN     70 HISH HB2     3.20
         HN     70 HISH HB3     3.70
         HN     70 HISH HD1     3.00
         HN     70 HISH HD2     5.70
         HN     70 HISH HE1     5.20
         HN     71 ASP- HN      3.00
         HN     71 ASP- HA      5.80
         HN     71 ASP- QB      8.00
         HN     79 CYSH HB3     6.80
         HN     80 VAL  HB      7.00
         HN     80 VAL  QG1     8.00
         HN     80 VAL  QG2     6.80
         HN    105 HEMC QT2     8.00
         HA     70 HISH HB3     2.80
         HA     70 HISH HD2     3.80
         HA     80 VAL  HB      2.50
         HA     80 VAL  QG1     4.50
         HA     80 VAL  QG2     3.10
         HA     81 GLY  HN      4.40
         HA    105 HEMC HAM     5.40
         HB2    70 HISH HD1     3.20
         HB2    71 ASP- HN      3.90
         HB2    71 ASP- HA      5.70
         HB2    80 VAL  HB      4.70
         HB2    80 VAL  QG2     5.40
         HB3    70 HISH HD1     3.80
         HB3    70 HISH HD2     3.30
         HB3    71 ASP- HN      4.40
         HB3    71 ASP- HA      7.00
         HB3    80 VAL  QG1     6.30
         HB3    80 VAL  QG2     4.00
         HB3   105 HEMC QM1     8.00
         HD1    80 VAL  QG2     8.00
         HD2    80 VAL  HN      6.50
         HD2    80 VAL  HB      5.00
         HD2    80 VAL  QG1     5.80
         HD2   105 HEMC QT4     8.00
         HD2   105 HEMC QM3     5.30
         HD2   105 HEMC HBM     7.00
         HD2   105 HEMC HDM     7.00
         HD2   105 HEMC QM1     6.60
         HD2   105 HEMC HT2A    4.90
         HD2   105 HEMC QT2     4.40
         HD2   105 HEMC HAM     4.50
         HD2   106 HISH HD2     7.00
         HE1   105 HEMC HGM     4.90
         HE1   105 HEMC HDM     7.00
 71 ASP- 
         HN     74 THR  QG2     6.30
         HN     78 SER  HG      7.00
         HN     80 VAL  QG1     8.00
         HA     72 LYS  QG      5.68
         HA     74 THR  QG2     5.90
         HA     80 VAL  QG1     8.00
         HA     80 VAL  QG2     8.00
         QB     72 LYS  QG      8.88
         QB     74 THR  QG2     5.50
 72 LYS  
         HA     72 LYS  HG2     3.30
         HA     72 LYS  HG3     3.30
         HA     72 LYS  QG      3.08
         HA     72 LYS  QD      4.40
         HA     74 THR  QG2     5.80
         HA     80 VAL  QG1     6.40
         HA     81 GLY  HN      5.70
         HA     81 GLY  QA      4.48
         HG2    81 GLY  HA1     5.05
         HG2    81 GLY  HA2     5.05
         HG3    81 GLY  HA1     5.05
         HG3    81 GLY  HA2     5.05
         QG     80 VAL  QG1     6.08
         QG     81 GLY  QA      4.21
         QD     80 VAL  QG1     6.40
         QD     84 VAL  QG1     6.50
         QD     84 VAL  QG2     6.80
         QE     80 VAL  QG1     6.40
         QE     80 VAL  QG2     8.60
         QE     84 VAL  QG1     7.40
         QE     84 VAL  QG2     6.60
 74 THR  
         HA     74 THR  QG2     3.40
         HA     75 LYS  HN      3.50
         HA     76 PHEF HN      6.10
         HB     75 LYS  HN      4.10
         HB     75 LYS  HB2     6.90
         HB     75 LYS  HB3     5.00
         HB     75 LYS  HG2     6.80
         HB     76 PHEF HN      4.00
         HB     76 PHEF HQD1    5.80
         QG2    75 LYS  HN      4.90
         QG2    78 SER  HA      6.10
         QG2    78 SER  HB3     5.70
 75 LYS  
         HN     75 LYS  HB2     3.60
         HN     76 PHEF HN      4.20
         HN     76 PHEF QD      9.14
         HA     75 LYS  HB2     2.70
         HA     75 LYS  HG2     3.50
         HA     75 LYS  HG3     3.50
         HA     76 PHEF QD      9.14
         HA     76 PHEF QE      8.53
         HB2    76 PHEF HN      4.30
         HB2    76 PHEF HQE1    6.20
         HB2    76 PHEF HZ      7.00
         HB3    76 PHEF HN      3.70
         HB3    76 PHEF HQD1    4.40
         HB3    76 PHEF HQE1    4.20
         HB3    76 PHEF HZ      6.30
         HG2    76 PHEF QD      7.34
         HG2    76 PHEF HZ      5.60
         HG3    76 PHEF HA      6.50
         HG3    76 PHEF QD      8.14
         HG3    76 PHEF QE      7.43
         HG3    76 PHEF HZ      5.80
         QD     76 PHEF QD     10.14
         QD     76 PHEF QE      8.43
         QD     76 PHEF HZ      6.60
         QE     76 PHEF QE      8.13
         QE     76 PHEF HZ      5.70
 76 PHEF 
         HN     76 PHEF QE      8.63
         HN     77 LYS  HN      6.40
         HA     76 PHEF HB3     2.80
         HA     76 PHEF QE      5.42
         HA     76 PHEF HZ      7.00
         HB2    77 LYS  HN      3.90
         HQD2   77 LYS  HN      4.40
 77 LYS  
         HN     77 LYS  HB2     3.50
         HN     77 LYS  HB3     3.90
         HN     77 LYS  QG      4.48
         HN     77 LYS  QD      8.00
         HN     78 SER  HN      5.00
         HN     82 HEMC QT4     8.00
         HA     77 LYS  HG2     3.80
         HA     77 LYS  HG3     3.80
         HA     77 LYS  QG      3.60
         HA     77 LYS  QD      5.50
         HA     78 SER  HN      2.40
         HA     78 SER  HA      5.20
         HB2    82 HEMC HB2     4.50
         HB2    82 HEMC QM3     4.80
         HB3    78 SER  HN      3.60
         HB3    78 SER  HA      7.00
         HB3    82 HEMC QT4     4.80
         HB3    82 HEMC QM3     3.90
         HB3    82 HEMC HAM     7.00
         QG     78 SER  HN      5.88
         QG     82 HEMC HB2     6.08
         QG     82 HEMC QT4     6.08
         QD     78 SER  HN      6.50
 78 SER  
         HN     78 SER  HB2     4.10
         HN     78 SER  HB3     3.80
         HN     78 SER  HG      5.30
         HN     80 VAL  HN      7.00
         HN     81 GLY  HN      4.70
         HN     81 GLY  HA1     5.70
         HN     81 GLY  HA2     5.70
         HN     81 GLY  QA      4.97
         HN     82 HEMC HN      5.70
         HN     82 HEMC QM3     8.00
         HA     78 SER  HB2     2.80
         HA     78 SER  HB3     2.90
         HA     79 CYSH HN      2.80
         HA     79 CYSH HA      6.00
         HA     79 CYSH HB3     6.70
         HA     81 GLY  HN      6.10
         HA     82 HEMC HN      6.90
         HA     82 HEMC QM3     5.70
         HA     82 HEMC HAM     7.00
         HB2    79 CYSH HN      3.60
         HB2    80 VAL  QG2     8.00
         HB2    81 GLY  HN      6.10
         HB3    79 CYSH HN      4.10
         HB3    80 VAL  HN      6.50
         HB3    80 VAL  QG2     8.00
         HG     79 CYSH HN      6.60
         HG     81 GLY  HN      3.80
 79 CYSH 
         HN     79 CYSH HB2     3.70
         HN     79 CYSH HB3     4.00
         HN     80 VAL  HN      3.50
         HN     80 VAL  HB      5.30
         HN     80 VAL  QG1     8.00
         HN     80 VAL  QG2     6.40
         HN     81 GLY  HN      4.90
         HN     82 HEMC HN      6.30
         HN     82 HEMC QM3     5.60
         HN     82 HEMC HT2A    4.20
         HN     82 HEMC QT2     8.00
         HN     82 HEMC HAM     4.80
         HN    105 HEMC QT4     6.10
         HA     79 CYSH HB3     3.00
         HA     80 VAL  QG2     8.00
         HA     82 HEMC QM3     3.80
         HA     82 HEMC HT2A    3.00
         HA     82 HEMC QT2     5.40
         HA     82 HEMC HAM     2.70
         HA     83 HISH HN      5.60
         HA    105 HEMC QT4     5.20
         HB2    80 VAL  HN      2.80
         HB2    80 VAL  QG1     6.80
         HB2    80 VAL  QG2     4.40
         HB2    82 HEMC HAM     5.10
         HB2   105 HEMC HT4A    5.80
         HB2   105 HEMC QT4     3.70
         HB2   105 HEMC QM3     8.00
         HB2   105 HEMC HBM     6.00
         HB3    80 VAL  HN      3.20
         HB3    80 VAL  QG1     7.00
         HB3    80 VAL  QG2     4.90
         HB3    82 HEMC QM3     6.10
         HB3    82 HEMC HDM     7.00
         HB3    82 HEMC HT2A    4.40
         HB3    82 HEMC HAM     4.20
         HB3   105 HEMC HT4A    5.00
         HB3   105 HEMC QT4     3.30
         HB3   105 HEMC HBM     6.90
 80 VAL  
         HN     80 VAL  HB      2.70
         HN     80 VAL  QG1     4.30
         HN     80 VAL  QG2     3.00
         HN     81 GLY  HN      3.20
         HN     81 GLY  QA      7.28
         HN     82 HEMC HN      5.80
         HN     82 HEMC HAM     6.30
         HN     83 HISH HN      6.40
         HN    105 HEMC QT4     4.30
         HN    105 HEMC HBM     6.50
         HA     80 VAL  QG1     3.30
         HA     80 VAL  QG2     3.20
         HA     82 HEMC HN      7.00
         HA     83 HISH HN      3.50
         HA     83 HISH HB2     2.50
         HA     83 HISH HD1     5.30
         HA     84 VAL  HN      4.50
         HA     84 VAL  QG2     6.20
         HA     98 THR  HA      4.60
         HA     98 THR  HB      6.10
         HA     98 THR  QG2     5.20
         HA    105 HEMC QT4     4.40
         HB     81 GLY  HN      3.50
         HB     82 HEMC HN      6.30
         HB     83 HISH HN      6.10
         HB    105 HEMC HT4A    7.00
         HB    105 HEMC QT4     8.00
         QG1    81 GLY  HN      4.80
         QG1    81 GLY  HA1     5.80
         QG1    81 GLY  HA2     5.80
         QG1    81 GLY  QA      5.53
         QG1    82 HEMC HN      8.00
         QG1    83 HISH HN      6.70
         QG1    83 HISH HB2     5.20
         QG1    83 HISH HD1     7.00
         QG1    84 VAL  HN      5.80
         QG1    84 VAL  HA      6.60
         QG1    84 VAL  HB      5.70
         QG1    84 VAL  QG1     6.40
         QG1    84 VAL  QG2     4.50
         QG1    97 LEU  HB3     8.00
         QG1    98 THR  HA      4.40
         QG1    98 THR  HB      3.90
         QG1    98 THR  QG2     4.60
         QG1   105 HEMC QM3     5.60
         QG1   105 HEMC HT2A    8.00
         QG1   105 HEMC QT2     5.70
         QG1   105 HEMC HAM     6.60
         QG2    81 GLY  HN      4.60
         QG2    83 HISH HN      6.40
         QG2    83 HISH HB2     5.00
         QG2    84 VAL  QG2     8.20
         QG2    98 THR  HA      4.80
         QG2    98 THR  HB      5.70
         QG2    98 THR  QG2     5.70
         QG2   105 HEMC HT4A    6.30
         QG2   105 HEMC QT4     4.60
         QG2   105 HEMC QM3     4.50
         QG2   105 HEMC HBM     7.20
         QG2   105 HEMC QM1     9.00
         QG2   105 HEMC HT2A    5.50
         QG2   105 HEMC QT2     5.80
         QG2   105 HEMC HAM     4.90
         QG2   106 HISH HD2     7.30
 81 GLY  
         HN     81 GLY  HA1     2.90
         HN     81 GLY  HA2     2.90
         HN     81 GLY  QA      2.66
         HN     82 HEMC HN      3.30
         HN     83 HISH HN      4.80
         HN     84 VAL  QG2     6.30
         HA1    83 HISH HN      7.00
         HA2    83 HISH HN      7.00
         QA     83 HISH HN      6.32
         QA     84 VAL  HN      6.28
         QA     84 VAL  QG2     6.18
 82 HEMC 
         HN     82 HEMC HB2     2.90
         HN     82 HEMC HB3     2.70
         HN     82 HEMC HT4A    6.40
         HN     82 HEMC QT4     5.30
         HN     82 HEMC QM3     4.40
         HN     83 HISH HN      2.90
         HN     83 HISH HA      5.80
         HN     85 GLU- HN      5.60
         HA     82 HEMC HB2     2.70
         HA     82 HEMC HT4A    5.20
         HA     82 HEMC QT4     5.20
         HA     82 HEMC QM3     5.70
         HA     83 HISH HD2     6.30
         HA     84 VAL  HN      4.30
         HA     85 GLU- HN      4.00
         HA     85 GLU- HB2     3.80
         HA     85 GLU- HB3     4.10
         HB2    82 HEMC QM3     3.60
         HB2    82 HEMC HBM     5.60
         HB2    82 HEMC HAM     6.00
         HB2    83 HISH HN      4.10
         HB3    82 HEMC HT4A    4.40
         HB3    82 HEMC QM3     3.30
         HB3    82 HEMC HBM     4.80
         HB3    83 HISH HN      3.10
         HT4A   83 HISH HN      6.80
         HT4A   86 VAL  HN      7.00
         HT4A   86 VAL  QG2     4.20
         QT4    83 HISH HN      6.40
         QM3    83 HISH HN      5.70
         QM3    83 HISH HD2     6.00
         HBM    82 HEMC HA62    6.40
         HBM    82 HEMC HA63    7.00
         HBM    83 HISH HN      7.00
         HBM    83 HISH HA      5.30
         HBM    86 VAL  HN      7.00
         HBM    86 VAL  HA      6.60
         HBM    86 VAL  HB      6.80
         HBM    86 VAL  QG2     3.60
         HBM    97 LEU  QD1     8.00
         HBM    97 LEU  QD2     8.00
         QM5    82 HEMC HA62    3.50
         QM5    82 HEMC HA63    4.20
         QM5    86 VAL  HN      7.20
         QM5    86 VAL  QG1     4.00
         QM5    97 LEU  QD1     7.00
         HA62   82 HEMC HB62    2.90
         HA62   82 HEMC HB63    2.90
         HA62   97 LEU  QD1     5.00
         HA63   82 HEMC HB62    3.00
         HA63   82 HEMC HGM     2.70
         HA63   86 VAL  QG1     6.30
         HA63   97 LEU  QD1     5.70
         HA63   97 LEU  QD2     5.60
         HB62   82 HEMC HGM     3.50
         HB62   86 VAL  QG1     5.40
         HB62   97 LEU  QD1     4.30
         HB62   97 LEU  QD2     4.20
         HB63   82 HEMC HGM     3.80
         HB63   86 VAL  QG1     4.10
         HB63   97 LEU  QD1     4.10
         HB63   97 LEU  QD2     6.30
         HGM    82 HEMC HA73    2.50
         HGM    82 HEMC QB7     4.40
         HGM    83 HISH HE1     6.30
         HGM    86 VAL  QG1     6.70
         HGM    93 LYS  QD      8.00
         HGM    97 LEU  HG      6.80
         HGM    97 LEU  QD1     5.30
         HGM    97 LEU  QD2     3.90
         HGM   104 LYS  HB2     7.00
         HGM   104 LYS  HD2     6.80
         HA72   82 HEMC HDM     6.20
         HA72  104 LYS  HB3     3.40
         HA73   82 HEMC QM8     4.60
         HA73   82 HEMC HDM     7.00
         HA73   97 LEU  QD1     5.80
         HA73   97 LEU  QD2     3.70
         HA73  104 LYS  HB3     5.10
         HA73  104 LYS  HD2     4.90
         QB7    82 HEMC QM8     6.40
         QB7    82 HEMC HDM     8.00
         QB7    97 LEU  QD1     9.00
         QB7    97 LEU  QD2     6.30
         QM8    83 HISH HE1     6.70
         QM8    97 LEU  QD2     6.60
         QM8   104 LYS  HN      5.50
         QM8   104 LYS  HA      5.20
         QM8   104 LYS  HB2     3.70
         QM8   104 LYS  HB3     3.20
         QM8   104 LYS  HE2     6.20
         QM8   105 HEMC HN      6.10
         QM8   105 HEMC HA      4.60
         QM8   105 HEMC HT4A    7.60
         QM8   105 HEMC QT4     6.90
         HDM    83 HISH HD1     7.00
         HDM    83 HISH HE1     4.10
         HDM    97 LEU  QD2     8.00
         HDM   104 LYS  HB2     7.00
         HDM   104 LYS  HB3     6.20
         HDM   105 HEMC HN      7.00
         HDM   105 HEMC HA      5.30
         HDM   105 HEMC HT4A    4.90
         HDM   105 HEMC QT4     5.00
         HDM   105 HEMC QM3     8.00
         HDM   105 HEMC HBM     5.60
         HDM   105 HEMC QM5     6.10
         QM1   105 HEMC HT4A    4.10
         QM1   105 HEMC QT4     5.60
         QM1   105 HEMC HBM     4.20
         QM1   105 HEMC QM5     4.30
         HT2A  105 HEMC QT4     7.30
         QT2   105 HEMC QT4     7.80
         QT2   105 HEMC QM5     5.70
         HAM    83 HISH HN      7.00
         HAM    83 HISH HE1     7.00
         HAM   105 HEMC QT4     6.90
 83 HISH 
         HN     83 HISH HB2     2.60
         HN     83 HISH HD1     4.70
         HN     83 HISH HD2     3.00
         HN     84 VAL  HN      3.00
         HN     84 VAL  HA      5.90
         HN     84 VAL  HB      5.50
         HN     84 VAL  QG1     7.00
         HN     86 VAL  HN      5.00
         HN     86 VAL  HB      5.30
         HN     98 THR  HA      7.00
         HN     98 THR  QG2     6.00
         HN    105 HEMC QT4     8.00
         HA     83 HISH HD1     4.50
         HA     85 GLU- HN      4.80
         HA     86 VAL  HN      3.10
         HA     86 VAL  HB      2.30
         HA     88 GLY  HN      7.00
         HA     97 LEU  QD1     4.10
         HA     98 THR  QG2     5.40
         HB2    83 HISH HD1     3.40
         HB2    84 VAL  HN      3.90
         HB2    98 THR  HA      5.80
         HB2    98 THR  QG2     3.20
         HB3    84 VAL  HN      4.20
         HB3    97 LEU  QD2     5.00
         HB3    98 THR  HA      5.00
         HB3    98 THR  QG2     3.60
         HD1    84 VAL  HN      6.00
         HD1    87 ALA  QB      6.50
         HD1    97 LEU  HN      4.90
         HD1    97 LEU  HA      3.20
         HD1    97 LEU  HB2     3.80
         HD1    97 LEU  QD2     3.90
         HD1    98 THR  HN      7.00
         HD1    98 THR  HA      4.90
         HD1    98 THR  QG2     5.10
         HD1   105 HEMC HT4A    7.00
         HD1   105 HEMC QM3     5.20
         HE1    97 LEU  QD2     4.00
         HE1   105 HEMC HT4A    5.70
         HE1   105 HEMC QT4     3.40
 84 VAL  
         HN     84 VAL  HA      2.70
         HN     84 VAL  QG2     3.00
         HN     86 VAL  QG2     6.10
         HN     98 THR  QG2     4.00
         HA     84 VAL  HB      3.00
         HA     84 VAL  QG1     3.50
         HA     84 VAL  QG2     3.00
         HA     86 VAL  HN      5.70
         HA     87 ALA  QB      3.90
         HA     88 GLY  HN      5.50
         HA     97 LEU  HB3     7.00
         HA     98 THR  HA      6.20
         HA     98 THR  HB      5.90
         HA     98 THR  QG2     3.10
         HB     85 GLU- HN      3.20
         QG1    85 GLU- HN      4.60
         QG1    85 GLU- HA      5.00
         QG1    85 GLU- HB2     6.30
         QG1    86 VAL  HN      7.00
         QG1    88 GLY  HN      5.80
         QG1    98 THR  HA      8.00
         QG1    98 THR  HB      6.50
         QG2    85 GLU- HA      7.70
         QG2    98 THR  HA      5.70
         QG2    98 THR  HB      4.60
 85 GLU- 
         HN     85 GLU- HA      2.90
         HN     85 GLU- HB2     2.80
         HN     85 GLU- HB3     3.30
         HN     85 GLU- HG2     3.70
         HN     85 GLU- HG3     3.70
         HN     85 GLU- QG      3.39
         HN     86 VAL  HN      2.60
         HN     86 VAL  HA      6.90
         HN     87 ALA  QB      6.90
         HA     85 GLU- HG2     3.60
         HA     85 GLU- HG3     3.60
         HA     85 GLU- QG      3.29
         HA     86 VAL  HN      3.50
         HA     88 GLY  HN      3.90
         HB2    86 VAL  HN      3.20
         HB3    86 VAL  HN      3.40
         QG     86 VAL  HN      5.08
 86 VAL  
         HN     86 VAL  HA      2.90
         HN     86 VAL  HB      3.10
         HN     86 VAL  QG2     3.00
         HN     87 ALA  HN      2.90
         HN     88 GLY  HN      4.00
         HN     97 LEU  HB2     6.80
         HN     97 LEU  QD1     5.60
         HA     86 VAL  QG1     3.20
         HA     86 VAL  QG2     3.00
         HA     97 LEU  QD1     6.40
         HB     87 ALA  HN      2.80
         HB     87 ALA  QB      4.90
         HB     88 GLY  HN      4.70
         HB     97 LEU  QD1     3.50
         HB     98 THR  QG2     6.00
         QG1    87 ALA  HN      4.10
         QG1    87 ALA  HA      4.80
         QG1    93 LYS  QE      9.00
         QG1    97 LEU  QD1     4.20
 87 ALA  
         HN     87 ALA  QB      3.00
         HN     88 GLY  HN      3.10
         HN     98 THR  QG2     5.20
         HA     93 LYS  HB2     3.10
         HA     93 LYS  HB3     2.90
         HA     93 LYS  QG      6.50
         HA     94 LYS  HN      6.30
         HA     97 LEU  QD1     4.60
         QB     88 GLY  HN      4.10
         QB     89 ALA  HA      8.00
         QB     90 ASP- HB2     5.80
         QB     91 ALA  HA      6.30
         QB     93 LYS  HA      5.30
         QB     93 LYS  HB2     3.90
         QB     93 LYS  HB3     3.40
         QB     93 LYS  QD      5.60
         QB     93 LYS  QE      9.00
         QB     94 LYS  HN      4.10
         QB     94 LYS  HA      3.00
         QB     94 LYS  QE      9.00
         QB     97 LEU  QD1     4.30
         QB     97 LEU  QD2     6.60
         QB     98 THR  HN      7.50
         QB     98 THR  HA      7.80
         QB     98 THR  HB      7.90
         QB     98 THR  QG2     5.00
 88 GLY  
         HA2    90 ASP- HB2     5.40
 89 ALA  
         HA     90 ASP- HB2     5.50
         HA     94 LYS  QE      6.00
         QB     90 ASP- HA      5.10
 90 ASP- 
         HN     90 ASP- HB2     3.20
         HN     90 ASP- HB3     3.20
         HN     94 LYS  HN      5.10
         HA     90 ASP- HB2     2.60
         HA     90 ASP- HB3     3.00
         HA     91 ALA  HA      5.30
         HA     91 ALA  QB      5.60
         HB2    93 LYS  HN      5.10
         HB2    93 LYS  HB2     3.90
         HB2    94 LYS  HN      7.00
         HB3    93 LYS  HN      4.70
 91 ALA  
         HA     93 LYS  HN      5.60
         HA     94 LYS  HN      4.10
         HA     94 LYS  QB      4.40
         HA     94 LYS  QE      6.20
         HA     95 LYS  HN      4.80
 92 ALA  
         HA     95 LYS  HB2     3.80
         HA     96 ASP- HN      5.30
         QB     93 LYS  HN      3.70
         QB     94 LYS  HN      5.80
 93 LYS  
         HN     93 LYS  HB2     3.10
         HN     93 LYS  HB3     3.70
         HN     93 LYS  QD      7.10
         HN     93 LYS  QE      8.00
         HN     94 LYS  HN      3.10
         HN     94 LYS  HA      7.00
         HA     93 LYS  HB3     2.50
         HA     95 LYS  HN      5.70
         HA     96 ASP- HN      3.60
         HA     96 ASP- HB2     2.90
         HA     96 ASP- HB3     4.00
         HB2    93 LYS  QE      7.00
         HB2    94 LYS  HN      3.50
         HB2    94 LYS  HA      5.40
         HB2    97 LEU  HB2     4.50
         HB2    97 LEU  QD1     6.00
         HB3    94 LYS  HN      3.60
         HB3    97 LEU  QD1     3.70
         HB3    97 LEU  QD2     6.70
         QD     97 LEU  QD2     7.70
         QE     97 LEU  QD1     6.60
 94 LYS  
         HN     94 LYS  QB      3.80
         HN     94 LYS  QG      6.10
         HN     94 LYS  QD      4.90
         HN     94 LYS  QE      8.00
         HN     96 ASP- HN      6.60
         HN     97 LEU  HN      5.30
         HN     97 LEU  QD1     8.00
         HA     97 LEU  HN      4.60
         HA     98 THR  HN      3.80
         HA     98 THR  HA      6.80
         HA     98 THR  QG2     4.10
         QG     98 THR  QG2     7.40
 95 LYS  
         HA     95 LYS  HB2     2.80
         HA     95 LYS  HG2     2.90
         HA     95 LYS  HG3     3.40
         HA     98 THR  HA      7.00
         HA     99 GLY  HN      3.60
         HA     99 GLY  HA1     4.00
         HA     99 GLY  HA2     4.90
         HA    103 SER  HA      6.00
         HB2    99 GLY  HN      5.70
         HG2   103 SER  HA      5.70
         HG3   103 SER  HA      6.30
         QD    103 SER  HA      7.40
 96 ASP- 
         HN     96 ASP- HB2     2.80
         HN     96 ASP- HB3     3.30
         HN     97 LEU  HN      3.20
         HN     97 LEU  HB2     5.50
         HN     97 LEU  HB3     6.00
         HN     97 LEU  HG      6.40
         HN     97 LEU  QD2     6.40
         HN     99 GLY  HN      5.30
         HN    103 SER  HA      6.60
         HN    104 LYS  HN      7.00
         HA     96 ASP- HB2     3.00
         HA     96 ASP- HB3     2.90
         HA     97 LEU  HA      5.20
         HA     97 LEU  HB3     7.00
         HA     97 LEU  QD2     7.30
         HA     98 THR  HN      5.30
         HA    103 SER  HA      2.80
         HA    104 LYS  HN      3.20
         HA    104 LYS  HG2     3.60
         HA    105 HEMC HN      5.10
         HB3    97 LEU  HG      4.20
         HB3    97 LEU  QD1     6.70
         HB3    97 LEU  QD2     4.90
         HB3   103 SER  HA      5.50
         HB3   104 LYS  HN      5.50
         HB3   104 LYS  HG2     4.20
         HB3   104 LYS  HE2     4.20
 97 LEU  
         HN     97 LEU  HA      2.90
         HN     97 LEU  HB2     3.10
         HN     97 LEU  QD2     4.50
         HN     98 THR  HN      2.90
         HN     99 GLY  HN      4.00
         HA     97 LEU  HG      3.40
         HA     97 LEU  QD2     3.00
         HA     98 THR  HA      5.60
         HA     98 THR  QG2     6.00
         HA     99 GLY  HN      5.00
         HA    105 HEMC QT4     7.90
         HB2    98 THR  HN      3.70
         HB2    98 THR  QG2     4.70
         HB3    98 THR  HN      4.00
         HB3    98 THR  HA      5.40
         HB3    99 GLY  HN      7.00
         HB3   105 HEMC QT4     7.30
         QD2    98 THR  HN      6.50
         QD2    98 THR  HA      7.80
         QD2    98 THR  QG2     7.70
         QD2   103 SER  HA      8.00
         QD2   104 LYS  HA      8.00
         QD2   104 LYS  HB2     5.30
         QD2   104 LYS  HB3     5.40
         QD2   104 LYS  HG2     6.30
         QD2   104 LYS  HD2     6.30
         QD2   104 LYS  HE3     6.70
         QD2   105 HEMC HN      8.00
         QD2   105 HEMC QT4     8.40
 98 THR  
         HN     98 THR  QG2     4.20
         HN     99 GLY  HN      2.70
         HN    105 HEMC QM3     5.60
         HA     98 THR  HB      2.40
         HA     98 THR  QG2     3.20
         HA     99 GLY  HA2     7.00
         HA    103 SER  HG      7.00
         HA    105 HEMC HB2     6.60
         HA    105 HEMC QT4     4.90
         HA    105 HEMC QM3     3.00
         HA    105 HEMC HT2A    7.00
         HA    105 HEMC QT2     8.00
         HA    105 HEMC HAM     5.10
         HB    105 HEMC QT4     8.00
         HB    105 HEMC QM3     4.30
         QG2    99 GLY  HN      6.20
         QG2   105 HEMC QM3     6.00
         QG2   105 HEMC HAM     8.00
 99 GLY  
         HN    100 CYSH HN      5.60
         HN    103 SER  HA      5.80
         HN    103 SER  HB3     4.10
         HN    103 SER  HG      5.30
         HN    104 LYS  HN      6.80
         HN    105 HEMC QM3     5.20
         HA1   105 HEMC HT2A    7.00
         HA1   105 HEMC HAM     5.70
         HA2   103 SER  HA      7.00
         HA2   103 SER  HG      5.10
         HA2   105 HEMC HT2A    7.00
         HA2   105 HEMC HAM     7.00
100 CYSH 
         HN    101 LYS  HA      7.00
         HN    105 HEMC HT2A    4.70
         HN    105 HEMC QT2     6.20
         HA    105 HEMC QM1     5.90
         HA    105 HEMC HT2A    3.10
         HA    105 HEMC QT2     5.70
         HA    105 HEMC HAM     3.60
         HA    106 HISH QB      6.50
         HA    106 HISH HD2     3.60
         HB2   105 HEMC HT2A    4.70
         HB2   105 HEMC HAM     5.60
         HB3   105 HEMC HT2A    4.70
         HB3   105 HEMC HAM     5.60
         QB    105 HEMC HDM     7.68
101 LYS  
         HA    101 LYS  HB2     2.80
         HA    101 LYS  HG2     2.70
         HA    101 LYS  HG3     3.60
         HA    102 LYS  HN      3.00
         HA    103 SER  HN      4.00
         HA    106 HISH HN      6.70
         HA    106 HISH HD1     7.00
         HA    106 HISH HD2     5.90
         HB2   102 LYS  HN      4.20
         HG2   102 LYS  HN      4.20
         HG2   102 LYS  HA      4.00
         HG3   102 LYS  HN      5.00
102 LYS  
         HN    102 LYS  HA      2.90
         HN    102 LYS  QG      4.90
         HN    107 GLU- HA      3.40
         HA    102 LYS  QG      4.00
         HA    102 LYS  QD      4.90
         HA    103 SER  HN      3.20
         HA    103 SER  HA      7.00
         HA    107 GLU- HN      7.00
         HA    107 GLU- HA      3.60
         HA    107 GLU- QG      6.70
         QB    103 SER  HA      7.90
         QB    107 GLU- HA      6.50
         QG    103 SER  HA      8.00
         QG    107 GLU- HA      6.60
103 SER  
         HN    103 SER  HB3     4.00
         HN    103 SER  HG      3.80
         HN    104 LYS  HN      5.00
         HN    105 HEMC HN      5.00
         HN    106 HISH HN      4.00
         HN    106 HISH QB      5.70
         HN    107 GLU- HA      3.60
         HA    103 SER  HB2     2.70
         HA    103 SER  HB3     2.70
         HA    103 SER  HG      3.80
         HA    104 LYS  HN      2.90
         HA    104 LYS  HB2     5.40
         HA    104 LYS  HB3     7.00
         HA    104 LYS  HG2     4.30
         HA    105 HEMC HN      4.40
         HA    106 HISH HN      5.90
         HA    107 GLU- HA      6.40
         HB2   103 SER  HG      2.60
         HB2   104 LYS  HN      3.00
         HB2   105 HEMC HN      3.70
         HB2   106 HISH HN      4.70
         HB3   104 LYS  HN      3.40
         HB3   105 HEMC HN      4.50
         HB3   106 HISH HN      5.60
         HG    104 LYS  HN      4.30
         HG    105 HEMC HN      3.80
         HG    106 HISH HN      3.40
104 LYS  
         HN    104 LYS  HB2     3.00
         HN    104 LYS  HB3     3.60
         HN    104 LYS  HG2     3.10
         HN    104 LYS  HG3     4.10
         HN    104 LYS  HD2     5.30
         HN    104 LYS  HD3     5.50
         HN    104 LYS  HE2     7.00
         HN    105 HEMC HN      3.00
         HN    105 HEMC HA      7.00
         HN    105 HEMC QM3     5.80
         HN    106 HISH HN      5.00
         HA    104 LYS  HB3     2.80
         HA    104 LYS  HG3     4.00
         HA    104 LYS  HD2     3.70
         HA    104 LYS  HD3     3.20
         HA    104 LYS  HE2     5.30
         HA    105 HEMC HN      3.60
         HA    106 HISH HN      5.50
         HB2   105 HEMC HN      3.90
         HB3   105 HEMC HN      4.30
         HG2   105 HEMC HN      6.60
         HG2   106 HISH HN      7.00
105 HEMC 
         HN    105 HEMC HB2     3.20
         HN    105 HEMC QT4     8.00
         HN    105 HEMC QM3     4.80
         HN    106 HISH HN      2.60
         HN    106 HISH HD2     6.70
         HA    105 HEMC HB3     2.90
         HA    105 HEMC HT4A    5.10
         HA    105 HEMC HBM     7.00
         HB2   105 HEMC HBM     5.20
         HB2   105 HEMC HAM     7.00
         HB2   106 HISH HN      3.20
         HB3   105 HEMC HT4A    4.00
         HB3   105 HEMC HBM     4.40
         HB3   105 HEMC HAM     6.70
         HT4A  106 HISH HE1     7.00
         QM3   106 HISH HN      5.90
         QM3   106 HISH HD2     6.20
         HBM   106 HISH HE1     7.00
         QM5   105 HEMC HA62    3.40
         HA62  105 HEMC HGM     3.60
         HA63  105 HEMC HGM     3.20
         HA63  106 HISH HE1     6.00
         HB63  105 HEMC HGM     4.80
         HGM   105 HEMC HA72    3.30
         HGM   105 HEMC HA73    3.10
         HGM   105 HEMC HB72    4.30
         HGM   105 HEMC HB73    4.70
         HGM   106 HISH HE1     4.30
         HA72  105 HEMC QM8     4.20
         HA72  105 HEMC HDM     5.70
         HB73  105 HEMC HDM     6.20
         HDM   106 HISH HD2     7.00
         QM1   106 HISH HD2     6.60
         HT2A  106 HISH HD2     4.90
         HAM   106 HISH QB      8.00
         HAM   106 HISH HD2     4.40
106 HISH 
         HN    106 HISH HD1     5.60
         HN    106 HISH HD2     5.10
         HN    107 GLU- HN      4.80
         HN    107 GLU- QG      7.50
         HA    106 HISH HD1     2.60
         HA    106 HISH HD2     4.90
         HA    106 HISH HE1     5.00
         HA    107 GLU- HN      2.30
         HA    107 GLU- QG      4.80
         QB    107 GLU- HN      6.30
         HD1   107 GLU- HN      4.10
107 GLU- 
         HN    107 GLU- QB      3.30
         HN    107 GLU- QG      5.90


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1H        ALA   1  -2.059   4.804  23.885
    2   2H    ALA   1          2H        ALA   1  -3.289   5.632  23.147
    3    HA   ALA   1           HA       ALA   1  -0.970   5.220  22.063
    4   1HB   ALA   1          3HB       ALA   1  -1.847   2.681  22.208
    5   2HB   ALA   1          1HB       ALA   1  -2.584   3.132  20.652
    6   3HB   ALA   1          2HB       ALA   1  -0.822   3.260  20.873
    7    HA   PRO   2           HA       PRO   2  -2.991   7.589  19.058
    8   1HB   PRO   2          1HB       PRO   2  -1.538   7.220  16.773
    9   2HB   PRO   2          2HB       PRO   2  -1.021   8.269  18.079
   10   1HG   PRO   2          1HG       PRO   2  -0.017   5.586  17.349
   11   2HG   PRO   2          2HG       PRO   2   0.743   6.808  18.348
   12   1HD   PRO   2          1HD       PRO   2  -0.582   4.431  19.254
   13   2HD   PRO   2          2HD       PRO   2   0.076   5.710  20.255
   14    H    LYS   3           H        LYS   3  -2.966   4.257  18.697
   15    HA   LYS   3           HA       LYS   3  -4.171   2.847  17.476
   16   1HB   LYS   3          1HB       LYS   3  -5.859   4.593  18.872
   17   2HB   LYS   3          2HB       LYS   3  -6.581   4.469  17.281
   18   1HG   LYS   3          1HG       LYS   3  -6.423   1.950  17.447
   19   2HG   LYS   3          2HG       LYS   3  -5.798   2.122  19.075
   20   1HD   LYS   3          1HD       LYS   3  -8.271   3.678  18.686
   21   2HD   LYS   3          2HD       LYS   3  -8.512   1.978  18.335
   22   1HE   LYS   3          1HE       LYS   3  -7.767   1.309  20.533
   23   2HE   LYS   3          2HE       LYS   3  -7.095   2.891  20.872
   24   1HZ   LYS   3          1HZ       LYS   3  -9.084   3.316  21.813
   25   2HZ   LYS   3          2HZ       LYS   3  -9.725   3.403  20.318
   26    H    ALA   4           H        ALA   4  -6.079   2.976  15.496
   27    HA   ALA   4           HA       ALA   4  -4.476   3.849  13.296
   28   1HB   ALA   4          3HB       ALA   4  -6.881   2.199  13.793
   29   2HB   ALA   4          1HB       ALA   4  -6.909   3.095  12.255
   30   3HB   ALA   4          2HB       ALA   4  -5.568   1.981  12.612
   31    HA   PRO   5           HA       PRO   5  -6.317   7.726  12.751
   32   1HB   PRO   5          1HB       PRO   5  -5.781   8.195  10.113
   33   2HB   PRO   5          2HB       PRO   5  -4.601   8.429  11.387
   34   1HG   PRO   5          1HG       PRO   5  -4.777   6.244   9.403
   35   2HG   PRO   5          2HG       PRO   5  -3.409   6.727  10.385
   36   1HD   PRO   5          1HD       PRO   5  -5.118   4.465  10.818
   37   2HD   PRO   5          2HD       PRO   5  -3.822   5.015  11.862
   38    H    ALA   6           H        ALA   6  -7.873   9.066  11.342
   39    HA   ALA   6           HA       ALA   6 -10.277   7.654  11.335
   40   1HB   ALA   6          1HB       ALA   6  -9.405  10.303  11.089
   41   2HB   ALA   6          2HB       ALA   6 -10.215   9.965   9.541
   42   3HB   ALA   6          3HB       ALA   6 -11.093   9.738  11.073
   43    H    ASP   7           H        ASP   7 -11.696   7.850   9.112
   44    HA   ASP   7           HA       ASP   7 -10.250   6.109   7.329
   45   1HB   ASP   7          1HB       ASP   7 -12.467   5.640   6.355
   46   2HB   ASP   7          2HB       ASP   7 -12.514   5.454   8.097
   47    H    GLY   8           H        GLY   8 -10.864   6.482   4.845
   48   1HA   GLY   8          1HA       GLY   8 -11.121   7.852   3.041
   49   2HA   GLY   8          2HA       GLY   8 -11.423   9.216   4.099
   50    H    LEU   9           H        LEU   9  -8.601   7.200   4.759
   51    HA   LEU   9           HA       LEU   9  -6.889   9.443   4.333
   52   1HB   LEU   9          1HB       LEU   9  -6.379   8.129   6.184
   53   2HB   LEU   9          2HB       LEU   9  -6.552   6.625   5.301
   54    HG   LEU   9           HG       LEU   9  -4.183   7.667   5.982
   55   1HD1  LEU   9          1HD1      LEU   9  -4.855   5.465   4.795
   56   2HD1  LEU   9          2HD1      LEU   9  -4.387   6.315   3.303
   57   3HD1  LEU   9          3HD1      LEU   9  -3.196   6.081   4.605
   58   1HD2  LEU   9          2HD2      LEU   9  -4.890   9.628   4.315
   59   2HD2  LEU   9          3HD2      LEU   9  -3.202   9.099   4.518
   60   3HD2  LEU   9          1HD2      LEU   9  -4.155   8.521   3.131
   61    H    LYS  10           H        LYS  10  -6.591  10.080   2.239
   62    HA   LYS  10           HA       LYS  10  -5.874   7.952   0.346
   63   1HB   LYS  10          1HB       LYS  10  -7.217   8.877  -1.181
   64   2HB   LYS  10          2HB       LYS  10  -7.939   9.758   0.149
   65   1HG   LYS  10          1HG       LYS  10  -5.977  11.485  -0.252
   66   2HG   LYS  10          2HG       LYS  10  -5.830  10.706  -1.815
   67   1HD   LYS  10          1HD       LYS  10  -8.507  11.070  -1.836
   68   2HD   LYS  10          2HD       LYS  10  -8.099  12.359  -0.720
   69   1HE   LYS  10          1HE       LYS  10  -6.839  12.002  -3.483
   70   2HE   LYS  10          2HE       LYS  10  -8.149  13.110  -3.126
   71   1HZ   LYS  10          1HZ       LYS  10  -6.299  13.751  -1.246
   72   2HZ   LYS  10          2HZ       LYS  10  -5.348  13.390  -2.518
   73    H    MET  11           H        MET  11  -4.139   8.433  -1.188
   74    HA   MET  11           HA       MET  11  -2.401  10.561  -0.215
   75   1HB   MET  11          1HB       MET  11  -0.469   8.956  -0.715
   76   2HB   MET  11          2HB       MET  11  -1.479   8.456   0.627
   77   1HG   MET  11          1HG       MET  11  -2.625   7.389  -1.809
   78   2HG   MET  11          2HG       MET  11  -0.914   7.014  -1.801
   79   1HE   MET  11          3HE       MET  11   0.323   5.761  -0.105
   80   2HE   MET  11          1HE       MET  11  -0.435   4.368   0.703
   81   3HE   MET  11          2HE       MET  11  -0.529   4.528  -1.067
   82    H    GLU  12           H        GLU  12  -2.134  12.032  -1.834
   83    HA   GLU  12           HA       GLU  12  -2.222  10.983  -4.550
   84   1HB   GLU  12          1HB       GLU  12  -3.949  12.715  -3.825
   85   2HB   GLU  12          2HB       GLU  12  -2.639  13.868  -3.660
   86   1HG   GLU  12          1HG       GLU  12  -2.905  12.335  -6.255
   87   2HG   GLU  12          2HG       GLU  12  -4.005  13.665  -5.947
   88    H    ALA  13           H        ALA  13   0.123  10.320  -3.972
   89    HA   ALA  13           HA       ALA  13   1.942  12.601  -4.078
   90   1HB   ALA  13          1HB       ALA  13   2.312   9.642  -3.477
   91   2HB   ALA  13          2HB       ALA  13   3.652  10.810  -3.578
   92   3HB   ALA  13          3HB       ALA  13   2.398  11.000  -2.329
   93    H    THR  14           H        THR  14   0.293  10.436  -6.130
   94    HA   THR  14           HA       THR  14   2.256  10.970  -8.250
   95    HB   THR  14           HB       THR  14   2.152   8.684  -8.978
   96    HG1  THR  14           HG1      THR  14  -0.043   8.603  -7.028
   97   1HG2  THR  14          1HG2      THR  14   3.411   8.895  -6.775
   98   2HG2  THR  14          2HG2      THR  14   1.897   8.488  -5.932
   99   3HG2  THR  14          3HG2      THR  14   2.663   7.298  -7.013
  100    H    LYS  15           H        LYS  15   1.115  10.321 -10.477
  101    HA   LYS  15           HA       LYS  15  -0.992  12.163 -10.720
  102   1HB   LYS  15          1HB       LYS  15   0.721  11.540 -12.467
  103   2HB   LYS  15          2HB       LYS  15  -0.147  10.038 -12.708
  104   1HG   LYS  15          1HG       LYS  15  -1.927  11.066 -13.764
  105   2HG   LYS  15          2HG       LYS  15  -1.846  12.494 -12.752
  106   1HD   LYS  15          1HD       LYS  15   0.490  12.830 -14.082
  107   2HD   LYS  15          2HD       LYS  15  -0.347  11.871 -15.286
  108   1HE   LYS  15          1HE       LYS  15  -1.944  13.517 -15.703
  109   2HE   LYS  15          2HE       LYS  15  -1.901  14.133 -14.063
  110   1HZ   LYS  15          1HZ       LYS  15  -0.160  15.506 -14.561
  111   2HZ   LYS  15          2HZ       LYS  15   0.550  14.474 -15.602
  112    H    GLN  16           H        GLN  16  -0.907   8.974  -9.505
  113    HA   GLN  16           HA       GLN  16  -3.776   8.772  -9.993
  114   1HB   GLN  16          1HB       GLN  16  -1.882   6.405  -9.690
  115   2HB   GLN  16          2HB       GLN  16  -3.581   6.346 -10.116
  116   1HG   GLN  16          1HG       GLN  16  -1.942   8.087 -11.891
  117   2HG   GLN  16          2HG       GLN  16  -1.494   6.393 -11.938
  118   1HE2  GLN  16          2HE2      GLN  16  -4.794   5.267 -12.988
  119   2HE2  GLN  16          1HE2      GLN  16  -3.582   4.920 -11.800
  120    HA   PRO  17           HA       PRO  17  -3.395   8.945  -5.572
  121   1HB   PRO  17          1HB       PRO  17  -5.873   9.989  -5.089
  122   2HB   PRO  17          2HB       PRO  17  -4.457  10.979  -5.380
  123   1HG   PRO  17          1HG       PRO  17  -6.716  10.397  -7.195
  124   2HG   PRO  17          2HG       PRO  17  -5.534  11.687  -7.292
  125   1HD   PRO  17          1HD       PRO  17  -5.593   9.291  -8.868
  126   2HD   PRO  17          2HD       PRO  17  -4.348  10.524  -8.883
  127    H    VAL  18           H        VAL  18  -4.462   7.952  -3.688
  128    HA   VAL  18           HA       VAL  18  -6.371   5.913  -4.504
  129    HB   VAL  18           HB       VAL  18  -3.700   5.359  -3.201
  130   1HG1  VAL  18          1HG1      VAL  18  -6.141   3.590  -3.517
  131   2HG1  VAL  18          2HG1      VAL  18  -4.505   2.956  -3.214
  132   3HG1  VAL  18          3HG1      VAL  18  -5.282   4.023  -2.019
  133   1HG2  VAL  18          1HG2      VAL  18  -4.836   4.958  -5.917
  134   2HG2  VAL  18          2HG2      VAL  18  -3.152   5.213  -5.399
  135   3HG2  VAL  18          3HG2      VAL  18  -3.895   3.603  -5.247
  136    H    VAL  19           H        VAL  19  -7.566   5.022  -2.666
  137    HA   VAL  19           HA       VAL  19  -7.328   6.739  -0.292
  138    HB   VAL  19           HB       VAL  19  -9.759   5.752  -1.778
  139   1HG1  VAL  19          3HG1      VAL  19  -9.535   6.786   1.056
  140   2HG1  VAL  19          1HG1      VAL  19 -11.041   6.907   0.115
  141   3HG1  VAL  19          2HG1      VAL  19 -10.338   5.310   0.468
  142   1HG2  VAL  19          1HG2      VAL  19  -8.519   7.942  -2.369
  143   2HG2  VAL  19          2HG2      VAL  19 -10.282   8.008  -2.132
  144   3HG2  VAL  19          3HG2      VAL  19  -9.189   8.564  -0.842
  145    H    PHE  20           H        PHE  20  -6.597   5.578   1.407
  146    HA   PHE  20           HA       PHE  20  -7.135   2.701   1.404
  147   1HB   PHE  20          1HB       PHE  20  -4.786   3.760   1.609
  148   2HB   PHE  20          2HB       PHE  20  -5.315   4.531   3.091
  149    HD1  PHE  20           HD1      PHE  20  -5.017   1.127   1.547
  150    HD2  PHE  20           HD2      PHE  20  -4.937   3.462   5.131
  151    HE1  PHE  20           HE1      PHE  20  -4.303  -0.921   2.875
  152    HE2  PHE  20           HE2      PHE  20  -4.224   1.407   6.446
  153    HZ   PHE  20           HZ       PHE  20  -3.945  -0.678   5.379
  154    H    ASN  21           H        ASN  21  -7.525   1.699   3.625
  155    HA   ASN  21           HA       ASN  21  -8.903   3.519   5.396
  156   1HB   ASN  21          1HB       ASN  21 -10.138   1.020   4.133
  157   2HB   ASN  21          2HB       ASN  21 -10.803   1.774   5.568
  158   1HD2  ASN  21          2HD2      ASN  21 -11.102   3.529   1.842
  159   2HD2  ASN  21          1HD2      ASN  21  -9.985   2.249   2.179
  160    H    HIS  22           H        HIS  22  -8.716   2.816   7.597
  161    HA   HIS  22           HA       HIS  22  -7.000   0.502   7.956
  162   1HB   HIS  22          1HB       HIS  22  -7.680   2.925   9.593
  163   2HB   HIS  22          2HB       HIS  22  -7.060   1.496  10.394
  164    HD1  HIS  22           HD1      HIS  22  -6.053   4.257   8.046
  165    HD2  HIS  22           HD2      HIS  22  -4.338   0.891   9.870
  166    HE1  HIS  22           HE1      HIS  22  -3.533   4.464   7.703
  167    H    SER  23           H        SER  23 -10.321   1.505   8.205
  168    HA   SER  23           HA       SER  23 -10.998  -0.325  10.259
  169   1HB   SER  23          1HB       SER  23 -12.450   1.530  10.093
  170   2HB   SER  23          2HB       SER  23 -12.533   1.442   8.345
  171    HG   SER  23           HG       SER  23 -14.255   0.394  10.115
  172    H    THR  24           H        THR  24  -9.953  -0.777   7.120
  173    HA   THR  24           HA       THR  24 -11.729  -3.075   6.661
  174    HB   THR  24           HB       THR  24  -9.954  -1.390   4.821
  175    HG1  THR  24           HG1      THR  24 -12.811  -1.970   5.178
  176   1HG2  THR  24          1HG2      THR  24 -10.766  -4.109   4.463
  177   2HG2  THR  24          2HG2      THR  24 -11.897  -3.123   3.506
  178   3HG2  THR  24          3HG2      THR  24 -10.145  -3.003   3.215
  179    H    HIS  25           H        HIS  25  -8.354  -2.034   7.149
  180    HA   HIS  25           HA       HIS  25  -7.539  -4.819   6.877
  181   1HB   HIS  25          1HB       HIS  25  -5.869  -2.300   7.119
  182   2HB   HIS  25          2HB       HIS  25  -5.246  -3.920   6.876
  183    HD1  HIS  25           HD1      HIS  25  -7.368  -1.301   5.089
  184    HD2  HIS  25           HD2      HIS  25  -5.146  -4.757   4.242
  185    HE1  HIS  25           HE1      HIS  25  -7.268  -1.481   2.546
  186    H    LYS  26           H        LYS  26  -9.228  -4.031   9.099
  187    HA   LYS  26           HA       LYS  26  -7.645  -3.511  11.378
  188   1HB   LYS  26          1HB       LYS  26 -10.408  -4.748  11.219
  189   2HB   LYS  26          2HB       LYS  26  -9.677  -3.995  12.622
  190   1HG   LYS  26          1HG       LYS  26  -9.542  -1.823  11.398
  191   2HG   LYS  26          2HG       LYS  26 -10.247  -2.571   9.979
  192   1HD   LYS  26          1HD       LYS  26 -12.229  -1.829  10.858
  193   2HD   LYS  26          2HD       LYS  26 -12.124  -3.271  11.848
  194   1HE   LYS  26          1HE       LYS  26 -10.542  -1.444  13.260
  195   2HE   LYS  26          2HE       LYS  26 -11.826  -0.431  12.629
  196   1HZ   LYS  26          1HZ       LYS  26 -13.450  -1.753  13.708
  197   2HZ   LYS  26          2HZ       LYS  26 -12.427  -2.987  13.998
  198    H    SER  27           H        SER  27  -8.689  -6.458   9.647
  199    HA   SER  27           HA       SER  27  -7.826  -8.163  11.735
  200   1HB   SER  27          1HB       SER  27  -8.379  -9.969  10.227
  201   2HB   SER  27          2HB       SER  27  -9.609  -8.734  10.041
  202    HG   SER  27           HG       SER  27  -9.135  -8.856   7.956
  203    H    VAL  28           H        VAL  28  -6.230  -6.269   9.380
  204    HA   VAL  28           HA       VAL  28  -4.037  -8.129   9.008
  205    HB   VAL  28           HB       VAL  28  -4.374  -5.280   8.056
  206   1HG1  VAL  28          3HG1      VAL  28  -2.449  -7.508   7.384
  207   2HG1  VAL  28          1HG1      VAL  28  -2.786  -6.193   6.234
  208   3HG1  VAL  28          2HG1      VAL  28  -2.103  -5.821   7.835
  209   1HG2  VAL  28          2HG2      VAL  28  -5.827  -7.620   7.284
  210   2HG2  VAL  28          3HG2      VAL  28  -5.903  -5.981   6.594
  211   3HG2  VAL  28          1HG2      VAL  28  -4.743  -7.167   5.946
  212    H    LYS  29           H        LYS  29  -1.941  -7.847   9.853
  213    HA   LYS  29           HA       LYS  29  -1.884  -6.486  12.357
  214   1HB   LYS  29          1HB       LYS  29  -0.380  -8.532  10.988
  215   2HB   LYS  29          2HB       LYS  29   0.720  -7.319  11.612
  216   1HG   LYS  29          1HG       LYS  29  -1.419  -7.988  13.536
  217   2HG   LYS  29          2HG       LYS  29  -0.464  -9.388  13.090
  218   1HD   LYS  29          1HD       LYS  29   0.947  -8.630  14.735
  219   2HD   LYS  29          2HD       LYS  29   1.553  -7.587  13.464
  220   1HE   LYS  29          1HE       LYS  29  -0.270  -5.888  14.205
  221   2HE   LYS  29          2HE       LYS  29  -0.476  -6.890  15.627
  222   1HZ   LYS  29          1HZ       LYS  29   2.221  -6.561  15.497
  223   2HZ   LYS  29          2HZ       LYS  29   1.689  -5.108  14.992
  224    H    CYS  30           H        CYS  30  -0.885  -4.562  12.918
  225    HA   CYS  30           HA       CYS  30  -0.664  -2.632  10.944
  226   1HB   CYS  30          1HB       CYS  30   0.753  -2.434  13.589
  227   2HB   CYS  30          2HB       CYS  30   0.027  -1.159  12.631
  228    H    GLY  31           H        GLY  31   1.648  -4.943  12.381
  229   1HA   GLY  31          1HA       GLY  31   3.999  -3.691  11.326
  230   2HA   GLY  31          2HA       GLY  31   3.862  -5.282  12.048
  231    H    ASP  32           H        ASP  32   1.401  -5.279   9.827
  232    HA   ASP  32           HA       ASP  32   2.933  -6.862   8.042
  233   1HB   ASP  32          1HB       ASP  32   0.532  -7.318   8.707
  234   2HB   ASP  32          2HB       ASP  32   0.047  -5.885   7.822
  235    H    CYS  33           H        CYS  33   1.500  -3.586   8.192
  236    HA   CYS  33           HA       CYS  33   2.346  -3.108   5.436
  237   1HB   CYS  33          1HB       CYS  33   0.194  -1.967   7.161
  238   2HB   CYS  33          2HB       CYS  33   0.973  -0.873   6.034
  239    H    HIS  34           H        HIS  34   2.279  -1.597   8.751
  240    HA   HIS  34           HA       HIS  34   4.336   0.239   8.036
  241   1HB   HIS  34          1HB       HIS  34   3.101  -0.443  10.719
  242   2HB   HIS  34          2HB       HIS  34   4.205   0.887  10.428
  243    HD1  HIS  34           HD1      HIS  34   3.305   2.881   8.890
  244    HD2  HIS  34           HD2      HIS  34   0.443   0.031  10.023
  245    HE1  HIS  34           HE1      HIS  34   1.027   3.932   8.426
  246    H    HIS  35           H        HIS  35   5.518  -1.967   7.254
  247    HA   HIS  35           HA       HIS  35   6.668  -3.716   8.923
  248   1HB   HIS  35          1HB       HIS  35   8.465  -3.927   7.314
  249   2HB   HIS  35          2HB       HIS  35   6.931  -3.717   6.492
  250    HD1  HIS  35           HD1      HIS  35   9.961  -1.606   7.516
  251    HD2  HIS  35           HD2      HIS  35   6.924  -1.709   4.623
  252    HE1  HIS  35           HE1      HIS  35  10.486   0.264   5.861
  253    HA   PRO  36           HA       PRO  36   9.285  -1.519  11.575
  254   1HB   PRO  36          1HB       PRO  36  11.011  -3.484  12.365
  255   2HB   PRO  36          2HB       PRO  36   9.406  -3.290  13.041
  256   1HG   PRO  36          1HG       PRO  36  10.372  -5.311  11.111
  257   2HG   PRO  36          2HG       PRO  36   8.932  -5.346  12.108
  258   1HD   PRO  36          1HD       PRO  36   9.062  -4.773   9.301
  259   2HD   PRO  36          2HD       PRO  36   7.640  -4.695  10.322
  260    H    VAL  37           H        VAL  37  10.926  -0.084  11.492
  261    HA   VAL  37           HA       VAL  37  13.001  -0.799   9.539
  262    HB   VAL  37           HB       VAL  37  11.586   1.839   9.949
  263   1HG1  VAL  37          3HG1      VAL  37  13.993   2.225   9.672
  264   2HG1  VAL  37          1HG1      VAL  37  13.992   1.225   8.199
  265   3HG1  VAL  37          2HG1      VAL  37  13.089   2.759   8.234
  266   1HG2  VAL  37          1HG2      VAL  37  10.431   0.130   8.542
  267   2HG2  VAL  37          2HG2      VAL  37  10.882   1.603   7.650
  268   3HG2  VAL  37          3HG2      VAL  37  11.845   0.119   7.462
  269    H    ASN  38           H        ASN  38  14.899  -1.074  10.582
  270    HA   ASN  38           HA       ASN  38  16.649  -0.471  11.777
  271   1HB   ASN  38          1HB       ASN  38  15.350   1.945  11.833
  272   2HB   ASN  38          2HB       ASN  38  15.244   1.528  13.532
  273   1HD2  ASN  38          2HD2      ASN  38  18.512   3.267  12.246
  274   2HD2  ASN  38          1HD2      ASN  38  16.896   3.380  11.633
  275    H    GLY  39           H        GLY  39  13.659  -1.638  12.692
  276   1HA   GLY  39          1HA       GLY  39  13.435  -3.359  14.272
  277   2HA   GLY  39          2HA       GLY  39  14.694  -2.637  15.254
  278    H    LYS  40           H        LYS  40  12.844  -0.063  14.142
  279    HA   LYS  40           HA       LYS  40  11.248  -0.112  16.602
  280   1HB   LYS  40          1HB       LYS  40  11.464   2.203  16.738
  281   2HB   LYS  40          2HB       LYS  40  13.050   1.677  16.212
  282   1HG   LYS  40          1HG       LYS  40  11.933   2.020  13.770
  283   2HG   LYS  40          2HG       LYS  40  10.919   3.135  14.664
  284   1HD   LYS  40          1HD       LYS  40  13.434   3.793  15.629
  285   2HD   LYS  40          2HD       LYS  40  13.807   3.338  13.979
  286   1HE   LYS  40          1HE       LYS  40  13.204   5.485  13.467
  287   2HE   LYS  40          2HE       LYS  40  11.561   4.884  13.573
  288   1HZ   LYS  40          1HZ       LYS  40  12.906   6.681  15.340
  289   2HZ   LYS  40          2HZ       LYS  40  11.311   6.373  15.226
  290    H    GLU  41           H        GLU  41   9.020   0.267  16.530
  291    HA   GLU  41           HA       GLU  41   7.948   0.248  13.816
  292   1HB   GLU  41          1HB       GLU  41   7.465  -1.485  16.074
  293   2HB   GLU  41          2HB       GLU  41   5.977  -0.633  15.713
  294   1HG   GLU  41          1HG       GLU  41   6.838  -1.303  13.168
  295   2HG   GLU  41          2HG       GLU  41   7.437  -2.664  14.096
  296    H    ASP  42           H        ASP  42   6.643   1.942  13.215
  297    HA   ASP  42           HA       ASP  42   5.299   3.401  15.301
  298   1HB   ASP  42          1HB       ASP  42   6.233   5.517  14.797
  299   2HB   ASP  42          2HB       ASP  42   7.622   4.450  14.811
  300    H    TYR  43           H        TYR  43   3.650   4.960  14.274
  301    HA   TYR  43           HA       TYR  43   2.716   3.819  11.751
  302   1HB   TYR  43          1HB       TYR  43   1.485   5.738  13.828
  303   2HB   TYR  43          2HB       TYR  43   0.599   4.989  12.515
  304    HD1  TYR  43           HD1      TYR  43   2.154   2.239  12.919
  305    HD2  TYR  43           HD2      TYR  43  -0.060   4.837  15.498
  306    HE1  TYR  43           HE1      TYR  43   1.589   0.272  14.427
  307    HE2  TYR  43           HE2      TYR  43  -0.618   2.861  16.997
  308    HH   TYR  43           HH       TYR  43   0.459   0.630  17.507
  309    H    ARG  44           H        ARG  44   3.969   4.883  10.173
  310    HA   ARG  44           HA       ARG  44   3.499   7.755  10.116
  311   1HB   ARG  44          1HB       ARG  44   6.006   6.324  10.123
  312   2HB   ARG  44          2HB       ARG  44   5.826   7.050   8.538
  313   1HG   ARG  44          1HG       ARG  44   5.587   9.267   9.464
  314   2HG   ARG  44          2HG       ARG  44   5.339   8.648  11.084
  315   1HD   ARG  44          1HD       ARG  44   7.767   7.572  10.694
  316   2HD   ARG  44          2HD       ARG  44   7.908   8.851   9.505
  317    HE   ARG  44           HE       ARG  44   7.818   9.174  12.417
  318   1HH1  ARG  44          2HH2      ARG  44   7.333  10.802   9.308
  319   2HH1  ARG  44          1HH2      ARG  44   7.571  12.389   9.961
  320    HH2  ARG  44           HH1      ARG  44   8.040  12.638  12.298
  321    H    LYS  45           H        LYS  45   4.070   8.530   7.635
  322    HA   LYS  45           HA       LYS  45   2.274   6.945   6.009
  323   1HB   LYS  45          1HB       LYS  45   3.556   9.653   5.537
  324   2HB   LYS  45          2HB       LYS  45   2.382   8.893   4.483
  325   1HG   LYS  45          1HG       LYS  45   0.824   9.989   5.744
  326   2HG   LYS  45          2HG       LYS  45   1.083   8.708   6.912
  327   1HD   LYS  45          1HD       LYS  45   2.091  10.119   8.390
  328   2HD   LYS  45          2HD       LYS  45   3.142  10.788   7.158
  329   1HE   LYS  45          1HE       LYS  45   0.856  11.981   6.364
  330   2HE   LYS  45          2HE       LYS  45   0.413  11.722   8.039
  331   1HZ   LYS  45          1HZ       LYS  45   3.055  12.878   7.506
  332   2HZ   LYS  45          2HZ       LYS  45   1.760  13.848   7.319
  333    H    CYS  46           H        CYS  46   2.851   5.717   4.253
  334    HA   CYS  46           HA       CYS  46   5.429   4.767   4.089
  335   1HB   CYS  46          1HB       CYS  46   3.589   4.751   1.716
  336   2HB   CYS  46          2HB       CYS  46   4.740   3.534   2.232
  337    H    GLY  47           H        GLY  47   3.696   7.345   2.235
  338   1HA   GLY  47          1HA       GLY  47   5.997   7.919   0.587
  339   2HA   GLY  47          2HA       GLY  47   4.457   8.755   0.613
  340    H    THR  48           H        THR  48   6.883   8.069   3.234
  341    HA   THR  48           HA       THR  48   6.702  10.864   4.027
  342    HB   THR  48           HB       THR  48   7.715   8.264   5.230
  343    HG1  THR  48           HG1      THR  48   5.478   9.040   5.460
  344   1HG2  THR  48          2HG2      THR  48   9.422  10.095   5.738
  345   2HG2  THR  48          3HG2      THR  48   8.091  11.057   6.425
  346   3HG2  THR  48          1HG2      THR  48   8.547   9.507   7.172
  347    H    ALA  49           H        ALA  49   8.208  12.398   3.687
  348    HA   ALA  49           HA       ALA  49  10.143  12.043   1.753
  349   1HB   ALA  49          1HB       ALA  49   9.133  14.114   3.441
  350   2HB   ALA  49          2HB       ALA  49  10.908  14.137   3.569
  351   3HB   ALA  49          3HB       ALA  49  10.129  14.276   1.975
  352    H    GLY  50           H        GLY  50  11.667  10.436   1.916
  353   1HA   GLY  50          1HA       GLY  50  13.962  10.250   2.781
  354   2HA   GLY  50          2HA       GLY  50  13.291  10.423   4.391
  355    H    CYS  51           H        CYS  51  10.875   8.771   2.914
  356    HA   CYS  51           HA       CYS  51  12.073   6.205   3.647
  357   1HB   CYS  51          1HB       CYS  51   9.194   7.150   3.727
  358   2HB   CYS  51          2HB       CYS  51   9.655   5.469   3.908
  359    H    HIS  52           H        HIS  52   9.029   6.710   1.838
  360    HA   HIS  52           HA       HIS  52  10.322   5.439  -0.458
  361   1HB   HIS  52          1HB       HIS  52   7.452   5.419   0.502
  362   2HB   HIS  52          2HB       HIS  52   7.938   4.828  -1.075
  363    HD1  HIS  52           HD1      HIS  52   9.925   2.856  -0.931
  364    HD2  HIS  52           HD2      HIS  52   7.524   3.501   2.447
  365    HE1  HIS  52           HE1      HIS  52  10.138   0.760   0.508
  366    H    ASP  53           H        ASP  53  11.191   7.628  -1.015
  367    HA   ASP  53           HA       ASP  53   9.137   9.065  -2.486
  368   1HB   ASP  53          1HB       ASP  53   9.463  10.553  -0.682
  369   2HB   ASP  53          2HB       ASP  53  11.155  10.134  -0.507
  370    H    SER  54           H        SER  54  10.117   7.699  -4.273
  371    HA   SER  54           HA       SER  54  12.789   8.610  -4.984
  372   1HB   SER  54          1HB       SER  54  12.912   6.583  -6.406
  373   2HB   SER  54          2HB       SER  54  12.590   6.173  -4.733
  374    HG   SER  54           HG       SER  54  10.181   6.509  -5.854
  375    H    MET  55           H        MET  55   9.378   8.398  -5.955
  376    HA   MET  55           HA       MET  55   8.272   9.090  -7.707
  377   1HB   MET  55          1HB       MET  55  10.076  11.222  -6.819
  378   2HB   MET  55          2HB       MET  55   9.782  11.392  -8.538
  379   1HG   MET  55          1HG       MET  55   7.892  12.507  -7.850
  380   2HG   MET  55          2HG       MET  55   7.226  10.894  -7.694
  381   1HE   MET  55          2HE       MET  55   7.721   9.428  -5.601
  382   2HE   MET  55          3HE       MET  55   7.243  10.090  -4.020
  383   3HE   MET  55          1HE       MET  55   6.109  10.153  -5.391
  384    H    ASP  56           H        ASP  56  10.320   7.130  -8.347
  385    HA   ASP  56           HA       ASP  56  11.246   8.092 -10.926
  386   1HB   ASP  56          1HB       ASP  56  12.621   6.756  -8.990
  387   2HB   ASP  56          2HB       ASP  56  12.000   5.378  -9.877
  388    H    LYS  57           H        LYS  57   9.280   5.643  -9.194
  389    HA   LYS  57           HA       LYS  57   7.676   4.281  -9.869
  390   1HB   LYS  57          1HB       LYS  57   6.883   6.210 -11.201
  391   2HB   LYS  57          2HB       LYS  57   7.869   5.685 -12.551
  392   1HG   LYS  57          1HG       LYS  57   6.133   3.545 -11.439
  393   2HG   LYS  57          2HG       LYS  57   5.241   4.905 -12.090
  394   1HD   LYS  57          1HD       LYS  57   5.555   4.012 -14.152
  395   2HD   LYS  57          2HD       LYS  57   7.244   4.458 -14.014
  396   1HE   LYS  57          1HE       LYS  57   7.763   2.250 -14.096
  397   2HE   LYS  57          2HE       LYS  57   7.038   2.073 -12.511
  398   1HZ   LYS  57          1HZ       LYS  57   5.180   2.100 -14.758
  399   2HZ   LYS  57          2HZ       LYS  57   6.127   0.780 -14.642
  400    H    LYS  58           H        LYS  58   9.833   4.628 -12.780
  401    HA   LYS  58           HA       LYS  58   9.893   1.760 -13.027
  402   1HB   LYS  58          1HB       LYS  58   9.975   3.822 -14.823
  403   2HB   LYS  58          2HB       LYS  58  11.673   3.404 -14.719
  404   1HG   LYS  58          1HG       LYS  58  10.382   0.904 -14.823
  405   2HG   LYS  58          2HG       LYS  58   9.449   1.894 -15.927
  406   1HD   LYS  58          1HD       LYS  58  11.246   2.228 -17.384
  407   2HD   LYS  58          2HD       LYS  58  12.446   2.088 -16.116
  408   1HE   LYS  58          1HE       LYS  58  10.958  -0.422 -16.412
  409   2HE   LYS  58          2HE       LYS  58  11.656   0.068 -17.943
  410   1HZ   LYS  58          1HZ       LYS  58  13.061  -1.242 -16.135
  411   2HZ   LYS  58          2HZ       LYS  58  13.774  -0.161 -17.123
  412    H    ASP  59           H        ASP  59  10.821   1.504 -10.783
  413    HA   ASP  59           HA       ASP  59  13.705   1.561 -11.050
  414   1HB   ASP  59          1HB       ASP  59  12.632   3.485  -9.567
  415   2HB   ASP  59          2HB       ASP  59  12.401   2.207  -8.390
  416    H    LYS  60           H        LYS  60  10.836   0.608  -9.020
  417    HA   LYS  60           HA       LYS  60  10.492  -1.172  -7.715
  418   1HB   LYS  60          1HB       LYS  60  10.632  -3.334  -9.007
  419   2HB   LYS  60          2HB       LYS  60   9.710  -2.053  -9.766
  420   1HG   LYS  60          1HG       LYS  60  11.640  -1.469 -11.207
  421   2HG   LYS  60          2HG       LYS  60  12.635  -2.666 -10.402
  422   1HD   LYS  60          1HD       LYS  60  11.085  -4.474 -11.173
  423   2HD   LYS  60          2HD       LYS  60  10.089  -3.278 -11.978
  424   1HE   LYS  60          1HE       LYS  60  12.900  -2.985 -12.763
  425   2HE   LYS  60          2HE       LYS  60  12.341  -4.619 -13.057
  426   1HZ   LYS  60          1HZ       LYS  60  11.093  -3.883 -14.762
  427   2HZ   LYS  60          2HZ       LYS  60  10.383  -2.714 -13.878
  428    H    SER  61           H        SER  61  11.960  -0.876  -6.002
  429    HA   SER  61           HA       SER  61  13.985  -2.875  -5.937
  430   1HB   SER  61          1HB       SER  61  14.667   0.046  -6.177
  431   2HB   SER  61          2HB       SER  61  15.634  -0.923  -5.082
  432    HG   SER  61           HG       SER  61  16.217  -2.313  -6.806
  433    H    ALA  62           H        ALA  62  12.837   0.212  -4.386
  434    HA   ALA  62           HA       ALA  62  11.764  -1.032  -2.154
  435   1HB   ALA  62          1HB       ALA  62  14.687  -0.578  -2.057
  436   2HB   ALA  62          2HB       ALA  62  13.790   0.085  -0.671
  437   3HB   ALA  62          3HB       ALA  62  13.661  -1.645  -1.069
  438    H    LYS  63           H        LYS  63  13.803   1.839  -3.061
  439    HA   LYS  63           HA       LYS  63  12.250   3.638  -1.556
  440   1HB   LYS  63          1HB       LYS  63  14.278   3.960  -3.773
  441   2HB   LYS  63          2HB       LYS  63  13.463   5.336  -3.058
  442   1HG   LYS  63          1HG       LYS  63  14.209   4.302  -0.755
  443   2HG   LYS  63          2HG       LYS  63  15.325   3.348  -1.712
  444   1HD   LYS  63          1HD       LYS  63  16.743   5.106  -1.892
  445   2HD   LYS  63          2HD       LYS  63  15.488   6.089  -2.620
  446   1HE   LYS  63          1HE       LYS  63  15.151   5.734   0.308
  447   2HE   LYS  63          2HE       LYS  63  16.644   6.542  -0.125
  448   1HZ   LYS  63          1HZ       LYS  63  15.037   7.907  -1.670
  449   2HZ   LYS  63          2HZ       LYS  63  13.891   7.431  -0.616
  450    H    GLY  64           H        GLY  64  11.737   2.004  -4.581
  451   1HA   GLY  64          1HA       GLY  64  10.173   3.907  -5.935
  452   2HA   GLY  64          2HA       GLY  64  10.140   2.168  -6.154
  453    H    TYR  65           H        TYR  65   8.668   4.946  -4.526
  454    HA   TYR  65           HA       TYR  65   7.047   3.709  -2.685
  455   1HB   TYR  65          1HB       TYR  65   7.273   6.156  -2.949
  456   2HB   TYR  65          2HB       TYR  65   6.749   6.078  -4.620
  457    HD1  TYR  65           HD1      TYR  65   5.495   5.346  -1.161
  458    HD2  TYR  65           HD2      TYR  65   4.534   6.590  -5.140
  459    HE1  TYR  65           HE1      TYR  65   3.105   5.830  -0.441
  460    HE2  TYR  65           HE2      TYR  65   2.148   7.069  -4.406
  461    HH   TYR  65           HH       TYR  65   0.711   5.893  -2.076
  462    H    TYR  66           H        TYR  66   6.578   4.124  -6.236
  463    HA   TYR  66           HA       TYR  66   3.947   2.995  -6.148
  464   1HB   TYR  66          1HB       TYR  66   4.410   4.543  -7.930
  465   2HB   TYR  66          2HB       TYR  66   6.043   3.944  -8.143
  466    HD1  TYR  66           HD1      TYR  66   6.375   1.673  -9.266
  467    HD2  TYR  66           HD2      TYR  66   2.631   3.742  -9.277
  468    HE1  TYR  66           HE1      TYR  66   5.597   0.269 -11.237
  469    HE2  TYR  66           HE2      TYR  66   1.865   2.331 -11.248
  470    HH   TYR  66           HH       TYR  66   3.058  -0.427 -12.059
  471    H    HIS  67           H        HIS  67   6.926   1.620  -5.613
  472    HA   HIS  67           HA       HIS  67   6.319  -0.774  -7.162
  473   1HB   HIS  67          1HB       HIS  67   8.512  -0.477  -7.578
  474   2HB   HIS  67          2HB       HIS  67   8.766   0.513  -6.154
  475    HD1  HIS  67           HD1      HIS  67   9.078  -2.976  -7.422
  476    HD2  HIS  67           HD2      HIS  67   9.358  -0.968  -3.750
  477    HE1  HIS  67           HE1      HIS  67  10.209  -4.595  -5.807
  478    H    VAL  68           H        VAL  68   6.474   0.574  -3.885
  479    HA   VAL  68           HA       VAL  68   6.184  -2.046  -2.690
  480    HB   VAL  68           HB       VAL  68   6.016  -0.587  -0.594
  481   1HG1  VAL  68          2HG1      VAL  68   8.073  -1.811  -1.618
  482   2HG1  VAL  68          3HG1      VAL  68   8.617  -0.175  -2.059
  483   3HG1  VAL  68          1HG1      VAL  68   8.334  -0.588  -0.351
  484   1HG2  VAL  68          1HG2      VAL  68   5.495   1.480  -2.117
  485   2HG2  VAL  68          2HG2      VAL  68   6.504   1.679  -0.664
  486   3HG2  VAL  68          3HG2      VAL  68   7.265   1.576  -2.270
  487    H    MET  69           H        MET  69   4.171  -0.352  -4.539
  488    HA   MET  69           HA       MET  69   1.908  -0.806  -2.750
  489   1HB   MET  69          1HB       MET  69   2.167   1.137  -5.114
  490   2HB   MET  69          2HB       MET  69   0.740   0.965  -4.111
  491   1HG   MET  69          1HG       MET  69   3.427   1.635  -2.855
  492   2HG   MET  69          2HG       MET  69   2.444   2.897  -3.570
  493   1HE   MET  69          1HE       MET  69   3.565   1.520  -0.758
  494   2HE   MET  69          2HE       MET  69   2.913   3.072  -0.179
  495   3HE   MET  69          3HE       MET  69   2.321   1.543   0.515
  496    H    HIS  70           H        HIS  70   3.565  -1.799  -5.584
  497    HA   HIS  70           HA       HIS  70   1.197  -3.307  -6.392
  498   1HB   HIS  70          1HB       HIS  70   3.133  -2.126  -8.390
  499   2HB   HIS  70          2HB       HIS  70   1.607  -2.927  -8.709
  500    HD1  HIS  70           HD1      HIS  70   2.952   0.297  -7.170
  501    HD2  HIS  70           HD2      HIS  70  -0.597  -1.261  -8.775
  502    HE1  HIS  70           HE1      HIS  70   1.325   2.255  -7.342
  503    H    ASP  71           H        ASP  71   4.762  -2.926  -7.026
  504    HA   ASP  71           HA       ASP  71   5.397  -5.318  -7.887
  505   1HB   ASP  71          1HB       ASP  71   6.845  -3.265  -6.961
  506   2HB   ASP  71          2HB       ASP  71   7.003  -4.282  -5.543
  507    H    LYS  72           H        LYS  72   5.421  -7.470  -7.116
  508    HA   LYS  72           HA       LYS  72   4.473  -7.830  -4.369
  509   1HB   LYS  72          1HB       LYS  72   4.446  -9.859  -6.616
  510   2HB   LYS  72          2HB       LYS  72   3.612  -9.951  -5.078
  511   1HG   LYS  72          1HG       LYS  72   1.826  -8.959  -6.060
  512   2HG   LYS  72          2HG       LYS  72   2.769  -7.486  -6.174
  513   1HD   LYS  72          1HD       LYS  72   3.760  -8.880  -8.334
  514   2HD   LYS  72          2HD       LYS  72   2.118  -9.491  -8.290
  515   1HE   LYS  72          1HE       LYS  72   1.263  -7.118  -8.257
  516   2HE   LYS  72          2HE       LYS  72   2.913  -6.540  -8.371
  517   1HZ   LYS  72          1HZ       LYS  72   3.022  -7.991 -10.471
  518   2HZ   LYS  72          2HZ       LYS  72   1.395  -8.049 -10.409
  519    H    ASN  73           H        ASN  73   7.130  -8.413  -6.635
  520    HA   ASN  73           HA       ASN  73   8.359 -10.370  -5.018
  521   1HB   ASN  73          1HB       ASN  73   9.315  -8.619  -7.331
  522   2HB   ASN  73          2HB       ASN  73  10.401  -9.733  -6.524
  523   1HD2  ASN  73          2HD2      ASN  73   9.050 -11.482  -9.466
  524   2HD2  ASN  73          1HD2      ASN  73  10.031 -10.098  -9.116
  525    H    THR  74           H        THR  74   7.895  -8.668  -3.071
  526    HA   THR  74           HA       THR  74  10.351  -7.071  -2.758
  527    HB   THR  74           HB       THR  74   8.870  -5.508  -1.406
  528    HG1  THR  74           HG1      THR  74   6.643  -6.041  -1.410
  529   1HG2  THR  74          2HG2      THR  74   9.111  -5.574  -4.165
  530   2HG2  THR  74          3HG2      THR  74   7.347  -5.712  -3.964
  531   3HG2  THR  74          1HG2      THR  74   8.215  -4.319  -3.275
  532    H    LYS  75           H        LYS  75  11.109  -6.819  -0.528
  533    HA   LYS  75           HA       LYS  75  11.150  -9.314   0.761
  534   1HB   LYS  75          1HB       LYS  75  13.059  -7.877   0.871
  535   2HB   LYS  75          2HB       LYS  75  12.123  -6.560   1.549
  536   1HG   LYS  75          1HG       LYS  75  11.635  -8.007   3.571
  537   2HG   LYS  75          2HG       LYS  75  12.680  -9.243   2.900
  538   1HD   LYS  75          1HD       LYS  75  14.445  -7.239   2.758
  539   2HD   LYS  75          2HD       LYS  75  13.420  -6.519   3.983
  540   1HE   LYS  75          1HE       LYS  75  13.751  -9.206   4.823
  541   2HE   LYS  75          2HE       LYS  75  15.333  -8.729   4.237
  542   1HZ   LYS  75          1HZ       LYS  75  13.969  -6.785   5.930
  543   2HZ   LYS  75          2HZ       LYS  75  14.483  -8.135   6.681
  544    H    PHE  76           H        PHE  76   9.002  -6.543   0.918
  545    HA   PHE  76           HA       PHE  76   7.721  -7.759   3.273
  546   1HB   PHE  76          1HB       PHE  76   7.928  -4.887   2.177
  547   2HB   PHE  76          2HB       PHE  76   6.864  -5.310   3.504
  548    HD1  PHE  76           HD2      PHE  76   8.141  -6.680   5.475
  549    HD2  PHE  76           HD1      PHE  76   9.976  -3.958   2.731
  550    HE1  PHE  76           HE2      PHE  76  10.046  -6.299   7.116
  551    HE2  PHE  76           HE1      PHE  76  11.874  -3.586   4.381
  552    HZ   PHE  76           HZ       PHE  76  11.828  -4.848   6.587
  553    H    LYS  77           H        LYS  77   5.336  -7.559   3.353
  554    HA   LYS  77           HA       LYS  77   4.199  -8.326   0.898
  555   1HB   LYS  77          1HB       LYS  77   3.122  -7.707   3.644
  556   2HB   LYS  77          2HB       LYS  77   2.032  -8.013   2.307
  557   1HG   LYS  77          1HG       LYS  77   3.923 -10.071   2.064
  558   2HG   LYS  77          2HG       LYS  77   3.745  -9.902   3.799
  559   1HD   LYS  77          1HD       LYS  77   1.124  -9.770   2.523
  560   2HD   LYS  77          2HD       LYS  77   1.968 -11.212   1.994
  561   1HE   LYS  77          1HE       LYS  77   1.974 -12.163   4.109
  562   2HE   LYS  77          2HE       LYS  77   2.144 -10.621   4.924
  563   1HZ   LYS  77          1HZ       LYS  77  -0.047 -10.941   5.363
  564   2HZ   LYS  77          2HZ       LYS  77  -0.313 -10.389   3.854
  565    H    SER  78           H        SER  78   3.398  -7.142  -0.757
  566    HA   SER  78           HA       SER  78   3.286  -4.284  -0.318
  567   1HB   SER  78          1HB       SER  78   4.001  -4.094  -2.461
  568   2HB   SER  78          2HB       SER  78   4.317  -5.816  -2.391
  569    HG   SER  78           HG       SER  78   3.009  -5.378  -4.217
  570    H    CYS  79           H        CYS  79   1.420  -3.072  -1.438
  571    HA   CYS  79           HA       CYS  79  -0.971  -3.802  -0.396
  572   1HB   CYS  79          1HB       CYS  79  -0.584  -2.224  -2.947
  573   2HB   CYS  79          2HB       CYS  79  -1.997  -2.201  -1.911
  574    H    VAL  80           H        VAL  80  -0.106  -4.030  -3.933
  575    HA   VAL  80           HA       VAL  80  -2.257  -5.727  -4.532
  576    HB   VAL  80           HB       VAL  80   0.348  -5.144  -5.950
  577   1HG1  VAL  80          2HG1      VAL  80  -2.017  -6.823  -6.742
  578   2HG1  VAL  80          3HG1      VAL  80  -1.126  -5.909  -7.983
  579   3HG1  VAL  80          1HG1      VAL  80  -0.278  -7.117  -6.988
  580   1HG2  VAL  80          3HG2      VAL  80  -2.352  -3.860  -5.878
  581   2HG2  VAL  80          1HG2      VAL  80  -0.735  -3.125  -6.001
  582   3HG2  VAL  80          2HG2      VAL  80  -1.477  -3.888  -7.428
  583    H    GLY  81           H        GLY  81   1.108  -6.282  -3.456
  584   1HA   GLY  81          1HA       GLY  81   1.439  -8.943  -4.076
  585   2HA   GLY  81          2HA       GLY  81   2.115  -8.134  -2.676
  586    H    CYS  82           H        CYS  82   0.193  -7.609  -0.922
  587    HA   CYS  82           HA       CYS  82  -0.525 -10.118   0.056
  588   1HB   CYS  82          1HB       CYS  82  -0.134  -8.148   1.488
  589   2HB   CYS  82          2HB       CYS  82  -1.575  -7.381   0.850
  590    H    HIS  83           H        HIS  83  -2.333  -7.494  -1.663
  591    HA   HIS  83           HA       HIS  83  -4.852  -8.554  -1.494
  592   1HB   HIS  83          1HB       HIS  83  -3.453  -6.804  -3.495
  593   2HB   HIS  83          2HB       HIS  83  -5.085  -7.352  -3.820
  594    HD1  HIS  83           HD1      HIS  83  -6.058  -4.952  -3.590
  595    HD2  HIS  83           HD2      HIS  83  -4.151  -6.368  -0.133
  596    HE1  HIS  83           HE1      HIS  83  -6.687  -3.339  -1.715
  597    H    VAL  84           H        VAL  84  -2.207  -9.269  -3.843
  598    HA   VAL  84           HA       VAL  84  -3.670 -10.905  -5.534
  599    HB   VAL  84           HB       VAL  84  -0.756 -10.884  -4.739
  600   1HG1  VAL  84          3HG1      VAL  84  -2.242 -12.761  -6.439
  601   2HG1  VAL  84          1HG1      VAL  84  -0.869 -11.989  -7.267
  602   3HG1  VAL  84          2HG1      VAL  84  -0.605 -12.883  -5.751
  603   1HG2  VAL  84          3HG2      VAL  84  -2.228  -9.024  -6.149
  604   2HG2  VAL  84          1HG2      VAL  84  -0.464  -9.243  -6.245
  605   3HG2  VAL  84          2HG2      VAL  84  -1.525 -10.026  -7.441
  606    H    GLU  85           H        GLU  85  -2.109 -11.537  -2.369
  607    HA   GLU  85           HA       GLU  85  -2.517 -14.328  -2.559
  608   1HB   GLU  85          1HB       GLU  85  -1.406 -12.402  -0.603
  609   2HB   GLU  85          2HB       GLU  85  -2.199 -13.773   0.147
  610   1HG   GLU  85          1HG       GLU  85  -0.610 -14.736  -2.078
  611   2HG   GLU  85          2HG       GLU  85   0.392 -13.689  -1.093
  612    H    VAL  86           H        VAL  86  -4.335 -11.527  -1.307
  613    HA   VAL  86           HA       VAL  86  -6.207 -13.107   0.149
  614    HB   VAL  86           HB       VAL  86  -6.293 -10.245  -0.829
  615   1HG1  VAL  86          1HG1      VAL  86  -8.531 -11.214  -0.289
  616   2HG1  VAL  86          2HG1      VAL  86  -7.943 -11.557   1.356
  617   3HG1  VAL  86          3HG1      VAL  86  -8.054  -9.875   0.783
  618   1HG2  VAL  86          3HG2      VAL  86  -4.513 -11.293   0.949
  619   2HG2  VAL  86          1HG2      VAL  86  -5.096  -9.612   0.979
  620   3HG2  VAL  86          2HG2      VAL  86  -5.845 -10.833   2.036
  621    H    ALA  87           H        ALA  87  -6.293 -11.295  -3.000
  622    HA   ALA  87           HA       ALA  87  -8.859 -12.256  -3.673
  623   1HB   ALA  87          2HB       ALA  87  -7.778 -10.174  -4.549
  624   2HB   ALA  87          3HB       ALA  87  -6.642 -11.190  -5.469
  625   3HB   ALA  87          1HB       ALA  87  -8.383 -11.243  -5.838
  626    H    GLY  88           H        GLY  88  -5.501 -13.386  -4.242
  627   1HA   GLY  88          1HA       GLY  88  -4.717 -15.200  -5.361
  628   2HA   GLY  88          2HA       GLY  88  -5.907 -16.024  -4.374
  629    H    ALA  89           H        ALA  89  -7.201 -17.381  -5.524
  630    HA   ALA  89           HA       ALA  89  -7.844 -16.576  -8.278
  631   1HB   ALA  89          2HB       ALA  89  -7.207 -19.215  -6.972
  632   2HB   ALA  89          3HB       ALA  89  -8.282 -19.181  -8.391
  633   3HB   ALA  89          1HB       ALA  89  -6.625 -18.543  -8.514
  634    H    ASP  90           H        ASP  90  -9.451 -15.238  -6.756
  635    HA   ASP  90           HA       ASP  90 -11.740 -16.964  -6.241
  636   1HB   ASP  90          1HB       ASP  90 -10.627 -15.353  -4.445
  637   2HB   ASP  90          2HB       ASP  90 -11.500 -14.093  -5.295
  638    H    ALA  91           H        ALA  91 -10.352 -14.498  -8.258
  639    HA   ALA  91           HA       ALA  91 -11.106 -13.287  -9.948
  640   1HB   ALA  91          3HB       ALA  91 -12.015 -15.440 -10.722
  641   2HB   ALA  91          1HB       ALA  91 -13.502 -15.161  -9.785
  642   3HB   ALA  91          2HB       ALA  91 -13.106 -14.104 -11.161
  643    H    ALA  92           H        ALA  92 -12.311 -11.369 -10.355
  644    HA   ALA  92           HA       ALA  92 -13.813  -9.752  -9.955
  645   1HB   ALA  92          1HB       ALA  92 -15.163 -11.886  -8.914
  646   2HB   ALA  92          2HB       ALA  92 -14.949 -10.889  -7.455
  647   3HB   ALA  92          3HB       ALA  92 -15.770 -10.214  -8.883
  648    H    LYS  93           H        LYS  93 -12.454 -11.278  -6.956
  649    HA   LYS  93           HA       LYS  93 -12.168  -8.815  -5.614
  650   1HB   LYS  93          1HB       LYS  93 -10.893 -11.529  -5.166
  651   2HB   LYS  93          2HB       LYS  93 -10.728 -10.170  -4.072
  652   1HG   LYS  93          1HG       LYS  93 -13.398 -10.123  -4.222
  653   2HG   LYS  93          2HG       LYS  93 -13.196 -11.790  -4.726
  654   1HD   LYS  93          1HD       LYS  93 -12.496 -12.484  -2.641
  655   2HD   LYS  93          2HD       LYS  93 -11.583 -11.019  -2.340
  656   1HE   LYS  93          1HE       LYS  93 -14.632 -11.066  -2.316
  657   2HE   LYS  93          2HE       LYS  93 -13.682 -11.392  -0.881
  658   1HZ   LYS  93          1HZ       LYS  93 -13.676  -8.877  -2.455
  659   2HZ   LYS  93          2HZ       LYS  93 -14.173  -9.065  -0.916
  660    H    LYS  94           H        LYS  94  -9.945 -10.868  -7.589
  661    HA   LYS  94           HA       LYS  94  -7.701  -9.226  -7.186
  662   1HB   LYS  94          1HB       LYS  94  -8.046 -11.695  -8.150
  663   2HB   LYS  94          2HB       LYS  94  -8.001 -10.844  -9.681
  664   1HG   LYS  94          1HG       LYS  94  -5.785 -10.164  -9.409
  665   2HG   LYS  94          2HG       LYS  94  -5.898 -10.107  -7.661
  666   1HD   LYS  94          1HD       LYS  94  -4.778 -12.091  -7.683
  667   2HD   LYS  94          2HD       LYS  94  -6.305 -12.809  -8.154
  668   1HE   LYS  94          1HE       LYS  94  -5.023 -13.573  -9.923
  669   2HE   LYS  94          2HE       LYS  94  -5.500 -12.033 -10.610
  670   1HZ   LYS  94          1HZ       LYS  94  -3.170 -11.770  -8.970
  671   2HZ   LYS  94          2HZ       LYS  94  -2.921 -12.849 -10.165
  672    H    LYS  95           H        LYS  95 -10.646  -8.632  -8.779
  673    HA   LYS  95           HA       LYS  95  -9.393  -6.827 -10.704
  674   1HB   LYS  95          1HB       LYS  95 -11.531  -8.577 -10.923
  675   2HB   LYS  95          2HB       LYS  95 -12.319  -7.027 -10.718
  676   1HG   LYS  95          1HG       LYS  95 -11.325  -6.105 -12.658
  677   2HG   LYS  95          2HG       LYS  95  -9.993  -7.244 -12.643
  678   1HD   LYS  95          1HD       LYS  95 -12.588  -8.614 -12.890
  679   2HD   LYS  95          2HD       LYS  95 -12.352  -7.445 -14.173
  680   1HE   LYS  95          1HE       LYS  95 -11.080  -9.017 -15.215
  681   2HE   LYS  95          2HE       LYS  95  -9.850  -8.694 -14.010
  682   1HZ   LYS  95          1HZ       LYS  95 -10.980 -10.415 -12.597
  683   2HZ   LYS  95          2HZ       LYS  95 -11.945 -10.791 -13.854
  684    H    ASP  96           H        ASP  96 -10.723  -6.926  -7.534
  685    HA   ASP  96           HA       ASP  96 -11.128  -4.042  -7.685
  686   1HB   ASP  96          1HB       ASP  96 -12.826  -6.169  -6.639
  687   2HB   ASP  96          2HB       ASP  96 -12.386  -5.082  -5.337
  688    H    LEU  97           H        LEU  97  -8.965  -6.352  -6.837
  689    HA   LEU  97           HA       LEU  97  -8.179  -4.951  -4.378
  690   1HB   LEU  97          1HB       LEU  97  -8.111  -7.894  -5.015
  691   2HB   LEU  97          2HB       LEU  97  -7.119  -7.183  -3.757
  692    HG   LEU  97           HG       LEU  97 -10.112  -7.470  -3.870
  693   1HD1  LEU  97          1HD1      LEU  97  -7.905  -8.335  -2.018
  694   2HD1  LEU  97          2HD1      LEU  97  -9.588  -8.226  -1.448
  695   3HD1  LEU  97          3HD1      LEU  97  -9.175  -9.305  -2.802
  696   1HD2  LEU  97          2HD2      LEU  97  -8.550  -5.347  -2.460
  697   2HD2  LEU  97          3HD2      LEU  97 -10.168  -5.285  -3.199
  698   3HD2  LEU  97          1HD2      LEU  97  -9.939  -6.084  -1.626
  699    H    THR  98           H        THR  98  -7.159  -6.794  -7.309
  700    HA   THR  98           HA       THR  98  -4.620  -5.302  -7.177
  701    HB   THR  98           HB       THR  98  -3.508  -7.288  -7.990
  702    HG1  THR  98           HG1      THR  98  -4.895  -8.203  -9.491
  703   1HG2  THR  98          2HG2      THR  98  -5.722  -8.245  -6.099
  704   2HG2  THR  98          3HG2      THR  98  -4.207  -9.113  -6.444
  705   3HG2  THR  98          1HG2      THR  98  -4.165  -7.556  -5.581
  706    H    GLY  99           H        GLY  99  -7.534  -5.204  -8.587
  707   1HA   GLY  99          1HA       GLY  99  -7.064  -5.331 -11.342
  708   2HA   GLY  99          2HA       GLY  99  -8.317  -4.407 -10.536
  709    H    CYS 100           H        CYS 100  -6.474  -3.770 -12.891
  710    HA   CYS 100           HA       CYS 100  -4.768  -1.708 -11.875
  711   1HB   CYS 100          1HB       CYS 100  -5.410  -2.820 -14.580
  712   2HB   CYS 100          2HB       CYS 100  -4.666  -1.237 -14.467
  713    H    LYS 101           H        LYS 101  -7.779  -1.958 -13.901
  714    HA   LYS 101           HA       LYS 101  -8.417   0.774 -13.034
  715   1HB   LYS 101          1HB       LYS 101  -7.662   0.714 -15.401
  716   2HB   LYS 101          2HB       LYS 101  -8.948  -0.417 -15.772
  717   1HG   LYS 101          1HG       LYS 101 -10.498   1.436 -14.633
  718   2HG   LYS 101          2HG       LYS 101  -9.156   2.500 -15.001
  719   1HD   LYS 101          1HD       LYS 101  -9.396   2.240 -17.327
  720   2HD   LYS 101          2HD       LYS 101 -10.160   0.669 -17.183
  721   1HE   LYS 101          1HE       LYS 101 -12.177   1.844 -16.131
  722   2HE   LYS 101          2HE       LYS 101 -11.417   3.374 -16.525
  723   1HZ   LYS 101          1HZ       LYS 101 -13.007   1.981 -18.213
  724   2HZ   LYS 101          2HZ       LYS 101 -11.952   3.123 -18.697
  725    H    LYS 102           H        LYS 102 -10.538   1.140 -12.364
  726    HA   LYS 102           HA       LYS 102 -12.601   0.673 -11.717
  727   1HB   LYS 102          1HB       LYS 102 -12.268  -1.099 -14.015
  728   2HB   LYS 102          2HB       LYS 102 -13.375  -1.764 -12.831
  729   1HG   LYS 102          1HG       LYS 102 -14.859   0.076 -12.977
  730   2HG   LYS 102          2HG       LYS 102 -13.625   1.155 -13.599
  731   1HD   LYS 102          1HD       LYS 102 -14.229   0.662 -15.726
  732   2HD   LYS 102          2HD       LYS 102 -13.866  -1.031 -15.459
  733   1HE   LYS 102          1HE       LYS 102 -16.142  -1.394 -14.517
  734   2HE   LYS 102          2HE       LYS 102 -16.510   0.309 -14.710
  735   1HZ   LYS 102          1HZ       LYS 102 -16.016  -1.654 -16.874
  736   2HZ   LYS 102          2HZ       LYS 102 -17.371  -0.789 -16.615
  737    H    SER 103           H        SER 103 -10.492   0.116 -10.033
  738    HA   SER 103           HA       SER 103 -11.384  -2.385  -8.824
  739   1HB   SER 103          1HB       SER 103  -8.897  -1.956  -7.716
  740   2HB   SER 103          2HB       SER 103  -9.215  -3.019  -9.072
  741    HG   SER 103           HG       SER 103  -8.504  -0.217  -9.288
  742    H    LYS 104           H        LYS 104 -10.260  -2.161  -6.296
  743    HA   LYS 104           HA       LYS 104 -11.928  -0.153  -5.142
  744   1HB   LYS 104          1HB       LYS 104 -10.005  -2.168  -3.947
  745   2HB   LYS 104          2HB       LYS 104 -11.004  -1.086  -2.997
  746   1HG   LYS 104          1HG       LYS 104 -12.295  -2.798  -5.138
  747   2HG   LYS 104          2HG       LYS 104 -11.874  -3.523  -3.599
  748   1HD   LYS 104          1HD       LYS 104 -13.154  -1.037  -2.988
  749   2HD   LYS 104          2HD       LYS 104 -14.120  -1.789  -4.242
  750   1HE   LYS 104          1HE       LYS 104 -13.562  -3.945  -2.560
  751   2HE   LYS 104          2HE       LYS 104 -13.716  -2.620  -1.423
  752   1HZ   LYS 104          1HZ       LYS 104 -15.895  -3.433  -1.756
  753   2HZ   LYS 104          2HZ       LYS 104 -15.863  -2.081  -2.663
  754    H    CYS 105           H        CYS 105  -8.521  -0.496  -6.039
  755    HA   CYS 105           HA       CYS 105  -7.753   1.762  -4.434
  756   1HB   CYS 105          1HB       CYS 105  -6.129   0.276  -6.524
  757   2HB   CYS 105          2HB       CYS 105  -5.520   1.391  -5.316
  758    H    HIS 106           H        HIS 106  -7.500   0.948  -7.981
  759    HA   HIS 106           HA       HIS 106  -7.751   3.788  -8.542
  760   1HB   HIS 106          1HB       HIS 106  -6.967   1.454 -10.310
  761   2HB   HIS 106          2HB       HIS 106  -7.040   3.125 -10.832
  762    HD1  HIS 106           HD1      HIS 106  -5.520   4.735  -8.908
  763    HD2  HIS 106           HD2      HIS 106  -4.386   0.792  -9.780
  764    HE1  HIS 106           HE1      HIS 106  -3.058   4.541  -8.266
  765    H    GLU 107           H        GLU 107  -9.531   4.696  -9.520
  766    HA   GLU 107           HA       GLU 107 -11.641   2.797 -10.191
  767   1HB   GLU 107          1HB       GLU 107 -13.257   4.545  -9.571
  768   2HB   GLU 107          2HB       GLU 107 -12.173   4.219  -8.234
  769   1HG   GLU 107          1HG       GLU 107 -11.021   6.257  -8.479
  770   2HG   GLU 107          2HG       GLU 107 -11.417   6.402 -10.180
  771    HHA  HEC 108           HHA      HEC 108  -0.887   6.510   7.514
  772    HHB  HEC 108           HHB      HEC 108  -1.742   3.836  13.278
  773    HHC  HEC 108           HHC      HEC 108  -2.473  -1.901  10.519
  774    HHD  HEC 108           HHD      HEC 108  -1.205   0.727   4.769
  775   1HMA  HEC 108          1HMA      HEC 108  -0.969   5.807  13.542
  776   2HMA  HEC 108          2HMA      HEC 108  -0.682   7.375  12.750
  777   3HMA  HEC 108          3HMA      HEC 108  -2.346   6.801  13.011
  778   1HAA  HEC 108          1HAA      HEC 108  -1.131   8.018   8.877
  779   2HAA  HEC 108          2HAA      HEC 108  -1.414   8.448  10.580
  780   1HBA  HEC 108          1HBA      HEC 108   1.223   7.367  10.339
  781   2HBA  HEC 108          2HBA      HEC 108   0.988   8.613   9.090
  782   1HMB  HEC 108          1HMB      HEC 108  -1.927   2.382  14.786
  783   2HMB  HEC 108          2HMB      HEC 108  -3.629   1.872  14.686
  784   3HMB  HEC 108          3HMB      HEC 108  -2.375   0.698  15.151
  785    HAB  HEC 108           HAB      HEC 108  -3.176  -2.045  12.384
  786   1HBB  HEC 108          1HBB      HEC 108  -4.160  -0.265  14.604
  787   2HBB  HEC 108          2HBB      HEC 108  -5.092  -1.197  13.407
  788   3HBB  HEC 108          3HBB      HEC 108  -4.235  -2.040  14.720
  789   1HMC  HEC 108          1HMC      HEC 108  -1.789  -3.853   7.571
  790   2HMC  HEC 108          2HMC      HEC 108  -2.466  -3.366   9.144
  791   3HMC  HEC 108          3HMC      HEC 108  -3.514  -3.435   7.707
  792    HAC  HEC 108           HAC      HEC 108  -2.007  -1.181   4.441
  793   1HBC  HEC 108          1HBC      HEC 108  -2.785  -3.387   4.020
  794   2HBC  HEC 108          2HBC      HEC 108  -2.520  -3.875   5.711
  795   3HBC  HEC 108          3HBC      HEC 108  -3.800  -2.705   5.313
  796   1HMD  HEC 108          1HMD      HEC 108  -1.403   2.930   3.009
  797   2HMD  HEC 108          2HMD      HEC 108   0.136   3.822   3.065
  798   3HMD  HEC 108          3HMD      HEC 108   0.093   2.095   3.493
  799   1HAD  HEC 108          1HAD      HEC 108  -0.589   6.744   5.530
  800   2HAD  HEC 108          2HAD      HEC 108   0.839   5.968   4.805
  801   1HBD  HEC 108          1HBD      HEC 108  -1.427   5.250   3.240
  802   2HBD  HEC 108          2HBD      HEC 108  -1.480   7.007   3.524
  803    HHA  HEC 109           HHA      HEC 109  11.705  -2.212   1.582
  804    HHB  HEC 109           HHB      HEC 109   5.334  -1.560   1.276
  805    HHC  HEC 109           HHC      HEC 109   5.627   3.292   5.456
  806    HHD  HEC 109           HHD      HEC 109  12.094   3.260   4.902
  807   1HMA  HEC 109          1HMA      HEC 109   6.648  -4.464   0.706
  808   2HMA  HEC 109          2HMA      HEC 109   5.868  -3.030  -0.004
  809   3HMA  HEC 109          3HMA      HEC 109   7.207  -3.832  -0.861
  810   1HAA  HEC 109          1HAA      HEC 109  10.967  -3.867   0.690
  811   2HAA  HEC 109          2HAA      HEC 109   9.511  -4.794   0.258
  812   1HBA  HEC 109          1HBA      HEC 109   9.316  -3.448  -1.813
  813   2HBA  HEC 109          2HBA      HEC 109  10.840  -2.632  -1.390
  814   1HMB  HEC 109          1HMB      HEC 109   2.905  -1.175   3.216
  815   2HMB  HEC 109          2HMB      HEC 109   2.390   0.331   2.421
  816   3HMB  HEC 109          3HMB      HEC 109   3.422  -0.827   1.549
  817    HAB  HEC 109           HAB      HEC 109   3.732   2.725   5.342
  818   1HBB  HEC 109          1HBB      HEC 109   1.761   0.623   4.432
  819   2HBB  HEC 109          2HBB      HEC 109   2.820   0.434   5.850
  820   3HBB  HEC 109          3HBB      HEC 109   1.621   1.748   5.804
  821   1HMC  HEC 109          1HMC      HEC 109   7.129   4.646   7.602
  822   2HMC  HEC 109          2HMC      HEC 109   8.029   5.992   6.862
  823   3HMC  HEC 109          3HMC      HEC 109   6.573   5.350   6.064
  824    HAC  HEC 109           HAC      HEC 109  11.636   4.787   6.032
  825   1HBC  HEC 109          1HBC      HEC 109  11.573   5.551   8.208
  826   2HBC  HEC 109          2HBC      HEC 109   9.811   5.800   8.187
  827   3HBC  HEC 109          3HBC      HEC 109  10.476   4.151   8.271
  828   1HMD  HEC 109          1HMD      HEC 109  13.972   2.898   4.004
  829   2HMD  HEC 109          2HMD      HEC 109  14.541   1.459   4.885
  830   3HMD  HEC 109          3HMD      HEC 109  14.982   1.689   3.176
  831   1HAD  HEC 109          1HAD      HEC 109  13.671  -1.864   2.001
  832   2HAD  HEC 109          2HAD      HEC 109  14.330  -0.393   1.246
  833   1HBD  HEC 109          1HBD      HEC 109  15.003  -0.529   4.067
  834   2HBD  HEC 109          2HBD      HEC 109  15.541  -1.978   3.184
  835    HHA  HEC 110           HHA      HEC 110 -10.189  -4.799   0.890
  836    HHB  HEC 110           HHB      HEC 110  -6.354   0.043  -0.829
  837    HHC  HEC 110           HHC      HEC 110  -1.419  -2.886   2.018
  838    HHD  HEC 110           HHD      HEC 110  -5.123  -8.017   3.142
  839   1HMA  HEC 110          1HMA      HEC 110  -8.542  -0.092  -2.253
  840   2HMA  HEC 110          2HMA      HEC 110 -10.127  -0.102  -1.443
  841   3HMA  HEC 110          3HMA      HEC 110  -8.748   0.735  -0.691
  842   1HAA  HEC 110          1HAA      HEC 110 -11.290  -1.766  -1.123
  843   2HAA  HEC 110          2HAA      HEC 110 -11.162  -3.526  -0.889
  844   1HBA  HEC 110          1HBA      HEC 110 -12.832  -2.682   0.592
  845   2HBA  HEC 110          2HBA      HEC 110 -11.418  -3.147   1.568
  846   1HMB  HEC 110          1HMB      HEC 110  -4.391   0.835  -1.725
  847   2HMB  HEC 110          2HMB      HEC 110  -4.185   1.691  -0.178
  848   3HMB  HEC 110          3HMB      HEC 110  -2.757   1.185  -1.112
  849    HAB  HEC 110           HAB      HEC 110  -0.719  -1.218   1.179
  850   1HBB  HEC 110          1HBB      HEC 110  -0.575   1.430   0.197
  851   2HBB  HEC 110          2HBB      HEC 110  -2.067   1.308   1.161
  852   3HBB  HEC 110          3HBB      HEC 110  -0.501   0.867   1.884
  853   1HMC  HEC 110          1HMC      HEC 110  -0.165  -4.502   2.315
  854   2HMC  HEC 110          2HMC      HEC 110  -0.256  -5.528   3.767
  855   3HMC  HEC 110          3HMC      HEC 110  -0.024  -6.270   2.166
  856    HAC  HEC 110           HAC      HEC 110  -3.195  -8.245   4.158
  857   1HBC  HEC 110          1HBC      HEC 110  -1.170  -7.058   5.017
  858   2HBC  HEC 110          2HBC      HEC 110  -0.966  -8.812   4.797
  859   3HBC  HEC 110          3HBC      HEC 110  -0.275  -7.680   3.611
  860   1HMD  HEC 110          1HMD      HEC 110  -8.738  -9.020   3.714
  861   2HMD  HEC 110          2HMD      HEC 110  -7.388  -9.557   2.686
  862   3HMD  HEC 110          3HMD      HEC 110  -7.059  -8.725   4.225
  863   1HAD  HEC 110          1HAD      HEC 110 -10.348  -8.170   2.694
  864   2HAD  HEC 110          2HAD      HEC 110 -10.817  -6.457   2.822
  865   1HBD  HEC 110          1HBD      HEC 110 -10.203  -7.052   0.087
  866   2HBD  HEC 110          2HBD      HEC 110 -11.335  -8.271   0.719
  867    HHA  HEC 111           HHA      HEC 111   0.355   5.591  -7.676
  868    HHB  HEC 111           HHB      HEC 111  -0.586   2.085 -12.961
  869    HHC  HEC 111           HHC      HEC 111  -3.238  -2.561  -9.432
  870    HHD  HEC 111           HHD      HEC 111  -2.997   1.328  -4.260
  871   1HMA  HEC 111          1HMA      HEC 111   0.169   5.270 -13.226
  872   2HMA  HEC 111          2HMA      HEC 111   1.824   4.764 -12.806
  873   3HMA  HEC 111          3HMA      HEC 111   0.662   3.573 -13.438
  874   1HAA  HEC 111          1HAA      HEC 111   0.605   6.992 -10.713
  875   2HAA  HEC 111          2HAA      HEC 111   1.273   6.506  -9.136
  876   1HBA  HEC 111          1HBA      HEC 111   3.309   6.533  -9.998
  877   2HBA  HEC 111          2HBA      HEC 111   2.844   5.277 -11.170
  878   1HMB  HEC 111          1HMB      HEC 111  -0.956  -1.538 -14.086
  879   2HMB  HEC 111          2HMB      HEC 111  -1.768   0.011 -14.416
  880   3HMB  HEC 111          3HMB      HEC 111  -0.069  -0.009 -13.885
  881    HAB  HEC 111           HAB      HEC 111  -3.369  -3.082 -11.533
  882   1HBB  HEC 111          1HBB      HEC 111  -0.476  -3.332 -11.424
  883   2HBB  HEC 111          2HBB      HEC 111  -1.748  -4.482 -10.946
  884   3HBB  HEC 111          3HBB      HEC 111  -1.198  -4.416 -12.638
  885   1HMC  HEC 111          1HMC      HEC 111  -4.479  -3.310  -7.990
  886   2HMC  HEC 111          2HMC      HEC 111  -4.277  -3.599  -6.245
  887   3HMC  HEC 111          3HMC      HEC 111  -5.707  -2.725  -6.843
  888    HAC  HEC 111           HAC      HEC 111  -3.913  -0.353  -3.699
  889   1HBC  HEC 111          1HBC      HEC 111  -3.320  -2.887  -4.310
  890   2HBC  HEC 111          2HBC      HEC 111  -4.129  -2.417  -2.796
  891   3HBC  HEC 111          3HBC      HEC 111  -5.087  -3.043  -4.160
  892   1HMD  HEC 111          1HMD      HEC 111  -1.830   4.494  -2.910
  893   2HMD  HEC 111          2HMD      HEC 111  -2.512   2.855  -3.034
  894   3HMD  HEC 111          3HMD      HEC 111  -0.770   3.074  -2.738
  895   1HAD  HEC 111          1HAD      HEC 111   0.547   5.387  -4.043
  896   2HAD  HEC 111          2HAD      HEC 111   0.706   5.967  -5.718
  897   1HBD  HEC 111          1HBD      HEC 111  -1.704   6.845  -5.411
  898   2HBD  HEC 111          2HBD      HEC 111  -1.395   6.625  -3.672
   
  No H/Q in entry =         898
  Start of MODEL    2
    1   1H    ALA   1          1H        ALA   1   2.564   3.591  21.377
    2   2H    ALA   1          2H        ALA   1   3.511   2.904  20.205
    3    HA   ALA   1           HA       ALA   1   1.780   3.001  18.635
    4   1HB   ALA   1          1HB       ALA   1   1.021   1.699  21.282
    5   2HB   ALA   1          2HB       ALA   1   0.305   1.304  19.701
    6   3HB   ALA   1          3HB       ALA   1   2.030   0.982  20.002
    7    HA   PRO   2           HA       PRO   2  -0.861   6.350  19.872
    8   1HB   PRO   2          1HB       PRO   2  -1.314   7.326  17.360
    9   2HB   PRO   2          2HB       PRO   2   0.014   7.861  18.371
   10   1HG   PRO   2          1HG       PRO   2   0.079   6.065  16.024
   11   2HG   PRO   2          2HG       PRO   2   1.400   6.940  16.774
   12   1HD   PRO   2          1HD       PRO   2   0.829   4.140  17.031
   13   2HD   PRO   2          2HD       PRO   2   2.078   5.037  17.872
   14    H    LYS   3           H        LYS   3  -2.020   5.641  16.681
   15    HA   LYS   3           HA       LYS   3  -3.822   3.662  17.273
   16   1HB   LYS   3          1HB       LYS   3  -4.556   5.990  18.660
   17   2HB   LYS   3          2HB       LYS   3  -5.626   5.942  17.273
   18   1HG   LYS   3          1HG       LYS   3  -5.607   3.275  18.092
   19   2HG   LYS   3          2HG       LYS   3  -5.498   4.131  19.618
   20   1HD   LYS   3          1HD       LYS   3  -7.601   5.095  19.398
   21   2HD   LYS   3          2HD       LYS   3  -7.498   5.195  17.652
   22   1HE   LYS   3          1HE       LYS   3  -8.621   3.236  17.414
   23   2HE   LYS   3          2HE       LYS   3  -7.468   2.397  18.433
   24   1HZ   LYS   3          1HZ       LYS   3  -9.446   2.243  19.630
   25   2HZ   LYS   3          2HZ       LYS   3  -8.769   3.538  20.347
   26    H    ALA   4           H        ALA   4  -5.419   3.368  15.500
   27    HA   ALA   4           HA       ALA   4  -4.263   4.076  13.038
   28   1HB   ALA   4          1HB       ALA   4  -6.921   2.847  13.852
   29   2HB   ALA   4          2HB       ALA   4  -6.422   3.049  12.155
   30   3HB   ALA   4          3HB       ALA   4  -5.469   2.015  13.246
   31    HA   PRO   5           HA       PRO   5  -6.148   7.924  12.393
   32   1HB   PRO   5          1HB       PRO   5  -5.708   8.218   9.712
   33   2HB   PRO   5          2HB       PRO   5  -4.492   8.561  10.926
   34   1HG   PRO   5          1HG       PRO   5  -4.688   6.242   9.104
   35   2HG   PRO   5          2HG       PRO   5  -3.299   6.817  10.004
   36   1HD   PRO   5          1HD       PRO   5  -4.946   4.558  10.649
   37   2HD   PRO   5          2HD       PRO   5  -3.628   5.203  11.608
   38    H    ALA   6           H        ALA   6  -7.854   9.131  11.174
   39    HA   ALA   6           HA       ALA   6 -10.183   7.639  11.254
   40   1HB   ALA   6          1HB       ALA   6  -9.436  10.246   9.882
   41   2HB   ALA   6          2HB       ALA   6 -11.102   9.622   9.940
   42   3HB   ALA   6          3HB       ALA   6 -10.250  10.026  11.450
   43    H    ASP   7           H        ASP   7 -11.626   8.044   8.917
   44    HA   ASP   7           HA       ASP   7 -10.256   6.162   7.190
   45   1HB   ASP   7          1HB       ASP   7 -12.499   5.703   6.261
   46   2HB   ASP   7          2HB       ASP   7 -12.508   5.531   8.005
   47    H    GLY   8           H        GLY   8 -10.928   6.502   4.712
   48   1HA   GLY   8          1HA       GLY   8 -11.173   7.836   2.886
   49   2HA   GLY   8          2HA       GLY   8 -11.500   9.212   3.921
   50    H    LEU   9           H        LEU   9  -8.644   7.268   4.631
   51    HA   LEU   9           HA       LEU   9  -6.973   9.532   4.157
   52   1HB   LEU   9          1HB       LEU   9  -6.422   8.288   6.034
   53   2HB   LEU   9          2HB       LEU   9  -6.604   6.752   5.209
   54    HG   LEU   9           HG       LEU   9  -4.229   7.804   5.830
   55   1HD1  LEU   9          3HD1      LEU   9  -4.996   5.593   4.609
   56   2HD1  LEU   9          1HD1      LEU   9  -4.343   6.428   3.179
   57   3HD1  LEU   9          2HD1      LEU   9  -3.297   6.125   4.587
   58   1HD2  LEU   9          2HD2      LEU   9  -4.984   9.700   4.067
   59   2HD2  LEU   9          3HD2      LEU   9  -3.290   9.243   4.367
   60   3HD2  LEU   9          1HD2      LEU   9  -4.159   8.568   2.968
   61    H    LYS  10           H        LYS  10  -6.561  10.139   2.088
   62    HA   LYS  10           HA       LYS  10  -5.851   7.977   0.228
   63   1HB   LYS  10          1HB       LYS  10  -7.133   8.893  -1.367
   64   2HB   LYS  10          2HB       LYS  10  -7.945   9.699  -0.040
   65   1HG   LYS  10          1HG       LYS  10  -5.999  11.504  -0.344
   66   2HG   LYS  10          2HG       LYS  10  -5.873  10.804  -1.946
   67   1HD   LYS  10          1HD       LYS  10  -7.492  12.376  -2.427
   68   2HD   LYS  10          2HD       LYS  10  -8.561  11.103  -1.874
   69   1HE   LYS  10          1HE       LYS  10  -9.187  12.283  -0.022
   70   2HE   LYS  10          2HE       LYS  10  -7.532  12.700   0.376
   71   1HZ   LYS  10          1HZ       LYS  10  -9.178  14.078  -1.679
   72   2HZ   LYS  10          2HZ       LYS  10  -8.814  14.678  -0.210
   73    H    MET  11           H        MET  11  -4.063   8.372  -1.225
   74    HA   MET  11           HA       MET  11  -2.346  10.528  -0.262
   75   1HB   MET  11          1HB       MET  11  -0.424   8.917  -0.822
   76   2HB   MET  11          2HB       MET  11  -1.417   8.414   0.532
   77   1HG   MET  11          1HG       MET  11  -2.553   7.405  -1.967
   78   2HG   MET  11          2HG       MET  11  -0.868   6.939  -1.842
   79   1HE   MET  11          2HE       MET  11   0.132   5.591  -0.522
   80   2HE   MET  11          3HE       MET  11  -0.448   4.662   0.881
   81   3HE   MET  11          1HE       MET  11  -0.866   4.137  -0.767
   82    H    GLU  12           H        GLU  12  -2.063  12.033  -1.846
   83    HA   GLU  12           HA       GLU  12  -2.161  11.047  -4.586
   84   1HB   GLU  12          1HB       GLU  12  -3.883  12.769  -3.819
   85   2HB   GLU  12          2HB       GLU  12  -2.569  13.913  -3.631
   86   1HG   GLU  12          1HG       GLU  12  -2.841  12.439  -6.258
   87   2HG   GLU  12          2HG       GLU  12  -3.939  13.762  -5.920
   88    H    ALA  13           H        ALA  13   0.181  10.365  -4.020
   89    HA   ALA  13           HA       ALA  13   2.004  12.646  -4.090
   90   1HB   ALA  13          1HB       ALA  13   1.994  10.011  -2.889
   91   2HB   ALA  13          2HB       ALA  13   3.412  10.189  -3.949
   92   3HB   ALA  13          3HB       ALA  13   3.131  11.356  -2.635
   93    H    THR  14           H        THR  14   0.380  10.453  -6.153
   94    HA   THR  14           HA       THR  14   2.348  11.013  -8.265
   95    HB   THR  14           HB       THR  14   2.239   8.738  -9.005
   96    HG1  THR  14           HG1      THR  14  -0.030   8.718  -7.145
   97   1HG2  THR  14          2HG2      THR  14   3.017   9.188  -6.356
   98   2HG2  THR  14          3HG2      THR  14   1.803   7.897  -6.195
   99   3HG2  THR  14          1HG2      THR  14   3.227   7.654  -7.235
  100    H    LYS  15           H        LYS  15   1.217  10.404 -10.505
  101    HA   LYS  15           HA       LYS  15  -0.874  12.266 -10.740
  102   1HB   LYS  15          1HB       LYS  15   0.845  11.656 -12.483
  103   2HB   LYS  15          2HB       LYS  15  -0.027  10.160 -12.746
  104   1HG   LYS  15          1HG       LYS  15  -2.103  11.952 -12.899
  105   2HG   LYS  15          2HG       LYS  15  -0.790  12.957 -13.481
  106   1HD   LYS  15          1HD       LYS  15  -0.828  10.208 -14.628
  107   2HD   LYS  15          2HD       LYS  15  -2.225  11.180 -15.043
  108   1HE   LYS  15          1HE       LYS  15   0.065  12.887 -15.313
  109   2HE   LYS  15          2HE       LYS  15   0.484  11.365 -16.076
  110   1HZ   LYS  15          1HZ       LYS  15  -0.955  11.786 -17.743
  111   2HZ   LYS  15          2HZ       LYS  15  -2.176  12.198 -16.747
  112    H    GLN  16           H        GLN  16  -0.823   9.063  -9.563
  113    HA   GLN  16           HA       GLN  16  -3.690   8.889 -10.078
  114   1HB   GLN  16          1HB       GLN  16  -1.812   6.507  -9.783
  115   2HB   GLN  16          2HB       GLN  16  -3.509   6.460 -10.217
  116   1HG   GLN  16          1HG       GLN  16  -1.819   8.196 -11.962
  117   2HG   GLN  16          2HG       GLN  16  -1.442   6.486 -12.039
  118   1HE2  GLN  16          2HE2      GLN  16  -4.741   5.495 -13.163
  119   2HE2  GLN  16          1HE2      GLN  16  -3.523   5.064 -12.009
  120    HA   PRO  17           HA       PRO  17  -3.345   9.017  -5.651
  121   1HB   PRO  17          1HB       PRO  17  -5.817  10.084  -5.180
  122   2HB   PRO  17          2HB       PRO  17  -4.386  11.060  -5.448
  123   1HG   PRO  17          1HG       PRO  17  -6.636  10.522  -7.290
  124   2HG   PRO  17          2HG       PRO  17  -5.438  11.800  -7.363
  125   1HD   PRO  17          1HD       PRO  17  -5.509   9.420  -8.963
  126   2HD   PRO  17          2HD       PRO  17  -4.252  10.640  -8.954
  127    H    VAL  18           H        VAL  18  -4.360   7.966  -3.803
  128    HA   VAL  18           HA       VAL  18  -6.317   5.977  -4.645
  129    HB   VAL  18           HB       VAL  18  -3.652   5.376  -3.352
  130   1HG1  VAL  18          2HG1      VAL  18  -6.173   3.738  -3.567
  131   2HG1  VAL  18          3HG1      VAL  18  -4.576   2.951  -3.541
  132   3HG1  VAL  18          1HG1      VAL  18  -5.090   3.969  -2.174
  133   1HG2  VAL  18          2HG2      VAL  18  -4.751   5.110  -6.078
  134   2HG2  VAL  18          3HG2      VAL  18  -3.062   5.183  -5.519
  135   3HG2  VAL  18          1HG2      VAL  18  -3.956   3.645  -5.452
  136    H    VAL  19           H        VAL  19  -7.554   5.104  -2.843
  137    HA   VAL  19           HA       VAL  19  -7.310   6.795  -0.450
  138    HB   VAL  19           HB       VAL  19  -9.728   5.749  -1.920
  139   1HG1  VAL  19          2HG1      VAL  19  -9.901   5.409   0.579
  140   2HG1  VAL  19          3HG1      VAL  19  -9.770   7.175   0.756
  141   3HG1  VAL  19          1HG1      VAL  19 -11.142   6.469  -0.132
  142   1HG2  VAL  19          2HG2      VAL  19  -8.494   7.977  -2.497
  143   2HG2  VAL  19          3HG2      VAL  19 -10.268   7.968  -2.353
  144   3HG2  VAL  19          1HG2      VAL  19  -9.269   8.584  -1.014
  145    H    PHE  20           H        PHE  20  -6.670   5.686   1.317
  146    HA   PHE  20           HA       PHE  20  -7.165   2.790   1.317
  147   1HB   PHE  20          1HB       PHE  20  -4.791   3.781   1.411
  148   2HB   PHE  20          2HB       PHE  20  -5.239   4.622   2.881
  149    HD1  PHE  20           HD2      PHE  20  -5.255   1.125   1.505
  150    HD2  PHE  20           HD1      PHE  20  -4.640   3.653   4.902
  151    HE1  PHE  20           HE2      PHE  20  -4.539  -0.888   2.883
  152    HE2  PHE  20           HE1      PHE  20  -3.925   1.631   6.268
  153    HZ   PHE  20           HZ       PHE  20  -3.887  -0.645   5.136
  154    H    ASN  21           H        ASN  21  -7.531   1.808   3.530
  155    HA   ASN  21           HA       ASN  21  -8.809   3.681   5.331
  156   1HB   ASN  21          1HB       ASN  21 -10.080   1.153   4.168
  157   2HB   ASN  21          2HB       ASN  21 -10.690   1.922   5.620
  158   1HD2  ASN  21          2HD2      ASN  21 -11.174   3.607   1.883
  159   2HD2  ASN  21          1HD2      ASN  21 -10.045   2.330   2.190
  160    H    HIS  22           H        HIS  22  -8.809   2.876   7.569
  161    HA   HIS  22           HA       HIS  22  -6.961   0.647   7.924
  162   1HB   HIS  22          1HB       HIS  22  -7.625   3.105   9.498
  163   2HB   HIS  22          2HB       HIS  22  -7.065   1.690  10.367
  164    HD1  HIS  22           HD1      HIS  22  -5.926   4.308   7.907
  165    HD2  HIS  22           HD2      HIS  22  -4.346   1.018   9.974
  166    HE1  HIS  22           HE1      HIS  22  -3.393   4.440   7.631
  167    H    SER  23           H        SER  23 -10.292   1.637   8.247
  168    HA   SER  23           HA       SER  23 -10.910  -0.210  10.301
  169   1HB   SER  23          1HB       SER  23 -12.165   1.994   9.200
  170   2HB   SER  23          2HB       SER  23 -13.104   0.687   8.507
  171    HG   SER  23           HG       SER  23 -13.628  -0.075  10.584
  172    H    THR  24           H        THR  24  -9.978  -0.608   7.102
  173    HA   THR  24           HA       THR  24 -11.746  -2.915   6.673
  174    HB   THR  24           HB       THR  24  -9.970  -1.245   4.819
  175    HG1  THR  24           HG1      THR  24 -12.838  -1.780   5.159
  176   1HG2  THR  24          3HG2      THR  24 -10.381  -3.833   4.282
  177   2HG2  THR  24          1HG2      THR  24 -12.026  -3.272   3.901
  178   3HG2  THR  24          2HG2      THR  24 -10.632  -2.611   3.013
  179    H    HIS  25           H        HIS  25  -8.387  -1.907   7.231
  180    HA   HIS  25           HA       HIS  25  -7.581  -4.693   6.898
  181   1HB   HIS  25          1HB       HIS  25  -5.906  -2.177   7.138
  182   2HB   HIS  25          2HB       HIS  25  -5.278  -3.798   6.918
  183    HD1  HIS  25           HD1      HIS  25  -7.408  -1.214   5.088
  184    HD2  HIS  25           HD2      HIS  25  -5.146  -4.655   4.294
  185    HE1  HIS  25           HE1      HIS  25  -7.288  -1.420   2.548
  186    H    LYS  26           H        LYS  26  -9.259  -3.953   9.125
  187    HA   LYS  26           HA       LYS  26  -7.683  -3.434  11.408
  188   1HB   LYS  26          1HB       LYS  26 -10.432  -4.700  11.231
  189   2HB   LYS  26          2HB       LYS  26  -9.710  -3.964  12.648
  190   1HG   LYS  26          1HG       LYS  26  -9.630  -1.766  11.515
  191   2HG   LYS  26          2HG       LYS  26 -10.230  -2.477  10.030
  192   1HD   LYS  26          1HD       LYS  26 -12.196  -1.589  10.967
  193   2HD   LYS  26          2HD       LYS  26 -12.275  -3.261  11.484
  194   1HE   LYS  26          1HE       LYS  26 -10.848  -1.299  13.279
  195   2HE   LYS  26          2HE       LYS  26 -12.598  -1.233  13.222
  196   1HZ   LYS  26          1HZ       LYS  26 -11.763  -2.783  14.934
  197   2HZ   LYS  26          2HZ       LYS  26 -12.678  -3.570  13.841
  198    H    SER  27           H        SER  27  -8.832  -6.410   9.749
  199    HA   SER  27           HA       SER  27  -7.906  -8.108  11.785
  200   1HB   SER  27          1HB       SER  27  -8.162  -9.880   9.937
  201   2HB   SER  27          2HB       SER  27  -9.604  -8.985  10.372
  202    HG   SER  27           HG       SER  27  -7.888  -8.177   8.191
  203    H    VAL  28           H        VAL  28  -6.324  -6.216   9.399
  204    HA   VAL  28           HA       VAL  28  -4.114  -8.054   9.050
  205    HB   VAL  28           HB       VAL  28  -4.486  -5.209   8.095
  206   1HG1  VAL  28          3HG1      VAL  28  -2.142  -6.101   8.128
  207   2HG1  VAL  28          1HG1      VAL  28  -2.668  -7.388   7.017
  208   3HG1  VAL  28          2HG1      VAL  28  -2.742  -5.685   6.505
  209   1HG2  VAL  28          1HG2      VAL  28  -6.010  -7.428   7.369
  210   2HG2  VAL  28          2HG2      VAL  28  -5.836  -5.911   6.455
  211   3HG2  VAL  28          3HG2      VAL  28  -4.787  -7.299   6.082
  212    H    LYS  29           H        LYS  29  -2.059  -7.819   9.962
  213    HA   LYS  29           HA       LYS  29  -2.006  -6.446  12.446
  214   1HB   LYS  29          1HB       LYS  29  -0.559  -8.527  11.151
  215   2HB   LYS  29          2HB       LYS  29   0.603  -7.290  11.587
  216   1HG   LYS  29          1HG       LYS  29   0.534  -8.449  13.596
  217   2HG   LYS  29          2HG       LYS  29  -0.747  -7.292  13.902
  218   1HD   LYS  29          1HD       LYS  29  -1.597  -9.785  12.488
  219   2HD   LYS  29          2HD       LYS  29  -1.044 -10.015  14.134
  220   1HE   LYS  29          1HE       LYS  29  -2.904  -9.024  15.018
  221   2HE   LYS  29          2HE       LYS  29  -2.826  -7.678  13.898
  222   1HZ   LYS  29          1HZ       LYS  29  -3.662 -10.243  12.779
  223   2HZ   LYS  29          2HZ       LYS  29  -4.732  -9.505  13.760
  224    H    CYS  30           H        CYS  30  -0.955  -4.545  13.039
  225    HA   CYS  30           HA       CYS  30  -0.753  -2.594  11.064
  226   1HB   CYS  30          1HB       CYS  30   0.598  -2.415  13.749
  227   2HB   CYS  30          2HB       CYS  30  -0.067  -1.122  12.770
  228    H    GLY  31           H        GLY  31   1.488  -4.992  12.394
  229   1HA   GLY  31          1HA       GLY  31   3.871  -3.690  11.408
  230   2HA   GLY  31          2HA       GLY  31   3.738  -5.270  12.153
  231    H    ASP  32           H        ASP  32   1.294  -5.213   9.870
  232    HA   ASP  32           HA       ASP  32   2.836  -6.857   8.134
  233   1HB   ASP  32          1HB       ASP  32   0.402  -7.247   8.800
  234   2HB   ASP  32          2HB       ASP  32  -0.034  -5.865   7.816
  235    H    CYS  33           H        CYS  33   1.468  -3.561   8.257
  236    HA   CYS  33           HA       CYS  33   2.314  -3.120   5.494
  237   1HB   CYS  33          1HB       CYS  33   0.177  -1.942   7.207
  238   2HB   CYS  33          2HB       CYS  33   0.983  -0.852   6.097
  239    H    HIS  34           H        HIS  34   2.273  -1.577   8.795
  240    HA   HIS  34           HA       HIS  34   4.356   0.221   8.070
  241   1HB   HIS  34          1HB       HIS  34   3.139  -0.449  10.765
  242   2HB   HIS  34          2HB       HIS  34   4.253   0.870  10.462
  243    HD1  HIS  34           HD1      HIS  34   3.356   2.876   8.942
  244    HD2  HIS  34           HD2      HIS  34   0.479   0.047  10.090
  245    HE1  HIS  34           HE1      HIS  34   1.083   3.948   8.500
  246    H    HIS  35           H        HIS  35   5.514  -1.985   7.272
  247    HA   HIS  35           HA       HIS  35   6.649  -3.766   8.908
  248   1HB   HIS  35          1HB       HIS  35   8.450  -3.962   7.302
  249   2HB   HIS  35          2HB       HIS  35   6.922  -3.720   6.478
  250    HD1  HIS  35           HD1      HIS  35   9.997  -1.695   7.524
  251    HD2  HIS  35           HD2      HIS  35   6.912  -1.640   4.682
  252    HE1  HIS  35           HE1      HIS  35  10.539   0.212   5.918
  253    HA   PRO  36           HA       PRO  36   9.275  -1.644  11.612
  254   1HB   PRO  36          1HB       PRO  36  10.982  -3.639  12.369
  255   2HB   PRO  36          2HB       PRO  36   9.376  -3.445  13.043
  256   1HG   PRO  36          1HG       PRO  36  10.333  -5.435  11.077
  257   2HG   PRO  36          2HG       PRO  36   8.888  -5.478  12.068
  258   1HD   PRO  36          1HD       PRO  36   9.033  -4.850   9.273
  259   2HD   PRO  36          2HD       PRO  36   7.608  -4.781  10.290
  260    H    VAL  37           H        VAL  37  10.512  -0.001  10.972
  261    HA   VAL  37           HA       VAL  37  12.536  -0.625   9.001
  262    HB   VAL  37           HB       VAL  37  11.398   1.883  10.212
  263   1HG1  VAL  37          1HG1      VAL  37  13.850   1.642   8.440
  264   2HG1  VAL  37          2HG1      VAL  37  12.944   3.154   8.692
  265   3HG1  VAL  37          3HG1      VAL  37  13.749   2.359  10.066
  266   1HG2  VAL  37          3HG2      VAL  37  10.306   0.550   8.286
  267   2HG2  VAL  37          1HG2      VAL  37  10.517   2.305   8.081
  268   3HG2  VAL  37          2HG2      VAL  37  11.639   1.174   7.287
  269    H    ASN  38           H        ASN  38  12.473   1.169  12.168
  270    HA   ASN  38           HA       ASN  38  15.257   0.438  12.457
  271   1HB   ASN  38          1HB       ASN  38  13.772   2.777  13.052
  272   2HB   ASN  38          2HB       ASN  38  14.086   2.067  14.623
  273   1HD2  ASN  38          2HD2      ASN  38  16.908   4.178  12.776
  274   2HD2  ASN  38          1HD2      ASN  38  15.207   4.190  12.448
  275    H    GLY  39           H        GLY  39  13.182  -1.614  12.749
  276   1HA   GLY  39          1HA       GLY  39  12.886  -3.381  14.142
  277   2HA   GLY  39          2HA       GLY  39  13.833  -2.578  15.378
  278    H    LYS  40           H        LYS  40  11.611  -0.285  14.342
  279    HA   LYS  40           HA       LYS  40   9.637  -1.171  16.330
  280   1HB   LYS  40          1HB       LYS  40  10.631   0.544  17.488
  281   2HB   LYS  40          2HB       LYS  40  11.089   1.423  16.043
  282   1HG   LYS  40          1HG       LYS  40   8.717   2.060  15.651
  283   2HG   LYS  40          2HG       LYS  40   8.218   1.130  17.050
  284   1HD   LYS  40          1HD       LYS  40   9.184   2.642  18.580
  285   2HD   LYS  40          2HD       LYS  40  10.340   3.252  17.413
  286   1HE   LYS  40          1HE       LYS  40   8.514   4.900  17.906
  287   2HE   LYS  40          2HE       LYS  40   8.587   4.470  16.209
  288   1HZ   LYS  40          1HZ       LYS  40   6.825   2.861  17.903
  289   2HZ   LYS  40          2HZ       LYS  40   6.327   4.371  17.555
  290    H    GLU  41           H        GLU  41   7.448  -0.838  15.823
  291    HA   GLU  41           HA       GLU  41   7.037  -0.386  13.002
  292   1HB   GLU  41          1HB       GLU  41   5.470  -1.692  15.221
  293   2HB   GLU  41          2HB       GLU  41   4.588  -1.093  13.830
  294   1HG   GLU  41          1HG       GLU  41   5.100  -3.102  12.875
  295   2HG   GLU  41          2HG       GLU  41   6.681  -2.401  12.589
  296    H    ASP  42           H        ASP  42   7.407   1.952  13.045
  297    HA   ASP  42           HA       ASP  42   5.722   3.526  14.703
  298   1HB   ASP  42          1HB       ASP  42   7.998   4.271  14.047
  299   2HB   ASP  42          2HB       ASP  42   7.541   4.245  12.355
  300    H    TYR  43           H        TYR  43   3.835   4.689  14.014
  301    HA   TYR  43           HA       TYR  43   2.689   3.750  11.514
  302   1HB   TYR  43          1HB       TYR  43   1.731   5.473  13.884
  303   2HB   TYR  43          2HB       TYR  43   0.680   4.969  12.576
  304    HD1  TYR  43           HD1      TYR  43   2.692   2.229  12.866
  305    HD2  TYR  43           HD2      TYR  43  -0.299   4.300  15.117
  306    HE1  TYR  43           HE1      TYR  43   2.149   0.089  14.128
  307    HE2  TYR  43           HE2      TYR  43  -0.832   2.154  16.371
  308    HH   TYR  43           HH       TYR  43   0.980  -0.213  16.738
  309    H    ARG  44           H        ARG  44   4.113   4.973  10.061
  310    HA   ARG  44           HA       ARG  44   3.358   7.786  10.049
  311   1HB   ARG  44          1HB       ARG  44   5.979   6.598  10.119
  312   2HB   ARG  44          2HB       ARG  44   5.790   7.313   8.530
  313   1HG   ARG  44          1HG       ARG  44   5.349   9.496   9.437
  314   2HG   ARG  44          2HG       ARG  44   5.046   8.860  11.042
  315   1HD   ARG  44          1HD       ARG  44   7.356   8.433  11.452
  316   2HD   ARG  44          2HD       ARG  44   7.764   8.461   9.748
  317    HE   ARG  44           HE       ARG  44   6.718  11.021  10.386
  318   1HH1  ARG  44          2HH2      ARG  44   9.531   9.039  11.232
  319   2HH1  ARG  44          1HH2      ARG  44  10.553  10.402  11.545
  320    HH2  ARG  44           HH1      ARG  44   9.671  12.615  11.284
  321    H    LYS  45           H        LYS  45   3.833   8.711   7.638
  322    HA   LYS  45           HA       LYS  45   2.198   7.100   5.923
  323   1HB   LYS  45          1HB       LYS  45   3.517   9.801   5.523
  324   2HB   LYS  45          2HB       LYS  45   2.416   9.050   4.386
  325   1HG   LYS  45          1HG       LYS  45   0.870  10.286   5.583
  326   2HG   LYS  45          2HG       LYS  45   0.857   8.839   6.570
  327   1HD   LYS  45          1HD       LYS  45   1.671   9.973   8.359
  328   2HD   LYS  45          2HD       LYS  45   3.043  10.547   7.433
  329   1HE   LYS  45          1HE       LYS  45   1.339  12.266   6.394
  330   2HE   LYS  45          2HE       LYS  45   0.318  11.850   7.756
  331   1HZ   LYS  45          1HZ       LYS  45   1.716  12.904   9.197
  332   2HZ   LYS  45          2HZ       LYS  45   3.081  12.466   8.425
  333    H    CYS  46           H        CYS  46   2.823   5.815   4.235
  334    HA   CYS  46           HA       CYS  46   5.419   4.890   4.141
  335   1HB   CYS  46          1HB       CYS  46   3.604   4.759   1.752
  336   2HB   CYS  46          2HB       CYS  46   4.766   3.579   2.325
  337    H    GLY  47           H        GLY  47   3.651   7.301   2.086
  338   1HA   GLY  47          1HA       GLY  47   5.952   7.868   0.463
  339   2HA   GLY  47          2HA       GLY  47   4.407   8.694   0.463
  340    H    THR  48           H        THR  48   6.923   8.125   3.031
  341    HA   THR  48           HA       THR  48   6.735  10.970   3.691
  342    HB   THR  48           HB       THR  48   7.519   8.412   5.105
  343    HG1  THR  48           HG1      THR  48   6.195   9.804   6.700
  344   1HG2  THR  48          3HG2      THR  48   9.403  10.172   5.436
  345   2HG2  THR  48          1HG2      THR  48   8.158  11.193   6.193
  346   3HG2  THR  48          2HG2      THR  48   8.574   9.619   6.911
  347    H    ALA  49           H        ALA  49   8.318  12.423   3.329
  348    HA   ALA  49           HA       ALA  49  10.299  11.882   1.487
  349   1HB   ALA  49          2HB       ALA  49   9.396  14.077   3.158
  350   2HB   ALA  49          3HB       ALA  49  11.174  14.046   3.084
  351   3HB   ALA  49          1HB       ALA  49  10.222  14.126   1.582
  352    H    GLY  50           H        GLY  50  11.890  10.382   1.707
  353   1HA   GLY  50          1HA       GLY  50  14.102  10.146   2.710
  354   2HA   GLY  50          2HA       GLY  50  13.353  10.356   4.280
  355    H    CYS  51           H        CYS  51  10.942   8.726   2.910
  356    HA   CYS  51           HA       CYS  51  12.109   6.148   3.642
  357   1HB   CYS  51          1HB       CYS  51   9.239   7.126   3.681
  358   2HB   CYS  51          2HB       CYS  51   9.688   5.449   3.917
  359    H    HIS  52           H        HIS  52   9.095   6.729   1.789
  360    HA   HIS  52           HA       HIS  52  10.377   5.393  -0.478
  361   1HB   HIS  52          1HB       HIS  52   7.499   5.406   0.460
  362   2HB   HIS  52          2HB       HIS  52   8.003   4.775  -1.095
  363    HD1  HIS  52           HD1      HIS  52   9.930   2.771  -0.904
  364    HD2  HIS  52           HD2      HIS  52   7.580   3.560   2.480
  365    HE1  HIS  52           HE1      HIS  52  10.123   0.716   0.596
  366    H    ASP  53           H        ASP  53  11.245   7.648  -0.941
  367    HA   ASP  53           HA       ASP  53   9.214   9.047  -2.485
  368   1HB   ASP  53          1HB       ASP  53  10.100  10.124  -0.202
  369   2HB   ASP  53          2HB       ASP  53  11.492  10.551  -1.178
  370    H    SER  54           H        SER  54  10.262   7.631  -4.219
  371    HA   SER  54           HA       SER  54  12.917   8.604  -4.914
  372   1HB   SER  54          1HB       SER  54  12.484   6.090  -4.548
  373   2HB   SER  54          2HB       SER  54  11.533   6.128  -6.019
  374    HG   SER  54           HG       SER  54  14.321   6.892  -5.800
  375    H    MET  55           H        MET  55   9.525   8.418  -5.845
  376    HA   MET  55           HA       MET  55   8.396   9.095  -7.583
  377   1HB   MET  55          1HB       MET  55  10.472  11.126  -7.029
  378   2HB   MET  55          2HB       MET  55   9.951  11.198  -8.701
  379   1HG   MET  55          1HG       MET  55   8.356  12.592  -7.717
  380   2HG   MET  55          2HG       MET  55   7.506  11.061  -7.645
  381   1HE   MET  55          3HE       MET  55   6.906   9.873  -6.031
  382   2HE   MET  55          1HE       MET  55   8.035   9.485  -4.711
  383   3HE   MET  55          2HE       MET  55   6.601  10.489  -4.390
  384    H    ASP  56           H        ASP  56  10.266   6.929  -8.130
  385    HA   ASP  56           HA       ASP  56  10.722   7.501 -10.951
  386   1HB   ASP  56          1HB       ASP  56  12.516   6.275  -8.882
  387   2HB   ASP  56          2HB       ASP  56  12.523   5.500 -10.455
  388    H    LYS  57           H        LYS  57   8.386   6.546 -10.885
  389    HA   LYS  57           HA       LYS  57   7.638   4.133  -9.994
  390   1HB   LYS  57          1HB       LYS  57   6.008   5.430 -11.043
  391   2HB   LYS  57          2HB       LYS  57   6.957   5.652 -12.498
  392   1HG   LYS  57          1HG       LYS  57   6.385   2.804 -11.904
  393   2HG   LYS  57          2HG       LYS  57   4.937   3.760 -12.156
  394   1HD   LYS  57          1HD       LYS  57   6.699   4.621 -14.193
  395   2HD   LYS  57          2HD       LYS  57   6.952   2.889 -14.110
  396   1HE   LYS  57          1HE       LYS  57   4.444   2.558 -14.250
  397   2HE   LYS  57          2HE       LYS  57   4.257   4.289 -14.448
  398   1HZ   LYS  57          1HZ       LYS  57   4.912   2.407 -16.426
  399   2HZ   LYS  57          2HZ       LYS  57   4.688   4.009 -16.619
  400    H    LYS  58           H        LYS  58   9.376   4.736 -13.123
  401    HA   LYS  58           HA       LYS  58   9.667   1.919 -13.555
  402   1HB   LYS  58          1HB       LYS  58  10.819   2.572 -15.580
  403   2HB   LYS  58          2HB       LYS  58   9.346   3.504 -15.409
  404   1HG   LYS  58          1HG       LYS  58  11.143   5.134 -14.089
  405   2HG   LYS  58          2HG       LYS  58  12.185   4.409 -15.297
  406   1HD   LYS  58          1HD       LYS  58  10.113   4.999 -16.919
  407   2HD   LYS  58          2HD       LYS  58   9.788   6.196 -15.681
  408   1HE   LYS  58          1HE       LYS  58  11.244   7.451 -16.966
  409   2HE   LYS  58          2HE       LYS  58  12.435   6.661 -15.953
  410   1HZ   LYS  58          1HZ       LYS  58  12.916   5.113 -17.656
  411   2HZ   LYS  58          2HZ       LYS  58  11.568   5.444 -18.509
  412    H    ASP  59           H        ASP  59  10.602   1.864 -11.179
  413    HA   ASP  59           HA       ASP  59  13.319   1.301 -11.500
  414   1HB   ASP  59          1HB       ASP  59  13.403   3.825 -11.246
  415   2HB   ASP  59          2HB       ASP  59  12.654   3.656  -9.670
  416    H    LYS  60           H        LYS  60  12.579  -0.720 -10.574
  417    HA   LYS  60           HA       LYS  60  11.248  -0.622  -8.005
  418   1HB   LYS  60          1HB       LYS  60  10.854  -2.949  -8.312
  419   2HB   LYS  60          2HB       LYS  60  10.534  -2.164  -9.845
  420   1HG   LYS  60          1HG       LYS  60  13.356  -2.946  -9.637
  421   2HG   LYS  60          2HG       LYS  60  12.303  -4.324  -9.383
  422   1HD   LYS  60          1HD       LYS  60  11.027  -3.324 -11.523
  423   2HD   LYS  60          2HD       LYS  60  12.580  -2.571 -11.826
  424   1HE   LYS  60          1HE       LYS  60  13.595  -4.957 -11.463
  425   2HE   LYS  60          2HE       LYS  60  11.951  -5.542 -11.629
  426   1HZ   LYS  60          1HZ       LYS  60  11.882  -4.317 -13.803
  427   2HZ   LYS  60          2HZ       LYS  60  13.472  -3.999 -13.657
  428    H    SER  61           H        SER  61  12.111  -1.458  -6.053
  429    HA   SER  61           HA       SER  61  14.482  -2.752  -5.799
  430   1HB   SER  61          1HB       SER  61  14.942  -0.023  -6.522
  431   2HB   SER  61          2HB       SER  61  15.363  -0.163  -4.827
  432    HG   SER  61           HG       SER  61  16.541  -2.243  -5.659
  433    H    ALA  62           H        ALA  62  13.186   0.293  -4.266
  434    HA   ALA  62           HA       ALA  62  11.824  -1.023  -2.221
  435   1HB   ALA  62          2HB       ALA  62  14.363  -1.518  -1.732
  436   2HB   ALA  62          3HB       ALA  62  14.383   0.166  -1.154
  437   3HB   ALA  62          1HB       ALA  62  13.288  -1.020  -0.403
  438    H    LYS  63           H        LYS  63  13.872   1.824  -3.102
  439    HA   LYS  63           HA       LYS  63  12.310   3.627  -1.569
  440   1HB   LYS  63          1HB       LYS  63  13.646   5.348  -2.678
  441   2HB   LYS  63          2HB       LYS  63  14.655   4.055  -2.061
  442   1HG   LYS  63          1HG       LYS  63  14.138   3.114  -4.597
  443   2HG   LYS  63          2HG       LYS  63  14.095   4.841  -4.887
  444   1HD   LYS  63          1HD       LYS  63  16.382   4.214  -5.207
  445   2HD   LYS  63          2HD       LYS  63  16.339   4.996  -3.640
  446   1HE   LYS  63          1HE       LYS  63  15.997   2.597  -2.657
  447   2HE   LYS  63          2HE       LYS  63  16.493   2.015  -4.234
  448   1HZ   LYS  63          1HZ       LYS  63  18.329   3.979  -3.444
  449   2HZ   LYS  63          2HZ       LYS  63  18.143   2.976  -2.174
  450    H    GLY  64           H        GLY  64  11.622   1.843  -4.348
  451   1HA   GLY  64          1HA       GLY  64  10.230   3.825  -5.869
  452   2HA   GLY  64          2HA       GLY  64  10.167   2.084  -6.064
  453    H    TYR  65           H        TYR  65   8.744   4.908  -4.452
  454    HA   TYR  65           HA       TYR  65   7.062   3.737  -2.640
  455   1HB   TYR  65          1HB       TYR  65   7.344   6.178  -2.972
  456   2HB   TYR  65          2HB       TYR  65   6.805   6.063  -4.635
  457    HD1  TYR  65           HD1      TYR  65   5.579   5.475  -1.142
  458    HD2  TYR  65           HD2      TYR  65   4.584   6.559  -5.159
  459    HE1  TYR  65           HE1      TYR  65   3.202   6.012  -0.416
  460    HE2  TYR  65           HE2      TYR  65   2.211   7.093  -4.420
  461    HH   TYR  65           HH       TYR  65   0.874   7.358  -2.724
  462    H    TYR  66           H        TYR  66   6.629   4.116  -6.204
  463    HA   TYR  66           HA       TYR  66   3.992   2.997  -6.121
  464   1HB   TYR  66          1HB       TYR  66   4.481   4.541  -7.905
  465   2HB   TYR  66          2HB       TYR  66   6.104   3.914  -8.118
  466    HD1  TYR  66           HD1      TYR  66   6.381   1.608  -9.209
  467    HD2  TYR  66           HD2      TYR  66   2.700   3.787  -9.266
  468    HE1  TYR  66           HE1      TYR  66   5.575   0.207 -11.171
  469    HE2  TYR  66           HE2      TYR  66   1.905   2.378 -11.228
  470    HH   TYR  66           HH       TYR  66   3.956   0.521 -13.059
  471    H    HIS  67           H        HIS  67   6.983   1.622  -5.590
  472    HA   HIS  67           HA       HIS  67   6.359  -0.784  -7.112
  473   1HB   HIS  67          1HB       HIS  67   8.551  -0.452  -7.549
  474   2HB   HIS  67          2HB       HIS  67   8.821   0.491  -6.097
  475    HD1  HIS  67           HD1      HIS  67   9.086  -2.964  -7.471
  476    HD2  HIS  67           HD2      HIS  67   9.428  -1.063  -3.747
  477    HE1  HIS  67           HE1      HIS  67  10.218  -4.640  -5.914
  478    H    VAL  68           H        VAL  68   6.404   0.618  -3.879
  479    HA   VAL  68           HA       VAL  68   6.167  -2.001  -2.645
  480    HB   VAL  68           HB       VAL  68   5.980  -0.494  -0.568
  481   1HG1  VAL  68          1HG1      VAL  68   8.015  -1.800  -1.505
  482   2HG1  VAL  68          2HG1      VAL  68   8.608  -0.203  -2.020
  483   3HG1  VAL  68          3HG1      VAL  68   8.302  -0.525  -0.297
  484   1HG2  VAL  68          2HG2      VAL  68   5.478   1.562  -2.008
  485   2HG2  VAL  68          3HG2      VAL  68   6.678   1.759  -0.709
  486   3HG2  VAL  68          1HG2      VAL  68   7.215   1.577  -2.395
  487    H    MET  69           H        MET  69   4.158  -0.305  -4.506
  488    HA   MET  69           HA       MET  69   1.893  -0.760  -2.720
  489   1HB   MET  69          1HB       MET  69   2.140   1.189  -5.079
  490   2HB   MET  69          2HB       MET  69   0.729   1.025  -4.053
  491   1HG   MET  69          1HG       MET  69   3.435   1.671  -2.831
  492   2HG   MET  69          2HG       MET  69   2.465   2.944  -3.545
  493   1HE   MET  69          2HE       MET  69   3.561   2.698  -0.804
  494   2HE   MET  69          3HE       MET  69   2.328   2.748   0.479
  495   3HE   MET  69          1HE       MET  69   3.009   1.188  -0.042
  496    H    HIS  70           H        HIS  70   3.552  -1.748  -5.551
  497    HA   HIS  70           HA       HIS  70   1.178  -3.235  -6.378
  498   1HB   HIS  70          1HB       HIS  70   3.144  -2.060  -8.351
  499   2HB   HIS  70          2HB       HIS  70   1.624  -2.861  -8.695
  500    HD1  HIS  70           HD1      HIS  70   2.942   0.359  -7.124
  501    HD2  HIS  70           HD2      HIS  70  -0.578  -1.196  -8.795
  502    HE1  HIS  70           HE1      HIS  70   1.317   2.317  -7.318
  503    H    ASP  71           H        ASP  71   4.742  -2.899  -7.045
  504    HA   ASP  71           HA       ASP  71   5.338  -5.312  -7.872
  505   1HB   ASP  71          1HB       ASP  71   6.806  -3.242  -6.948
  506   2HB   ASP  71          2HB       ASP  71   7.014  -4.309  -5.573
  507    H    LYS  72           H        LYS  72   5.346  -7.450  -7.065
  508    HA   LYS  72           HA       LYS  72   4.436  -7.753  -4.299
  509   1HB   LYS  72          1HB       LYS  72   4.362  -9.834  -6.494
  510   2HB   LYS  72          2HB       LYS  72   3.528  -9.864  -4.954
  511   1HG   LYS  72          1HG       LYS  72   1.760  -8.847  -5.942
  512   2HG   LYS  72          2HG       LYS  72   2.747  -7.413  -6.152
  513   1HD   LYS  72          1HD       LYS  72   1.953  -7.990  -8.346
  514   2HD   LYS  72          2HD       LYS  72   3.643  -8.453  -8.312
  515   1HE   LYS  72          1HE       LYS  72   2.245 -10.727  -7.342
  516   2HE   LYS  72          2HE       LYS  72   1.275 -10.138  -8.677
  517   1HZ   LYS  72          1HZ       LYS  72   3.439 -10.066  -9.975
  518   2HZ   LYS  72          2HZ       LYS  72   4.134 -10.907  -8.766
  519    H    ASN  73           H        ASN  73   7.072  -8.353  -6.569
  520    HA   ASN  73           HA       ASN  73   8.300 -10.322  -4.963
  521   1HB   ASN  73          1HB       ASN  73   9.448  -8.522  -7.163
  522   2HB   ASN  73          2HB       ASN  73  10.274  -9.914  -6.490
  523   1HD2  ASN  73          2HD2      ASN  73   8.551 -10.835  -9.680
  524   2HD2  ASN  73          1HD2      ASN  73   9.691  -9.629  -9.185
  525    H    THR  74           H        THR  74   7.864  -8.641  -3.002
  526    HA   THR  74           HA       THR  74  10.326  -7.053  -2.697
  527    HB   THR  74           HB       THR  74   8.877  -5.462  -1.366
  528    HG1  THR  74           HG1      THR  74   6.793  -6.160  -1.032
  529   1HG2  THR  74          2HG2      THR  74   8.910  -5.750  -4.203
  530   2HG2  THR  74          3HG2      THR  74   7.200  -5.521  -3.762
  531   3HG2  THR  74          1HG2      THR  74   8.413  -4.308  -3.285
  532    H    LYS  75           H        LYS  75  11.090  -6.807  -0.470
  533    HA   LYS  75           HA       LYS  75  11.107  -9.303   0.821
  534   1HB   LYS  75          1HB       LYS  75  13.015  -7.816   0.888
  535   2HB   LYS  75          2HB       LYS  75  12.080  -6.565   1.681
  536   1HG   LYS  75          1HG       LYS  75  11.889  -7.826   3.711
  537   2HG   LYS  75          2HG       LYS  75  12.346  -9.325   2.927
  538   1HD   LYS  75          1HD       LYS  75  14.636  -8.734   2.816
  539   2HD   LYS  75          2HD       LYS  75  14.305  -7.017   2.936
  540   1HE   LYS  75          1HE       LYS  75  14.465  -7.071   5.202
  541   2HE   LYS  75          2HE       LYS  75  13.285  -8.363   5.310
  542   1HZ   LYS  75          1HZ       LYS  75  15.697  -9.435   4.324
  543   2HZ   LYS  75          2HZ       LYS  75  16.048  -8.575   5.662
  544    H    PHE  76           H        PHE  76   9.001  -6.495   0.994
  545    HA   PHE  76           HA       PHE  76   7.705  -7.703   3.346
  546   1HB   PHE  76          1HB       PHE  76   7.912  -4.829   2.250
  547   2HB   PHE  76          2HB       PHE  76   6.890  -5.255   3.609
  548    HD1  PHE  76           HD2      PHE  76   8.172  -6.541   5.583
  549    HD2  PHE  76           HD1      PHE  76  10.034  -3.995   2.693
  550    HE1  PHE  76           HE2      PHE  76  10.129  -6.167   7.162
  551    HE2  PHE  76           HE1      PHE  76  11.984  -3.629   4.282
  552    HZ   PHE  76           HZ       PHE  76  11.948  -4.803   6.536
  553    H    LYS  77           H        LYS  77   5.329  -7.506   3.426
  554    HA   LYS  77           HA       LYS  77   4.174  -8.255   0.983
  555   1HB   LYS  77          1HB       LYS  77   3.211  -7.713   3.762
  556   2HB   LYS  77          2HB       LYS  77   2.021  -7.761   2.477
  557   1HG   LYS  77          1HG       LYS  77   3.561  -9.986   1.872
  558   2HG   LYS  77          2HG       LYS  77   3.658  -9.966   3.622
  559   1HD   LYS  77          1HD       LYS  77   1.518 -10.696   3.826
  560   2HD   LYS  77          2HD       LYS  77   0.919  -9.416   2.791
  561   1HE   LYS  77          1HE       LYS  77   1.468 -10.732   0.771
  562   2HE   LYS  77          2HE       LYS  77   2.207 -11.984   1.750
  563   1HZ   LYS  77          1HZ       LYS  77   0.068 -12.792   1.453
  564   2HZ   LYS  77          2HZ       LYS  77  -0.134 -12.028   2.877
  565    H    SER  78           H        SER  78   3.378  -7.075  -0.679
  566    HA   SER  78           HA       SER  78   3.279  -4.211  -0.246
  567   1HB   SER  78          1HB       SER  78   3.608  -3.953  -2.578
  568   2HB   SER  78          2HB       SER  78   4.622  -5.318  -2.156
  569    HG   SER  78           HG       SER  78   3.495  -5.978  -3.968
  570    H    CYS  79           H        CYS  79   1.429  -2.975  -1.256
  571    HA   CYS  79           HA       CYS  79  -0.976  -3.719  -0.340
  572   1HB   CYS  79          1HB       CYS  79  -0.547  -2.158  -2.895
  573   2HB   CYS  79          2HB       CYS  79  -1.974  -2.126  -1.877
  574    H    VAL  80           H        VAL  80  -0.053  -3.953  -3.862
  575    HA   VAL  80           HA       VAL  80  -2.181  -5.666  -4.490
  576    HB   VAL  80           HB       VAL  80   0.447  -5.095  -5.872
  577   1HG1  VAL  80          1HG1      VAL  80  -1.678  -6.998  -6.506
  578   2HG1  VAL  80          2HG1      VAL  80  -1.411  -5.818  -7.812
  579   3HG1  VAL  80          3HG1      VAL  80  -0.058  -6.812  -7.219
  580   1HG2  VAL  80          1HG2      VAL  80  -1.242  -3.203  -5.417
  581   2HG2  VAL  80          2HG2      VAL  80  -0.669  -3.422  -7.088
  582   3HG2  VAL  80          3HG2      VAL  80  -2.277  -4.019  -6.614
  583    H    GLY  81           H        GLY  81   1.168  -6.200  -3.358
  584   1HA   GLY  81          1HA       GLY  81   1.521  -8.863  -3.963
  585   2HA   GLY  81          2HA       GLY  81   2.173  -8.045  -2.557
  586    H    CYS  82           H        CYS  82   0.229  -7.522  -0.830
  587    HA   CYS  82           HA       CYS  82  -0.496 -10.031   0.145
  588   1HB   CYS  82          1HB       CYS  82  -0.125  -8.049   1.573
  589   2HB   CYS  82          2HB       CYS  82  -1.568  -7.298   0.922
  590    H    HIS  83           H        HIS  83  -2.293  -7.409  -1.592
  591    HA   HIS  83           HA       HIS  83  -4.810  -8.476  -1.454
  592   1HB   HIS  83          1HB       HIS  83  -3.393  -6.730  -3.448
  593   2HB   HIS  83          2HB       HIS  83  -5.026  -7.275  -3.777
  594    HD1  HIS  83           HD1      HIS  83  -5.939  -4.835  -3.572
  595    HD2  HIS  83           HD2      HIS  83  -4.156  -6.319  -0.077
  596    HE1  HIS  83           HE1      HIS  83  -6.585  -3.225  -1.700
  597    H    VAL  84           H        VAL  84  -2.132  -9.195  -3.763
  598    HA   VAL  84           HA       VAL  84  -3.567 -10.828  -5.477
  599    HB   VAL  84           HB       VAL  84  -0.671 -10.780  -4.628
  600   1HG1  VAL  84          1HG1      VAL  84  -2.041 -12.836  -6.090
  601   2HG1  VAL  84          2HG1      VAL  84  -0.941 -11.975  -7.193
  602   3HG1  VAL  84          3HG1      VAL  84  -0.310 -12.703  -5.696
  603   1HG2  VAL  84          2HG2      VAL  84  -2.140  -8.990  -6.132
  604   2HG2  VAL  84          3HG2      VAL  84  -0.371  -9.185  -6.181
  605   3HG2  VAL  84          1HG2      VAL  84  -1.392 -10.024  -7.373
  606    H    GLU  85           H        GLU  85  -2.066 -11.466  -2.284
  607    HA   GLU  85           HA       GLU  85  -2.479 -14.254  -2.478
  608   1HB   GLU  85          1HB       GLU  85  -1.404 -12.328  -0.504
  609   2HB   GLU  85          2HB       GLU  85  -2.222 -13.690   0.235
  610   1HG   GLU  85          1HG       GLU  85  -0.596 -14.685  -1.944
  611   2HG   GLU  85          2HG       GLU  85   0.395 -13.627  -0.958
  612    H    VAL  86           H        VAL  86  -4.326 -11.448  -1.287
  613    HA   VAL  86           HA       VAL  86  -6.229 -13.019   0.139
  614    HB   VAL  86           HB       VAL  86  -6.267 -10.162  -0.853
  615   1HG1  VAL  86          1HG1      VAL  86  -8.210 -11.771   0.761
  616   2HG1  VAL  86          2HG1      VAL  86  -7.954 -10.064   1.193
  617   3HG1  VAL  86          3HG1      VAL  86  -8.503 -10.495  -0.444
  618   1HG2  VAL  86          2HG2      VAL  86  -4.808 -11.435   1.256
  619   2HG2  VAL  86          3HG2      VAL  86  -4.855  -9.712   0.811
  620   3HG2  VAL  86          1HG2      VAL  86  -6.029 -10.361   1.980
  621    H    ALA  87           H        ALA  87  -6.185 -11.290  -3.051
  622    HA   ALA  87           HA       ALA  87  -8.753 -12.278  -3.764
  623   1HB   ALA  87          1HB       ALA  87  -6.494 -10.942  -5.300
  624   2HB   ALA  87          2HB       ALA  87  -8.071 -11.347  -6.020
  625   3HB   ALA  87          3HB       ALA  87  -7.979 -10.186  -4.674
  626    H    GLY  88           H        GLY  88  -5.649 -13.701  -3.527
  627   1HA   GLY  88          1HA       GLY  88  -5.167 -15.274  -5.619
  628   2HA   GLY  88          2HA       GLY  88  -5.070 -15.857  -3.970
  629    H    ALA  89           H        ALA  89  -6.396 -16.509  -6.963
  630    HA   ALA  89           HA       ALA  89  -8.211 -17.593  -7.705
  631   1HB   ALA  89          1HB       ALA  89  -7.341 -19.199  -5.274
  632   2HB   ALA  89          2HB       ALA  89  -8.509 -19.798  -6.477
  633   3HB   ALA  89          3HB       ALA  89  -6.840 -19.424  -6.968
  634    H    ASP  90           H        ASP  90  -9.884 -16.040  -7.476
  635    HA   ASP  90           HA       ASP  90 -11.880 -16.846  -5.649
  636   1HB   ASP  90          1HB       ASP  90 -10.228 -15.183  -4.406
  637   2HB   ASP  90          2HB       ASP  90 -11.020 -13.951  -5.369
  638    H    ALA  91           H        ALA  91 -10.519 -14.293  -7.826
  639    HA   ALA  91           HA       ALA  91 -11.352 -13.348  -9.658
  640   1HB   ALA  91          3HB       ALA  91 -12.930 -15.714  -9.396
  641   2HB   ALA  91          1HB       ALA  91 -14.031 -14.383  -9.825
  642   3HB   ALA  91          2HB       ALA  91 -12.630 -14.747 -10.861
  643    H    ALA  92           H        ALA  92 -12.483 -11.402 -10.066
  644    HA   ALA  92           HA       ALA  92 -13.911  -9.717  -9.671
  645   1HB   ALA  92          1HB       ALA  92 -15.286 -11.734  -8.475
  646   2HB   ALA  92          2HB       ALA  92 -14.929 -10.718  -7.057
  647   3HB   ALA  92          3HB       ALA  92 -15.811 -10.033  -8.443
  648    H    LYS  93           H        LYS  93 -12.372 -11.156  -6.722
  649    HA   LYS  93           HA       LYS  93 -11.912  -8.596  -5.566
  650   1HB   LYS  93          1HB       LYS  93 -10.911 -11.378  -4.905
  651   2HB   LYS  93          2HB       LYS  93 -10.508  -9.957  -3.963
  652   1HG   LYS  93          1HG       LYS  93 -13.385 -10.033  -4.458
  653   2HG   LYS  93          2HG       LYS  93 -12.861 -11.555  -3.766
  654   1HD   LYS  93          1HD       LYS  93 -11.945 -10.490  -1.818
  655   2HD   LYS  93          2HD       LYS  93 -11.962  -8.907  -2.570
  656   1HE   LYS  93          1HE       LYS  93 -14.657 -10.035  -2.573
  657   2HE   LYS  93          2HE       LYS  93 -13.998 -10.072  -0.950
  658   1HZ   LYS  93          1HZ       LYS  93 -14.289  -7.692  -2.691
  659   2HZ   LYS  93          2HZ       LYS  93 -14.974  -7.940  -1.235
  660    H    LYS  94           H        LYS  94 -10.019 -10.946  -7.523
  661    HA   LYS  94           HA       LYS  94  -7.574  -9.593  -7.273
  662   1HB   LYS  94          1HB       LYS  94  -8.548 -11.951  -8.475
  663   2HB   LYS  94          2HB       LYS  94  -7.845 -11.017  -9.780
  664   1HG   LYS  94          1HG       LYS  94  -5.756 -10.712  -8.404
  665   2HG   LYS  94          2HG       LYS  94  -6.460 -11.706  -7.145
  666   1HD   LYS  94          1HD       LYS  94  -6.795 -13.303  -9.406
  667   2HD   LYS  94          2HD       LYS  94  -5.266 -12.513  -9.737
  668   1HE   LYS  94          1HE       LYS  94  -5.674 -13.622  -6.965
  669   2HE   LYS  94          2HE       LYS  94  -5.426 -14.773  -8.262
  670   1HZ   LYS  94          1HZ       LYS  94  -3.258 -14.304  -7.744
  671   2HZ   LYS  94          2HZ       LYS  94  -3.462 -13.087  -8.807
  672    H    LYS  95           H        LYS  95 -10.506  -8.661  -8.736
  673    HA   LYS  95           HA       LYS  95  -9.067  -6.888 -10.582
  674   1HB   LYS  95          1HB       LYS  95 -11.095  -8.654 -11.153
  675   2HB   LYS  95          2HB       LYS  95 -11.984  -7.164 -10.905
  676   1HG   LYS  95          1HG       LYS  95 -10.836  -6.029 -12.647
  677   2HG   LYS  95          2HG       LYS  95  -9.479  -7.138 -12.613
  678   1HD   LYS  95          1HD       LYS  95 -12.000  -8.536 -13.209
  679   2HD   LYS  95          2HD       LYS  95 -11.693  -7.248 -14.357
  680   1HE   LYS  95          1HE       LYS  95  -9.534  -9.262 -13.604
  681   2HE   LYS  95          2HE       LYS  95 -10.685  -9.585 -14.886
  682   1HZ   LYS  95          1HZ       LYS  95  -8.396  -7.929 -14.989
  683   2HZ   LYS  95          2HZ       LYS  95  -9.378  -8.357 -16.216
  684    H    ASP  96           H        ASP  96 -10.529  -7.082  -7.536
  685    HA   ASP  96           HA       ASP  96 -11.166  -4.239  -7.676
  686   1HB   ASP  96          1HB       ASP  96 -12.663  -6.517  -6.631
  687   2HB   ASP  96          2HB       ASP  96 -12.334  -5.384  -5.335
  688    H    LEU  97           H        LEU  97  -8.841  -6.404  -6.787
  689    HA   LEU  97           HA       LEU  97  -8.142  -4.877  -4.378
  690   1HB   LEU  97          1HB       LEU  97  -7.939  -7.843  -4.873
  691   2HB   LEU  97          2HB       LEU  97  -7.005  -7.026  -3.635
  692    HG   LEU  97           HG       LEU  97  -9.987  -7.426  -3.788
  693   1HD1  LEU  97          3HD1      LEU  97  -8.120  -8.956  -2.629
  694   2HD1  LEU  97          1HD1      LEU  97  -8.407  -7.808  -1.299
  695   3HD1  LEU  97          2HD1      LEU  97  -9.760  -8.754  -1.966
  696   1HD2  LEU  97          1HD2      LEU  97  -8.510  -5.208  -2.457
  697   2HD2  LEU  97          2HD2      LEU  97 -10.153  -5.254  -3.140
  698   3HD2  LEU  97          3HD2      LEU  97  -9.829  -5.986  -1.550
  699    H    THR  98           H        THR  98  -7.002  -6.864  -7.176
  700    HA   THR  98           HA       THR  98  -4.511  -5.289  -7.087
  701    HB   THR  98           HB       THR  98  -3.376  -7.268  -7.885
  702    HG1  THR  98           HG1      THR  98  -5.069  -7.854  -9.424
  703   1HG2  THR  98          3HG2      THR  98  -5.579  -8.156  -5.948
  704   2HG2  THR  98          1HG2      THR  98  -4.142  -9.124  -6.353
  705   3HG2  THR  98          2HG2      THR  98  -3.958  -7.576  -5.495
  706    H    GLY  99           H        GLY  99  -7.410  -5.174  -8.487
  707   1HA   GLY  99          1HA       GLY  99  -6.957  -5.341 -11.245
  708   2HA   GLY  99          2HA       GLY  99  -8.195  -4.396 -10.442
  709    H    CYS 100           H        CYS 100  -6.487  -3.730 -12.825
  710    HA   CYS 100           HA       CYS 100  -4.702  -1.703 -11.844
  711   1HB   CYS 100          1HB       CYS 100  -5.391  -2.834 -14.525
  712   2HB   CYS 100          2HB       CYS 100  -4.656  -1.245 -14.446
  713    H    LYS 101           H        LYS 101  -7.656  -1.872 -13.975
  714    HA   LYS 101           HA       LYS 101  -8.308   0.833 -13.031
  715   1HB   LYS 101          1HB       LYS 101  -7.550   0.893 -15.356
  716   2HB   LYS 101          2HB       LYS 101  -8.718  -0.336 -15.799
  717   1HG   LYS 101          1HG       LYS 101  -9.786   2.091 -14.383
  718   2HG   LYS 101          2HG       LYS 101  -9.224   2.324 -16.026
  719   1HD   LYS 101          1HD       LYS 101 -10.694   0.006 -16.314
  720   2HD   LYS 101          2HD       LYS 101 -11.585   0.798 -15.029
  721   1HE   LYS 101          1HE       LYS 101 -12.599   1.625 -17.016
  722   2HE   LYS 101          2HE       LYS 101 -11.540   2.928 -16.513
  723   1HZ   LYS 101          1HZ       LYS 101 -11.474   1.936 -18.964
  724   2HZ   LYS 101          2HZ       LYS 101 -10.136   2.547 -18.267
  725    H    LYS 102           H        LYS 102 -10.426   1.201 -12.365
  726    HA   LYS 102           HA       LYS 102 -12.513   0.747 -11.778
  727   1HB   LYS 102          1HB       LYS 102 -12.158  -0.945 -14.096
  728   2HB   LYS 102          2HB       LYS 102 -13.180  -1.748 -12.922
  729   1HG   LYS 102          1HG       LYS 102 -14.173   0.840 -12.828
  730   2HG   LYS 102          2HG       LYS 102 -13.698   0.715 -14.510
  731   1HD   LYS 102          1HD       LYS 102 -14.955  -1.585 -14.488
  732   2HD   LYS 102          2HD       LYS 102 -15.671  -1.028 -12.988
  733   1HE   LYS 102          1HE       LYS 102 -17.255  -0.192 -14.461
  734   2HE   LYS 102          2HE       LYS 102 -16.166   1.181 -14.440
  735   1HZ   LYS 102          1HZ       LYS 102 -15.837  -0.991 -16.425
  736   2HZ   LYS 102          2HZ       LYS 102 -16.822   0.274 -16.713
  737    H    SER 103           H        SER 103 -10.345   0.140 -10.113
  738    HA   SER 103           HA       SER 103 -11.288  -2.331  -8.881
  739   1HB   SER 103          1HB       SER 103  -8.830  -1.931  -7.736
  740   2HB   SER 103          2HB       SER 103  -9.110  -2.948  -9.135
  741    HG   SER 103           HG       SER 103  -8.448  -0.131  -9.278
  742    H    LYS 104           H        LYS 104 -10.216  -2.104  -6.338
  743    HA   LYS 104           HA       LYS 104 -11.896  -0.089  -5.217
  744   1HB   LYS 104          1HB       LYS 104 -10.067  -2.203  -4.071
  745   2HB   LYS 104          2HB       LYS 104 -10.868  -1.023  -3.053
  746   1HG   LYS 104          1HG       LYS 104 -12.571  -2.461  -5.075
  747   2HG   LYS 104          2HG       LYS 104 -12.006  -3.395  -3.704
  748   1HD   LYS 104          1HD       LYS 104 -12.852  -1.286  -2.301
  749   2HD   LYS 104          2HD       LYS 104 -13.818  -0.972  -3.729
  750   1HE   LYS 104          1HE       LYS 104 -13.792  -3.675  -2.310
  751   2HE   LYS 104          2HE       LYS 104 -14.940  -2.409  -1.922
  752   1HZ   LYS 104          1HZ       LYS 104 -15.779  -4.005  -3.605
  753   2HZ   LYS 104          2HZ       LYS 104 -15.763  -2.483  -4.184
  754    H    CYS 105           H        CYS 105  -8.469  -0.452  -6.037
  755    HA   CYS 105           HA       CYS 105  -7.710   1.793  -4.419
  756   1HB   CYS 105          1HB       CYS 105  -6.097   0.308  -6.519
  757   2HB   CYS 105          2HB       CYS 105  -5.475   1.438  -5.334
  758    H    HIS 106           H        HIS 106  -7.480   1.027  -7.979
  759    HA   HIS 106           HA       HIS 106  -7.684   3.876  -8.504
  760   1HB   HIS 106          1HB       HIS 106  -6.965   1.535 -10.289
  761   2HB   HIS 106          2HB       HIS 106  -7.047   3.202 -10.825
  762    HD1  HIS 106           HD1      HIS 106  -5.452   4.852  -9.055
  763    HD2  HIS 106           HD2      HIS 106  -4.402   0.844  -9.705
  764    HE1  HIS 106           HE1      HIS 106  -2.984   4.651  -8.439
  765    H    GLU 107           H        GLU 107  -9.334   4.803  -9.785
  766    HA   GLU 107           HA       GLU 107 -11.462   2.978 -10.540
  767   1HB   GLU 107          1HB       GLU 107 -11.762   5.486  -8.841
  768   2HB   GLU 107          2HB       GLU 107 -13.114   4.756  -9.684
  769   1HG   GLU 107          1HG       GLU 107 -12.108   2.533  -8.455
  770   2HG   GLU 107          2HG       GLU 107 -11.588   3.750  -7.307
  771    HHA  HEC 108           HHA      HEC 108  -0.850   6.566   7.576
  772    HHB  HEC 108           HHB      HEC 108  -1.655   3.874  13.340
  773    HHC  HEC 108           HHC      HEC 108  -2.532  -1.836  10.570
  774    HHD  HEC 108           HHD      HEC 108  -1.064   0.773   4.837
  775   1HMA  HEC 108          1HMA      HEC 108  -1.684   7.497  12.772
  776   2HMA  HEC 108          2HMA      HEC 108  -1.722   5.906  13.570
  777   3HMA  HEC 108          3HMA      HEC 108  -0.162   6.669  13.178
  778   1HAA  HEC 108          1HAA      HEC 108  -0.410   7.944   8.934
  779   2HAA  HEC 108          2HAA      HEC 108  -1.605   8.450  10.153
  780   1HBA  HEC 108          1HBA      HEC 108   0.456   7.957  11.784
  781   2HBA  HEC 108          2HBA      HEC 108   1.359   8.348  10.301
  782   1HMB  HEC 108          1HMB      HEC 108  -2.205   2.609  14.762
  783   2HMB  HEC 108          2HMB      HEC 108  -3.740   1.708  14.755
  784   3HMB  HEC 108          3HMB      HEC 108  -2.227   0.887  15.209
  785    HAB  HEC 108           HAB      HEC 108  -3.291  -1.953  12.412
  786   1HBB  HEC 108          1HBB      HEC 108  -4.097  -0.730  15.020
  787   2HBB  HEC 108          2HBB      HEC 108  -5.010  -0.326  13.546
  788   3HBB  HEC 108          3HBB      HEC 108  -4.870  -2.021  14.070
  789   1HMC  HEC 108          1HMC      HEC 108  -3.671  -3.250   7.957
  790   2HMC  HEC 108          2HMC      HEC 108  -2.072  -3.786   7.385
  791   3HMC  HEC 108          3HMC      HEC 108  -2.312  -3.374   9.100
  792    HAC  HEC 108           HAC      HEC 108  -1.991  -1.100   4.474
  793   1HBC  HEC 108          1HBC      HEC 108  -3.712  -2.746   5.654
  794   2HBC  HEC 108          2HBC      HEC 108  -3.074  -3.044   4.019
  795   3HBC  HEC 108          3HBC      HEC 108  -2.376  -3.898   5.416
  796   1HMD  HEC 108          1HMD      HEC 108   0.104   2.169   3.527
  797   2HMD  HEC 108          2HMD      HEC 108  -1.400   3.005   3.069
  798   3HMD  HEC 108          3HMD      HEC 108   0.140   3.898   3.106
  799   1HAD  HEC 108          1HAD      HEC 108  -0.623   6.810   5.578
  800   2HAD  HEC 108          2HAD      HEC 108   0.823   6.069   4.850
  801   1HBD  HEC 108          1HBD      HEC 108  -1.495   5.325   3.327
  802   2HBD  HEC 108          2HBD      HEC 108  -1.462   7.090   3.552
  803    HHA  HEC 109           HHA      HEC 109  11.722  -2.193   1.653
  804    HHB  HEC 109           HHB      HEC 109   5.352  -1.534   1.333
  805    HHC  HEC 109           HHC      HEC 109   5.643   3.305   5.528
  806    HHD  HEC 109           HHD      HEC 109  12.106   3.284   4.964
  807   1HMA  HEC 109          1HMA      HEC 109   6.129  -3.937   0.860
  808   2HMA  HEC 109          2HMA      HEC 109   6.292  -2.919  -0.591
  809   3HMA  HEC 109          3HMA      HEC 109   7.368  -4.318  -0.360
  810   1HAA  HEC 109          1HAA      HEC 109  10.993  -3.817   0.716
  811   2HAA  HEC 109          2HAA      HEC 109   9.540  -4.755   0.297
  812   1HBA  HEC 109          1HBA      HEC 109   9.314  -3.403  -1.769
  813   2HBA  HEC 109          2HBA      HEC 109  10.839  -2.582  -1.360
  814   1HMB  HEC 109          1HMB      HEC 109   3.467  -0.862   1.631
  815   2HMB  HEC 109          2HMB      HEC 109   2.858  -1.071   3.290
  816   3HMB  HEC 109          3HMB      HEC 109   2.441   0.392   2.367
  817    HAB  HEC 109           HAB      HEC 109   3.745   2.755   5.391
  818   1HBB  HEC 109          1HBB      HEC 109   2.815   0.480   5.900
  819   2HBB  HEC 109          2HBB      HEC 109   1.615   1.792   5.821
  820   3HBB  HEC 109          3HBB      HEC 109   1.781   0.654   4.462
  821   1HMC  HEC 109          1HMC      HEC 109   8.093   5.778   7.297
  822   2HMC  HEC 109          2HMC      HEC 109   6.907   5.752   5.970
  823   3HMC  HEC 109          3HMC      HEC 109   6.752   4.609   7.326
  824    HAC  HEC 109           HAC      HEC 109  11.646   4.819   6.084
  825   1HBC  HEC 109          1HBC      HEC 109  10.335   4.282   8.319
  826   2HBC  HEC 109          2HBC      HEC 109  11.594   5.538   8.244
  827   3HBC  HEC 109          3HBC      HEC 109   9.875   5.995   8.175
  828   1HMD  HEC 109          1HMD      HEC 109  13.935   2.626   4.729
  829   2HMD  HEC 109          2HMD      HEC 109  14.871   1.118   4.595
  830   3HMD  HEC 109          3HMD      HEC 109  14.737   2.210   3.195
  831   1HAD  HEC 109          1HAD      HEC 109  13.678  -1.887   2.142
  832   2HAD  HEC 109          2HAD      HEC 109  14.381  -0.429   1.401
  833   1HBD  HEC 109          1HBD      HEC 109  14.908  -0.854   4.295
  834   2HBD  HEC 109          2HBD      HEC 109  15.696  -1.961   3.146
  835    HHA  HEC 110           HHA      HEC 110 -10.172  -4.740   0.884
  836    HHB  HEC 110           HHB      HEC 110  -6.337   0.111  -0.811
  837    HHC  HEC 110           HHC      HEC 110  -1.419  -2.793   2.090
  838    HHD  HEC 110           HHD      HEC 110  -5.118  -7.948   3.171
  839   1HMA  HEC 110          1HMA      HEC 110  -8.364   0.739  -0.986
  840   2HMA  HEC 110          2HMA      HEC 110  -8.923  -0.227  -2.373
  841   3HMA  HEC 110          3HMA      HEC 110 -10.056   0.193  -1.066
  842   1HAA  HEC 110          1HAA      HEC 110 -11.155  -2.226  -1.496
  843   2HAA  HEC 110          2HAA      HEC 110 -11.229  -3.532  -0.289
  844   1HBA  HEC 110          1HBA      HEC 110 -11.211  -1.279   1.284
  845   2HBA  HEC 110          2HBA      HEC 110 -12.150  -0.758  -0.135
  846   1HMB  HEC 110          1HMB      HEC 110  -2.782   1.145  -1.271
  847   2HMB  HEC 110          2HMB      HEC 110  -4.526   0.963  -1.581
  848   3HMB  HEC 110          3HMB      HEC 110  -3.965   1.795  -0.110
  849    HAB  HEC 110           HAB      HEC 110  -0.710  -1.138   1.231
  850   1HBB  HEC 110          1HBB      HEC 110  -1.107   1.607   0.154
  851   2HBB  HEC 110          2HBB      HEC 110  -1.888   1.202   1.702
  852   3HBB  HEC 110          3HBB      HEC 110  -0.125   1.034   1.523
  853   1HMC  HEC 110          1HMC      HEC 110  -0.177  -4.372   2.522
  854   2HMC  HEC 110          2HMC      HEC 110  -0.256  -5.554   3.850
  855   3HMC  HEC 110          3HMC      HEC 110  -0.009  -6.110   2.177
  856    HAC  HEC 110           HAC      HEC 110  -3.201  -8.165   4.222
  857   1HBC  HEC 110          1HBC      HEC 110  -1.194  -6.986   5.113
  858   2HBC  HEC 110          2HBC      HEC 110  -0.970  -8.735   4.870
  859   3HBC  HEC 110          3HBC      HEC 110  -0.279  -7.579   3.706
  860   1HMD  HEC 110          1HMD      HEC 110  -8.011  -8.494   4.509
  861   2HMD  HEC 110          2HMD      HEC 110  -8.452  -9.351   3.013
  862   3HMD  HEC 110          3HMD      HEC 110  -6.738  -9.104   3.425
  863   1HAD  HEC 110          1HAD      HEC 110 -10.349  -8.067   2.763
  864   2HAD  HEC 110          2HAD      HEC 110 -10.797  -6.351   2.919
  865   1HBD  HEC 110          1HBD      HEC 110 -10.241  -6.895   0.169
  866   2HBD  HEC 110          2HBD      HEC 110 -11.349  -8.141   0.792
  867    HHA  HEC 111           HHA      HEC 111   0.403   5.648  -7.695
  868    HHB  HEC 111           HHB      HEC 111  -0.545   2.140 -12.978
  869    HHC  HEC 111           HHC      HEC 111  -3.232  -2.489  -9.455
  870    HHD  HEC 111           HHD      HEC 111  -3.043   1.444  -4.301
  871   1HMA  HEC 111          1HMA      HEC 111   0.003   4.915 -13.408
  872   2HMA  HEC 111          2HMA      HEC 111   1.646   5.235 -12.803
  873   3HMA  HEC 111          3HMA      HEC 111   1.187   3.590 -13.305
  874   1HAA  HEC 111          1HAA      HEC 111   0.667   7.044 -10.737
  875   2HAA  HEC 111          2HAA      HEC 111   1.322   6.559  -9.155
  876   1HBA  HEC 111          1HBA      HEC 111   3.371   6.505  -9.990
  877   2HBA  HEC 111          2HBA      HEC 111   2.875   5.335 -11.236
  878   1HMB  HEC 111          1HMB      HEC 111  -1.774  -0.836 -14.410
  879   2HMB  HEC 111          2HMB      HEC 111  -0.682   0.542 -14.131
  880   3HMB  HEC 111          3HMB      HEC 111  -0.108  -1.120 -13.851
  881    HAB  HEC 111           HAB      HEC 111  -3.284  -3.053 -11.506
  882   1HBB  HEC 111          1HBB      HEC 111  -1.118  -4.325 -12.708
  883   2HBB  HEC 111          2HBB      HEC 111  -0.390  -3.250 -11.490
  884   3HBB  HEC 111          3HBB      HEC 111  -1.624  -4.438 -11.005
  885   1HMC  HEC 111          1HMC      HEC 111  -5.619  -2.722  -6.831
  886   2HMC  HEC 111          2HMC      HEC 111  -4.374  -3.286  -7.972
  887   3HMC  HEC 111          3HMC      HEC 111  -4.165  -3.552  -6.224
  888    HAC  HEC 111           HAC      HEC 111  -3.849  -0.303  -3.703
  889   1HBC  HEC 111          1HBC      HEC 111  -3.980  -2.365  -2.820
  890   2HBC  HEC 111          2HBC      HEC 111  -5.069  -2.963  -4.093
  891   3HBC  HEC 111          3HBC      HEC 111  -3.318  -2.864  -4.395
  892   1HMD  HEC 111          1HMD      HEC 111  -1.850   4.604  -2.950
  893   2HMD  HEC 111          2HMD      HEC 111  -2.554   2.973  -3.074
  894   3HMD  HEC 111          3HMD      HEC 111  -0.813   3.170  -2.757
  895   1HAD  HEC 111          1HAD      HEC 111   0.517   5.480  -4.047
  896   2HAD  HEC 111          2HAD      HEC 111   0.739   6.027  -5.726
  897   1HBD  HEC 111          1HBD      HEC 111  -1.701   6.909  -5.483
  898   2HBD  HEC 111          2HBD      HEC 111  -1.374   6.780  -3.738
   
  No H/Q in entry =         898
  Start of MODEL    3
    1   1H    ALA   1          1H        ALA   1   2.595   4.638  20.625
    2   2H    ALA   1          2H        ALA   1   2.940   3.093  21.110
    3    HA   ALA   1           HA       ALA   1   1.709   3.095  18.613
    4   1HB   ALA   1          2HB       ALA   1   1.854   1.553  21.009
    5   2HB   ALA   1          3HB       ALA   1   0.136   1.912  20.716
    6   3HB   ALA   1          1HB       ALA   1   1.103   1.106  19.458
    7    HA   PRO   2           HA       PRO   2  -0.789   6.586  19.765
    8   1HB   PRO   2          1HB       PRO   2  -1.220   7.505  17.228
    9   2HB   PRO   2          2HB       PRO   2   0.131   8.021  18.218
   10   1HG   PRO   2          1HG       PRO   2   0.121   6.158  15.923
   11   2HG   PRO   2          2HG       PRO   2   1.475   7.006  16.642
   12   1HD   PRO   2          1HD       PRO   2   0.808   4.237  16.982
   13   2HD   PRO   2          2HD       PRO   2   2.092   5.113  17.791
   14    H    LYS   3           H        LYS   3  -1.952   5.740  16.595
   15    HA   LYS   3           HA       LYS   3  -3.821   3.870  17.239
   16   1HB   LYS   3          1HB       LYS   3  -4.487   6.302  18.538
   17   2HB   LYS   3          2HB       LYS   3  -5.616   6.124  17.210
   18   1HG   LYS   3          1HG       LYS   3  -5.561   3.542  18.185
   19   2HG   LYS   3          2HG       LYS   3  -5.287   4.451  19.658
   20   1HD   LYS   3          1HD       LYS   3  -7.311   5.913  18.955
   21   2HD   LYS   3          2HD       LYS   3  -7.643   4.694  17.741
   22   1HE   LYS   3          1HE       LYS   3  -8.879   3.710  19.405
   23   2HE   LYS   3          2HE       LYS   3  -7.332   3.085  19.940
   24   1HZ   LYS   3          1HZ       LYS   3  -7.399   5.543  21.082
   25   2HZ   LYS   3          2HZ       LYS   3  -8.968   5.116  21.165
   26    H    ALA   4           H        ALA   4  -5.390   3.544  15.474
   27    HA   ALA   4           HA       ALA   4  -4.256   4.229  12.998
   28   1HB   ALA   4          3HB       ALA   4  -5.874   2.268  13.871
   29   2HB   ALA   4          1HB       ALA   4  -7.111   3.353  13.192
   30   3HB   ALA   4          2HB       ALA   4  -5.797   2.743  12.158
   31    HA   PRO   5           HA       PRO   5  -6.153   8.064  12.315
   32   1HB   PRO   5          1HB       PRO   5  -5.742   8.321   9.625
   33   2HB   PRO   5          2HB       PRO   5  -4.513   8.682  10.821
   34   1HG   PRO   5          1HG       PRO   5  -4.728   6.337   9.034
   35   2HG   PRO   5          2HG       PRO   5  -3.329   6.925   9.910
   36   1HD   PRO   5          1HD       PRO   5  -4.968   4.675  10.605
   37   2HD   PRO   5          2HD       PRO   5  -3.640   5.334  11.540
   38    H    ALA   6           H        ALA   6  -7.896   9.248  11.174
   39    HA   ALA   6           HA       ALA   6 -10.209   7.745  11.269
   40   1HB   ALA   6          1HB       ALA   6  -9.429  10.389  10.028
   41   2HB   ALA   6          2HB       ALA   6 -11.078   9.748   9.835
   42   3HB   ALA   6          3HB       ALA   6 -10.436  10.074  11.462
   43    H    ASP   7           H        ASP   7 -11.707   8.093   8.982
   44    HA   ASP   7           HA       ASP   7 -10.348   6.236   7.225
   45   1HB   ASP   7          1HB       ASP   7 -12.693   5.957   6.255
   46   2HB   ASP   7          2HB       ASP   7 -12.506   5.448   7.921
   47    H    GLY   8           H        GLY   8 -10.723   6.580   4.788
   48   1HA   GLY   8          1HA       GLY   8 -11.090   7.901   2.944
   49   2HA   GLY   8          2HA       GLY   8 -11.450   9.274   3.970
   50    H    LEU   9           H        LEU   9  -8.564   7.292   4.580
   51    HA   LEU   9           HA       LEU   9  -6.908   9.591   4.247
   52   1HB   LEU   9          1HB       LEU   9  -6.373   8.178   6.030
   53   2HB   LEU   9          2HB       LEU   9  -6.475   6.730   5.048
   54    HG   LEU   9           HG       LEU   9  -4.158   7.836   5.812
   55   1HD1  LEU   9          1HD1      LEU   9  -4.776   5.694   4.431
   56   2HD1  LEU   9          2HD1      LEU   9  -4.215   6.670   3.052
   57   3HD1  LEU   9          3HD1      LEU   9  -3.117   6.338   4.414
   58   1HD2  LEU   9          1HD2      LEU   9  -4.911   9.878   4.314
   59   2HD2  LEU   9          2HD2      LEU   9  -3.211   9.359   4.394
   60   3HD2  LEU   9          3HD2      LEU   9  -4.224   8.878   3.012
   61    H    LYS  10           H        LYS  10  -6.827  10.307   2.131
   62    HA   LYS  10           HA       LYS  10  -6.115   8.304   0.120
   63   1HB   LYS  10          1HB       LYS  10  -8.078   9.501  -0.488
   64   2HB   LYS  10          2HB       LYS  10  -7.375  11.046  -0.055
   65   1HG   LYS  10          1HG       LYS  10  -5.571  10.536  -1.868
   66   2HG   LYS  10          2HG       LYS  10  -6.644   9.261  -2.409
   67   1HD   LYS  10          1HD       LYS  10  -7.957  10.753  -3.501
   68   2HD   LYS  10          2HD       LYS  10  -8.203  11.676  -2.032
   69   1HE   LYS  10          1HE       LYS  10  -5.680  12.497  -2.583
   70   2HE   LYS  10          2HE       LYS  10  -6.169  12.081  -4.214
   71   1HZ   LYS  10          1HZ       LYS  10  -7.846  13.814  -2.492
   72   2HZ   LYS  10          2HZ       LYS  10  -6.690  14.429  -3.461
   73    H    MET  11           H        MET  11  -4.232   8.493  -1.128
   74    HA   MET  11           HA       MET  11  -2.422  10.584  -0.192
   75   1HB   MET  11          1HB       MET  11  -0.578   8.885  -0.540
   76   2HB   MET  11          2HB       MET  11  -1.723   8.378   0.686
   77   1HG   MET  11          1HG       MET  11  -2.738   7.440  -1.834
   78   2HG   MET  11          2HG       MET  11  -1.030   7.049  -1.799
   79   1HE   MET  11          2HE       MET  11   0.145   5.679  -0.169
   80   2HE   MET  11          3HE       MET  11  -0.646   4.261   0.559
   81   3HE   MET  11          1HE       MET  11  -0.709   4.508  -1.202
   82    H    GLU  12           H        GLU  12  -2.070  12.025  -1.823
   83    HA   GLU  12           HA       GLU  12  -2.084  10.935  -4.525
   84   1HB   GLU  12          1HB       GLU  12  -3.792  12.725  -3.895
   85   2HB   GLU  12          2HB       GLU  12  -2.458  13.845  -3.702
   86   1HG   GLU  12          1HG       GLU  12  -2.694  12.268  -6.277
   87   2HG   GLU  12          2HG       GLU  12  -3.733  13.657  -6.031
   88    H    ALA  13           H        ALA  13   0.212  10.216  -3.881
   89    HA   ALA  13           HA       ALA  13   2.096  12.449  -3.932
   90   1HB   ALA  13          1HB       ALA  13   1.978   9.828  -2.690
   91   2HB   ALA  13          2HB       ALA  13   3.449   9.980  -3.680
   92   3HB   ALA  13          3HB       ALA  13   3.115  11.164  -2.395
   93    H    THR  14           H        THR  14   0.457  10.336  -6.028
   94    HA   THR  14           HA       THR  14   2.524  10.767  -8.069
   95    HB   THR  14           HB       THR  14   2.334   8.476  -8.795
   96    HG1  THR  14           HG1      THR  14   0.067   8.603  -6.942
   97   1HG2  THR  14          2HG2      THR  14   2.071   8.392  -5.742
   98   2HG2  THR  14          3HG2      THR  14   2.716   7.091  -6.772
   99   3HG2  THR  14          1HG2      THR  14   3.602   8.627  -6.620
  100    H    LYS  15           H        LYS  15   1.443  10.125 -10.335
  101    HA   LYS  15           HA       LYS  15  -0.572  12.050 -10.685
  102   1HB   LYS  15          1HB       LYS  15   1.173  11.331 -12.357
  103   2HB   LYS  15          2HB       LYS  15   0.259   9.857 -12.604
  104   1HG   LYS  15          1HG       LYS  15  -1.294  10.912 -13.895
  105   2HG   LYS  15          2HG       LYS  15  -1.486  12.217 -12.741
  106   1HD   LYS  15          1HD       LYS  15   0.410  13.425 -13.640
  107   2HD   LYS  15          2HD       LYS  15   0.941  12.042 -14.575
  108   1HE   LYS  15          1HE       LYS  15  -0.152  13.215 -16.255
  109   2HE   LYS  15          2HE       LYS  15  -1.500  12.260 -15.671
  110   1HZ   LYS  15          1HZ       LYS  15  -1.383  15.006 -15.734
  111   2HZ   LYS  15          2HZ       LYS  15  -2.518  14.125 -14.969
  112    H    GLN  16           H        GLN  16  -0.673   8.886  -9.414
  113    HA   GLN  16           HA       GLN  16  -3.532   8.816  -9.979
  114   1HB   GLN  16          1HB       GLN  16  -1.758   6.358  -9.675
  115   2HB   GLN  16          2HB       GLN  16  -3.455   6.380 -10.111
  116   1HG   GLN  16          1HG       GLN  16  -1.648   8.023 -11.845
  117   2HG   GLN  16          2HG       GLN  16  -1.422   6.288 -11.941
  118   1HE2  GLN  16          1HE2      GLN  16  -3.645   5.068 -11.886
  119   2HE2  GLN  16          2HE2      GLN  16  -4.814   5.611 -13.043
  120    HA   PRO  17           HA       PRO  17  -3.249   8.927  -5.554
  121   1HB   PRO  17          1HB       PRO  17  -5.715  10.020  -5.113
  122   2HB   PRO  17          2HB       PRO  17  -4.273  10.982  -5.370
  123   1HG   PRO  17          1HG       PRO  17  -6.507  10.458  -7.233
  124   2HG   PRO  17          2HG       PRO  17  -5.297  11.723  -7.299
  125   1HD   PRO  17          1HD       PRO  17  -5.374   9.338  -8.890
  126   2HD   PRO  17          2HD       PRO  17  -4.105  10.546  -8.873
  127    H    VAL  18           H        VAL  18  -4.376   7.947  -3.697
  128    HA   VAL  18           HA       VAL  18  -6.309   5.952  -4.564
  129    HB   VAL  18           HB       VAL  18  -3.657   5.350  -3.249
  130   1HG1  VAL  18          3HG1      VAL  18  -5.466   4.149  -2.080
  131   2HG1  VAL  18          1HG1      VAL  18  -6.022   3.483  -3.634
  132   3HG1  VAL  18          2HG1      VAL  18  -4.420   3.039  -2.998
  133   1HG2  VAL  18          1HG2      VAL  18  -4.818   4.953  -5.945
  134   2HG2  VAL  18          2HG2      VAL  18  -3.120   5.111  -5.433
  135   3HG2  VAL  18          3HG2      VAL  18  -3.959   3.550  -5.265
  136    H    VAL  19           H        VAL  19  -7.581   5.101  -2.771
  137    HA   VAL  19           HA       VAL  19  -7.359   6.805  -0.385
  138    HB   VAL  19           HB       VAL  19  -9.764   5.825  -1.917
  139   1HG1  VAL  19          2HG1      VAL  19  -9.499   6.296   0.954
  140   2HG1  VAL  19          3HG1      VAL  19 -10.724   7.348   0.205
  141   3HG1  VAL  19          1HG1      VAL  19 -10.842   5.581   0.030
  142   1HG2  VAL  19          2HG2      VAL  19  -8.302   8.216  -1.991
  143   2HG2  VAL  19          3HG2      VAL  19  -9.913   7.917  -2.687
  144   3HG2  VAL  19          1HG2      VAL  19  -9.763   8.597  -1.048
  145    H    PHE  20           H        PHE  20  -6.645   5.640   1.319
  146    HA   PHE  20           HA       PHE  20  -7.265   2.775   1.340
  147   1HB   PHE  20          1HB       PHE  20  -4.868   3.616   1.457
  148   2HB   PHE  20          2HB       PHE  20  -5.286   4.597   2.848
  149    HD1  PHE  20           HD2      PHE  20  -5.050   1.063   1.677
  150    HD2  PHE  20           HD1      PHE  20  -5.169   3.710   5.036
  151    HE1  PHE  20           HE2      PHE  20  -4.448  -0.862   3.225
  152    HE2  PHE  20           HE1      PHE  20  -4.567   1.776   6.573
  153    HZ   PHE  20           HZ       PHE  20  -4.198  -0.520   5.544
  154    H    ASN  21           H        ASN  21  -7.658   1.803   3.561
  155    HA   ASN  21           HA       ASN  21  -8.926   3.705   5.339
  156   1HB   ASN  21          1HB       ASN  21 -10.216   1.190   4.173
  157   2HB   ASN  21          2HB       ASN  21 -10.826   1.960   5.624
  158   1HD2  ASN  21          2HD2      ASN  21 -11.269   3.670   1.892
  159   2HD2  ASN  21          1HD2      ASN  21 -10.149   2.384   2.200
  160    H    HIS  22           H        HIS  22  -8.783   3.020   7.570
  161    HA   HIS  22           HA       HIS  22  -7.028   0.734   7.957
  162   1HB   HIS  22          1HB       HIS  22  -7.667   3.216   9.508
  163   2HB   HIS  22          2HB       HIS  22  -7.101   1.807  10.382
  164    HD1  HIS  22           HD1      HIS  22  -5.982   4.405   7.895
  165    HD2  HIS  22           HD2      HIS  22  -4.389   1.119   9.959
  166    HE1  HIS  22           HE1      HIS  22  -3.451   4.527   7.589
  167    H    SER  23           H        SER  23 -10.349   1.727   8.214
  168    HA   SER  23           HA       SER  23 -10.986  -0.069  10.318
  169   1HB   SER  23          1HB       SER  23 -12.216   2.134   9.208
  170   2HB   SER  23          2HB       SER  23 -13.159   0.839   8.496
  171    HG   SER  23           HG       SER  23 -12.599   0.884  11.323
  172    H    THR  24           H        THR  24  -9.980  -0.579   7.190
  173    HA   THR  24           HA       THR  24 -11.793  -2.857   6.771
  174    HB   THR  24           HB       THR  24 -10.009  -1.224   4.892
  175    HG1  THR  24           HG1      THR  24 -12.118  -0.359   5.632
  176   1HG2  THR  24          2HG2      THR  24 -10.401  -3.816   4.391
  177   2HG2  THR  24          3HG2      THR  24 -12.057  -3.282   4.015
  178   3HG2  THR  24          1HG2      THR  24 -10.679  -2.618   3.104
  179    H    HIS  25           H        HIS  25  -8.388  -1.850   7.165
  180    HA   HIS  25           HA       HIS  25  -7.613  -4.647   6.934
  181   1HB   HIS  25          1HB       HIS  25  -5.924  -2.137   7.128
  182   2HB   HIS  25          2HB       HIS  25  -5.307  -3.764   6.922
  183    HD1  HIS  25           HD1      HIS  25  -7.468  -1.209   5.080
  184    HD2  HIS  25           HD2      HIS  25  -5.169  -4.631   4.307
  185    HE1  HIS  25           HE1      HIS  25  -7.361  -1.440   2.541
  186    H    LYS  26           H        LYS  26  -9.272  -3.777   9.169
  187    HA   LYS  26           HA       LYS  26  -7.677  -3.261  11.428
  188   1HB   LYS  26          1HB       LYS  26 -10.440  -4.502  11.287
  189   2HB   LYS  26          2HB       LYS  26  -9.701  -3.758  12.691
  190   1HG   LYS  26          1HG       LYS  26  -9.564  -1.580  11.471
  191   2HG   LYS  26          2HG       LYS  26 -10.285  -2.322  10.056
  192   1HD   LYS  26          1HD       LYS  26 -12.236  -1.522  10.978
  193   2HD   LYS  26          2HD       LYS  26 -12.169  -3.019  11.887
  194   1HE   LYS  26          1HE       LYS  26 -10.519  -1.135  13.288
  195   2HE   LYS  26          2HE       LYS  26 -11.999  -0.294  12.873
  196   1HZ   LYS  26          1HZ       LYS  26 -13.112  -1.503  14.391
  197   2HZ   LYS  26          2HZ       LYS  26 -12.559  -2.925  13.823
  198    H    SER  27           H        SER  27  -8.883  -6.263   9.853
  199    HA   SER  27           HA       SER  27  -7.961  -7.930  11.909
  200   1HB   SER  27          1HB       SER  27  -8.498  -9.752  10.411
  201   2HB   SER  27          2HB       SER  27  -9.729  -8.522  10.212
  202    HG   SER  27           HG       SER  27  -7.787  -9.437   8.393
  203    H    VAL  28           H        VAL  28  -6.377  -6.131   9.428
  204    HA   VAL  28           HA       VAL  28  -4.174  -7.979   9.145
  205    HB   VAL  28           HB       VAL  28  -4.527  -5.151   8.133
  206   1HG1  VAL  28          2HG1      VAL  28  -2.533  -7.344   7.571
  207   2HG1  VAL  28          3HG1      VAL  28  -2.895  -6.101   6.350
  208   3HG1  VAL  28          1HG1      VAL  28  -2.248  -5.625   7.938
  209   1HG2  VAL  28          3HG2      VAL  28  -5.384  -7.813   6.992
  210   2HG2  VAL  28          1HG2      VAL  28  -6.325  -6.313   7.175
  211   3HG2  VAL  28          2HG2      VAL  28  -5.046  -6.416   5.942
  212    H    LYS  29           H        LYS  29  -2.110  -7.735  10.041
  213    HA   LYS  29           HA       LYS  29  -2.046  -6.322  12.504
  214   1HB   LYS  29          1HB       LYS  29  -0.628  -8.441  11.259
  215   2HB   LYS  29          2HB       LYS  29   0.553  -7.203  11.633
  216   1HG   LYS  29          1HG       LYS  29  -0.065  -7.178  13.973
  217   2HG   LYS  29          2HG       LYS  29  -1.517  -8.113  13.675
  218   1HD   LYS  29          1HD       LYS  29   0.500  -9.757  12.639
  219   2HD   LYS  29          2HD       LYS  29   1.270  -9.036  14.038
  220   1HE   LYS  29          1HE       LYS  29  -1.493  -9.867  14.632
  221   2HE   LYS  29          2HE       LYS  29  -0.527 -11.209  14.051
  222   1HZ   LYS  29          1HZ       LYS  29   0.538 -11.253  16.013
  223   2HZ   LYS  29          2HZ       LYS  29   0.981  -9.690  15.907
  224    H    CYS  30           H        CYS  30  -1.005  -4.408  13.058
  225    HA   CYS  30           HA       CYS  30  -0.787  -2.497  11.050
  226   1HB   CYS  30          1HB       CYS  30   0.570  -2.270  13.727
  227   2HB   CYS  30          2HB       CYS  30  -0.103  -0.997  12.728
  228    H    GLY  31           H        GLY  31   1.437  -4.891  12.405
  229   1HA   GLY  31          1HA       GLY  31   3.829  -3.615  11.409
  230   2HA   GLY  31          2HA       GLY  31   3.685  -5.187  12.170
  231    H    ASP  32           H        ASP  32   1.242  -5.146   9.890
  232    HA   ASP  32           HA       ASP  32   2.782  -6.807   8.167
  233   1HB   ASP  32          1HB       ASP  32   0.338  -7.172   8.860
  234   2HB   ASP  32          2HB       ASP  32  -0.088  -5.828   7.819
  235    H    CYS  33           H        CYS  33   1.390  -3.518   8.256
  236    HA   CYS  33           HA       CYS  33   2.219  -3.102   5.486
  237   1HB   CYS  33          1HB       CYS  33   0.094  -1.918   7.203
  238   2HB   CYS  33          2HB       CYS  33   0.896  -0.824   6.093
  239    H    HIS  34           H        HIS  34   2.208  -1.518   8.768
  240    HA   HIS  34           HA       HIS  34   4.291   0.264   8.003
  241   1HB   HIS  34          1HB       HIS  34   3.088  -0.362  10.714
  242   2HB   HIS  34          2HB       HIS  34   4.204   0.949  10.386
  243    HD1  HIS  34           HD1      HIS  34   3.303   2.926   8.819
  244    HD2  HIS  34           HD2      HIS  34   0.426   0.142  10.069
  245    HE1  HIS  34           HE1      HIS  34   1.031   4.000   8.380
  246    H    HIS  35           H        HIS  35   5.437  -1.958   7.231
  247    HA   HIS  35           HA       HIS  35   6.574  -3.723   8.875
  248   1HB   HIS  35          1HB       HIS  35   8.379  -3.926   7.273
  249   2HB   HIS  35          2HB       HIS  35   6.852  -3.692   6.447
  250    HD1  HIS  35           HD1      HIS  35   9.887  -1.614   7.521
  251    HD2  HIS  35           HD2      HIS  35   6.877  -1.664   4.601
  252    HE1  HIS  35           HE1      HIS  35  10.438   0.273   5.895
  253    HA   PRO  36           HA       PRO  36   9.198  -1.592  11.574
  254   1HB   PRO  36          1HB       PRO  36  10.902  -3.586  12.342
  255   2HB   PRO  36          2HB       PRO  36   9.295  -3.387  13.013
  256   1HG   PRO  36          1HG       PRO  36  10.253  -5.386  11.057
  257   2HG   PRO  36          2HG       PRO  36   8.807  -5.423  12.046
  258   1HD   PRO  36          1HD       PRO  36   8.957  -4.808   9.248
  259   2HD   PRO  36          2HD       PRO  36   7.530  -4.733  10.263
  260    H    VAL  37           H        VAL  37  10.454   0.043  10.956
  261    HA   VAL  37           HA       VAL  37  12.446  -0.560   8.954
  262    HB   VAL  37           HB       VAL  37  11.422   1.941  10.285
  263   1HG1  VAL  37          3HG1      VAL  37  13.857   2.189   9.975
  264   2HG1  VAL  37          1HG1      VAL  37  13.676   1.765   8.255
  265   3HG1  VAL  37          2HG1      VAL  37  12.937   3.256   8.887
  266   1HG2  VAL  37          3HG2      VAL  37  10.139   0.748   8.426
  267   2HG2  VAL  37          1HG2      VAL  37  10.500   2.472   8.171
  268   3HG2  VAL  37          2HG2      VAL  37  11.468   1.229   7.344
  269    H    ASN  38           H        ASN  38  12.564   1.279  12.090
  270    HA   ASN  38           HA       ASN  38  15.299   0.401  12.337
  271   1HB   ASN  38          1HB       ASN  38  13.875   2.772  13.021
  272   2HB   ASN  38          2HB       ASN  38  14.276   2.033  14.559
  273   1HD2  ASN  38          2HD2      ASN  38  17.220   3.364  11.968
  274   2HD2  ASN  38          1HD2      ASN  38  15.615   2.999  11.429
  275    H    GLY  39           H        GLY  39  13.074  -1.535  12.671
  276   1HA   GLY  39          1HA       GLY  39  12.804  -3.331  14.051
  277   2HA   GLY  39          2HA       GLY  39  13.769  -2.549  15.287
  278    H    LYS  40           H        LYS  40  11.589  -0.213  14.254
  279    HA   LYS  40           HA       LYS  40   9.647  -1.026  16.305
  280   1HB   LYS  40          1HB       LYS  40   9.451   1.226  17.011
  281   2HB   LYS  40          2HB       LYS  40  11.167   0.880  16.934
  282   1HG   LYS  40          1HG       LYS  40  10.732   1.793  14.373
  283   2HG   LYS  40          2HG       LYS  40   9.522   2.715  15.244
  284   1HD   LYS  40          1HD       LYS  40  11.556   3.137  16.948
  285   2HD   LYS  40          2HD       LYS  40  12.527   2.771  15.535
  286   1HE   LYS  40          1HE       LYS  40  11.204   4.523  14.248
  287   2HE   LYS  40          2HE       LYS  40  10.391   4.946  15.741
  288   1HZ   LYS  40          1HZ       LYS  40  13.008   5.683  14.892
  289   2HZ   LYS  40          2HZ       LYS  40  12.137   6.289  16.127
  290    H    GLU  41           H        GLU  41   7.434  -0.713  15.853
  291    HA   GLU  41           HA       GLU  41   6.944  -0.415  13.015
  292   1HB   GLU  41          1HB       GLU  41   5.543  -1.767  15.299
  293   2HB   GLU  41          2HB       GLU  41   4.535  -1.171  13.996
  294   1HG   GLU  41          1HG       GLU  41   5.245  -2.788  12.548
  295   2HG   GLU  41          2HG       GLU  41   6.927  -2.568  12.986
  296    H    ASP  42           H        ASP  42   7.409   1.994  13.308
  297    HA   ASP  42           HA       ASP  42   5.575   3.487  14.835
  298   1HB   ASP  42          1HB       ASP  42   6.564   5.416  13.398
  299   2HB   ASP  42          2HB       ASP  42   7.654   4.550  14.463
  300    H    TYR  43           H        TYR  43   3.795   4.811  14.011
  301    HA   TYR  43           HA       TYR  43   2.706   3.795  11.504
  302   1HB   TYR  43          1HB       TYR  43   1.659   5.576  13.793
  303   2HB   TYR  43          2HB       TYR  43   0.661   5.010  12.469
  304    HD1  TYR  43           HD1      TYR  43   2.658   2.294  12.901
  305    HD2  TYR  43           HD2      TYR  43  -0.369   4.440  15.032
  306    HE1  TYR  43           HE1      TYR  43   2.093   0.198  14.225
  307    HE2  TYR  43           HE2      TYR  43  -0.923   2.336  16.348
  308    HH   TYR  43           HH       TYR  43  -0.364  -0.507  15.517
  309    H    ARG  44           H        ARG  44   4.043   4.955   9.991
  310    HA   ARG  44           HA       ARG  44   3.412   7.798   9.988
  311   1HB   ARG  44          1HB       ARG  44   5.990   6.508  10.012
  312   2HB   ARG  44          2HB       ARG  44   5.797   7.237   8.430
  313   1HG   ARG  44          1HG       ARG  44   5.445   9.431   9.359
  314   2HG   ARG  44          2HG       ARG  44   5.168   8.794  10.968
  315   1HD   ARG  44          1HD       ARG  44   7.813   8.062   9.804
  316   2HD   ARG  44          2HD       ARG  44   7.592   9.781  10.065
  317    HE   ARG  44           HE       ARG  44   6.812   8.059  12.334
  318   1HH1  ARG  44          2HH2      ARG  44   9.358  10.042  10.870
  319   2HH1  ARG  44          1HH2      ARG  44  10.222  10.250  12.356
  320    HH2  ARG  44           HH1      ARG  44   9.378   9.237  14.357
  321    H    LYS  45           H        LYS  45   3.925   8.678   7.550
  322    HA   LYS  45           HA       LYS  45   2.202   7.101   5.872
  323   1HB   LYS  45          1HB       LYS  45   3.544   9.790   5.466
  324   2HB   LYS  45          2HB       LYS  45   2.432   9.053   4.331
  325   1HG   LYS  45          1HG       LYS  45   0.949  10.363   5.566
  326   2HG   LYS  45          2HG       LYS  45   0.836   8.853   6.449
  327   1HD   LYS  45          1HD       LYS  45   1.858   9.714   8.313
  328   2HD   LYS  45          2HD       LYS  45   3.059  10.582   7.377
  329   1HE   LYS  45          1HE       LYS  45   0.154  11.473   7.711
  330   2HE   LYS  45          2HE       LYS  45   1.497  12.104   8.642
  331   1HZ   LYS  45          1HZ       LYS  45   1.426  13.603   6.911
  332   2HZ   LYS  45          2HZ       LYS  45   2.464  12.540   6.243
  333    H    CYS  46           H        CYS  46   2.781   5.830   4.153
  334    HA   CYS  46           HA       CYS  46   5.364   4.865   4.022
  335   1HB   CYS  46          1HB       CYS  46   3.504   4.767   1.665
  336   2HB   CYS  46          2HB       CYS  46   4.667   3.573   2.206
  337    H    GLY  47           H        GLY  47   3.589   7.269   1.958
  338   1HA   GLY  47          1HA       GLY  47   5.892   7.828   0.335
  339   2HA   GLY  47          2HA       GLY  47   4.344   8.649   0.323
  340    H    THR  48           H        THR  48   6.856   8.115   2.902
  341    HA   THR  48           HA       THR  48   6.654  10.964   3.538
  342    HB   THR  48           HB       THR  48   7.449   8.421   4.972
  343    HG1  THR  48           HG1      THR  48   5.448   9.156   5.621
  344   1HG2  THR  48          1HG2      THR  48   8.726  11.090   5.322
  345   2HG2  THR  48          2HG2      THR  48   7.967  10.448   6.799
  346   3HG2  THR  48          3HG2      THR  48   9.226   9.507   5.964
  347    H    ALA  49           H        ALA  49   8.231  12.423   3.172
  348    HA   ALA  49           HA       ALA  49  10.213  11.881   1.331
  349   1HB   ALA  49          3HB       ALA  49   9.141  14.101   2.500
  350   2HB   ALA  49          1HB       ALA  49  10.734  14.051   3.294
  351   3HB   ALA  49          2HB       ALA  49  10.626  14.115   1.518
  352    H    GLY  50           H        GLY  50  11.808  10.386   1.561
  353   1HA   GLY  50          1HA       GLY  50  14.023  10.170   2.564
  354   2HA   GLY  50          2HA       GLY  50  13.273  10.385   4.133
  355    H    CYS  51           H        CYS  51  10.870   8.734   2.777
  356    HA   CYS  51           HA       CYS  51  12.052   6.167   3.520
  357   1HB   CYS  51          1HB       CYS  51   9.176   7.128   3.557
  358   2HB   CYS  51          2HB       CYS  51   9.637   5.456   3.805
  359    H    HIS  52           H        HIS  52   9.027   6.702   1.677
  360    HA   HIS  52           HA       HIS  52  10.315   5.368  -0.588
  361   1HB   HIS  52          1HB       HIS  52   7.438   5.371   0.354
  362   2HB   HIS  52          2HB       HIS  52   7.943   4.732  -1.197
  363    HD1  HIS  52           HD1      HIS  52   9.902   2.751  -0.983
  364    HD2  HIS  52           HD2      HIS  52   7.512   3.529   2.376
  365    HE1  HIS  52           HE1      HIS  52  10.104   0.705   0.528
  366    H    ASP  53           H        ASP  53  11.162   7.647  -1.035
  367    HA   ASP  53           HA       ASP  53   9.114   9.030  -2.575
  368   1HB   ASP  53          1HB       ASP  53  10.050  10.116  -0.319
  369   2HB   ASP  53          2HB       ASP  53  11.429  10.523  -1.321
  370    H    SER  54           H        SER  54  10.094   7.629  -4.344
  371    HA   SER  54           HA       SER  54  12.772   8.507  -5.066
  372   1HB   SER  54          1HB       SER  54  12.555   6.085  -4.860
  373   2HB   SER  54          2HB       SER  54  11.140   6.070  -5.894
  374    HG   SER  54           HG       SER  54  12.597   5.650  -7.424
  375    H    MET  55           H        MET  55   9.362   8.269  -6.115
  376    HA   MET  55           HA       MET  55   8.248   9.188  -7.738
  377   1HB   MET  55          1HB       MET  55  10.535  11.055  -7.292
  378   2HB   MET  55          2HB       MET  55   9.799  11.227  -8.873
  379   1HG   MET  55          1HG       MET  55   8.460  12.683  -7.621
  380   2HG   MET  55          2HG       MET  55   7.514  11.212  -7.513
  381   1HE   MET  55          3HE       MET  55   7.040   9.968  -5.883
  382   2HE   MET  55          1HE       MET  55   8.340   9.417  -4.799
  383   3HE   MET  55          2HE       MET  55   7.043  10.464  -4.173
  384    H    ASP  56           H        ASP  56   9.910   6.904  -8.368
  385    HA   ASP  56           HA       ASP  56  10.166   7.408 -11.207
  386   1HB   ASP  56          1HB       ASP  56  12.289   6.327  -9.341
  387   2HB   ASP  56          2HB       ASP  56  12.225   5.714 -10.981
  388    H    LYS  57           H        LYS  57   8.149   6.167 -11.368
  389    HA   LYS  57           HA       LYS  57   7.460   3.889 -10.123
  390   1HB   LYS  57          1HB       LYS  57   5.861   4.788 -11.538
  391   2HB   LYS  57          2HB       LYS  57   6.965   4.936 -12.890
  392   1HG   LYS  57          1HG       LYS  57   6.602   2.138 -11.969
  393   2HG   LYS  57          2HG       LYS  57   5.118   2.881 -12.533
  394   1HD   LYS  57          1HD       LYS  57   7.643   3.169 -14.185
  395   2HD   LYS  57          2HD       LYS  57   6.740   1.669 -14.252
  396   1HE   LYS  57          1HE       LYS  57   5.054   2.602 -15.485
  397   2HE   LYS  57          2HE       LYS  57   4.984   4.033 -14.476
  398   1HZ   LYS  57          1HZ       LYS  57   5.876   4.165 -16.934
  399   2HZ   LYS  57          2HZ       LYS  57   6.535   5.107 -15.781
  400    H    LYS  58           H        LYS  58   9.509   4.098 -13.112
  401    HA   LYS  58           HA       LYS  58  10.062   1.283 -12.956
  402   1HB   LYS  58          1HB       LYS  58  11.374   1.668 -14.972
  403   2HB   LYS  58          2HB       LYS  58   9.783   2.387 -15.119
  404   1HG   LYS  58          1HG       LYS  58  11.768   4.245 -13.952
  405   2HG   LYS  58          2HG       LYS  58  12.220   3.694 -15.553
  406   1HD   LYS  58          1HD       LYS  58  10.679   5.057 -16.503
  407   2HD   LYS  58          2HD       LYS  58   9.394   4.294 -15.588
  408   1HE   LYS  58          1HE       LYS  58  10.661   5.887 -13.663
  409   2HE   LYS  58          2HE       LYS  58  10.763   6.873 -15.108
  410   1HZ   LYS  58          1HZ       LYS  58   8.392   6.049 -13.640
  411   2HZ   LYS  58          2HZ       LYS  58   8.656   7.421 -14.476
  412    H    ASP  59           H        ASP  59  10.737   2.014 -10.521
  413    HA   ASP  59           HA       ASP  59  13.628   2.362 -10.681
  414   1HB   ASP  59          1HB       ASP  59  12.573   4.307  -9.600
  415   2HB   ASP  59          2HB       ASP  59  11.663   3.263  -8.526
  416    H    LYS  60           H        LYS  60  10.915   1.209  -8.523
  417    HA   LYS  60           HA       LYS  60  10.663  -0.598  -7.282
  418   1HB   LYS  60          1HB       LYS  60  12.751  -1.904  -9.050
  419   2HB   LYS  60          2HB       LYS  60  11.567  -2.717  -8.047
  420   1HG   LYS  60          1HG       LYS  60  10.282  -2.737  -9.939
  421   2HG   LYS  60          2HG       LYS  60   9.920  -1.074  -9.520
  422   1HD   LYS  60          1HD       LYS  60  10.773  -0.525 -11.558
  423   2HD   LYS  60          2HD       LYS  60  12.351  -0.815 -10.854
  424   1HE   LYS  60          1HE       LYS  60  12.252  -2.142 -12.867
  425   2HE   LYS  60          2HE       LYS  60  12.120  -3.267 -11.529
  426   1HZ   LYS  60          1HZ       LYS  60   9.562  -2.821 -11.902
  427   2HZ   LYS  60          2HZ       LYS  60  10.035  -2.429 -13.410
  428    H    SER  61           H        SER  61  13.137  -2.529  -6.911
  429    HA   SER  61           HA       SER  61  14.832  -2.751  -5.562
  430   1HB   SER  61          1HB       SER  61  14.971   0.279  -5.256
  431   2HB   SER  61          2HB       SER  61  16.245  -0.869  -4.896
  432    HG   SER  61           HG       SER  61  16.340   0.300  -7.037
  433    H    ALA  62           H        ALA  62  13.313   0.286  -4.239
  434    HA   ALA  62           HA       ALA  62  11.771  -0.972  -2.304
  435   1HB   ALA  62          1HB       ALA  62  14.331  -1.438  -1.635
  436   2HB   ALA  62          2HB       ALA  62  14.161   0.184  -0.921
  437   3HB   ALA  62          3HB       ALA  62  13.072  -1.130  -0.414
  438    H    LYS  63           H        LYS  63  13.929   1.805  -3.104
  439    HA   LYS  63           HA       LYS  63  12.425   3.692  -1.651
  440   1HB   LYS  63          1HB       LYS  63  13.719   5.334  -3.052
  441   2HB   LYS  63          2HB       LYS  63  14.689   4.195  -2.140
  442   1HG   LYS  63          1HG       LYS  63  15.505   3.175  -4.027
  443   2HG   LYS  63          2HG       LYS  63  13.954   3.211  -4.842
  444   1HD   LYS  63          1HD       LYS  63  14.909   4.822  -6.153
  445   2HD   LYS  63          2HD       LYS  63  14.562   5.898  -4.814
  446   1HE   LYS  63          1HE       LYS  63  16.933   4.894  -3.932
  447   2HE   LYS  63          2HE       LYS  63  17.184   4.693  -5.655
  448   1HZ   LYS  63          1HZ       LYS  63  16.330   7.155  -5.717
  449   2HZ   LYS  63          2HZ       LYS  63  16.796   7.190  -4.157
  450    H    GLY  64           H        GLY  64  11.691   1.862  -4.429
  451   1HA   GLY  64          1HA       GLY  64  10.222   3.839  -5.888
  452   2HA   GLY  64          2HA       GLY  64  10.204   2.102  -6.118
  453    H    TYR  65           H        TYR  65   8.649   4.860  -4.586
  454    HA   TYR  65           HA       TYR  65   7.064   3.630  -2.697
  455   1HB   TYR  65          1HB       TYR  65   7.254   6.081  -3.059
  456   2HB   TYR  65          2HB       TYR  65   6.672   5.928  -4.705
  457    HD1  TYR  65           HD1      TYR  65   5.523   5.136  -1.215
  458    HD2  TYR  65           HD2      TYR  65   4.468   6.518  -5.124
  459    HE1  TYR  65           HE1      TYR  65   3.149   5.585  -0.424
  460    HE2  TYR  65           HE2      TYR  65   2.098   6.962  -4.320
  461    HH   TYR  65           HH       TYR  65   0.695   5.727  -2.086
  462    H    TYR  66           H        TYR  66   6.525   4.029  -6.252
  463    HA   TYR  66           HA       TYR  66   3.952   2.798  -6.137
  464   1HB   TYR  66          1HB       TYR  66   4.385   4.337  -7.941
  465   2HB   TYR  66          2HB       TYR  66   6.020   3.749  -8.165
  466    HD1  TYR  66           HD1      TYR  66   6.350   1.448  -9.241
  467    HD2  TYR  66           HD2      TYR  66   2.603   3.513  -9.265
  468    HE1  TYR  66           HE1      TYR  66   5.558   0.004 -11.179
  469    HE2  TYR  66           HE2      TYR  66   1.824   2.063 -11.202
  470    HH   TYR  66           HH       TYR  66   2.341  -0.176 -12.093
  471    H    HIS  67           H        HIS  67   6.970   1.513  -5.591
  472    HA   HIS  67           HA       HIS  67   6.424  -0.923  -7.095
  473   1HB   HIS  67          1HB       HIS  67   8.608  -0.562  -7.521
  474   2HB   HIS  67          2HB       HIS  67   8.839   0.442  -6.103
  475    HD1  HIS  67           HD1      HIS  67   9.219  -3.052  -7.348
  476    HD2  HIS  67           HD2      HIS  67   9.488  -1.003  -3.697
  477    HE1  HIS  67           HE1      HIS  67  10.398  -4.631  -5.727
  478    H    VAL  68           H        VAL  68   6.243   0.522  -3.922
  479    HA   VAL  68           HA       VAL  68   6.106  -2.105  -2.658
  480    HB   VAL  68           HB       VAL  68   5.903  -0.596  -0.584
  481   1HG1  VAL  68          2HG1      VAL  68   7.936  -1.903  -1.433
  482   2HG1  VAL  68          3HG1      VAL  68   8.522  -0.352  -2.079
  483   3HG1  VAL  68          1HG1      VAL  68   8.250  -0.542  -0.330
  484   1HG2  VAL  68          2HG2      VAL  68   5.375   1.463  -1.960
  485   2HG2  VAL  68          3HG2      VAL  68   6.659   1.661  -0.742
  486   3HG2  VAL  68          1HG2      VAL  68   7.084   1.471  -2.460
  487    H    MET  69           H        MET  69   4.096  -0.441  -4.537
  488    HA   MET  69           HA       MET  69   1.826  -0.875  -2.752
  489   1HB   MET  69          1HB       MET  69   2.107   1.035  -5.140
  490   2HB   MET  69          2HB       MET  69   0.659   0.863  -4.169
  491   1HG   MET  69          1HG       MET  69   3.338   1.620  -2.926
  492   2HG   MET  69          2HG       MET  69   2.251   2.829  -3.581
  493   1HE   MET  69          3HE       MET  69   3.454   1.384  -0.628
  494   2HE   MET  69          1HE       MET  69   2.986   3.099  -0.528
  495   3HE   MET  69          2HE       MET  69   2.239   1.907   0.563
  496    H    HIS  70           H        HIS  70   3.492  -1.879  -5.589
  497    HA   HIS  70           HA       HIS  70   1.142  -3.432  -6.364
  498   1HB   HIS  70          1HB       HIS  70   3.048  -2.280  -8.403
  499   2HB   HIS  70          2HB       HIS  70   1.500  -3.056  -8.677
  500    HD1  HIS  70           HD1      HIS  70   2.930   0.155  -7.182
  501    HD2  HIS  70           HD2      HIS  70  -0.662  -1.343  -8.746
  502    HE1  HIS  70           HE1      HIS  70   1.340   2.144  -7.352
  503    H    ASP  71           H        ASP  71   4.678  -3.026  -7.137
  504    HA   ASP  71           HA       ASP  71   5.316  -5.435  -7.924
  505   1HB   ASP  71          1HB       ASP  71   6.732  -3.294  -6.982
  506   2HB   ASP  71          2HB       ASP  71   7.056  -4.436  -5.693
  507    H    LYS  72           H        LYS  72   5.396  -7.559  -7.083
  508    HA   LYS  72           HA       LYS  72   4.503  -7.848  -4.315
  509   1HB   LYS  72          1HB       LYS  72   4.607 -10.010  -6.424
  510   2HB   LYS  72          2HB       LYS  72   3.702  -9.999  -4.924
  511   1HG   LYS  72          1HG       LYS  72   2.301  -8.119  -5.757
  512   2HG   LYS  72          2HG       LYS  72   3.233  -8.061  -7.240
  513   1HD   LYS  72          1HD       LYS  72   2.559 -10.672  -7.340
  514   2HD   LYS  72          2HD       LYS  72   1.234 -10.126  -6.331
  515   1HE   LYS  72          1HE       LYS  72   0.311  -9.806  -8.455
  516   2HE   LYS  72          2HE       LYS  72   0.981  -8.215  -8.157
  517   1HZ   LYS  72          1HZ       LYS  72   1.634  -9.903 -10.251
  518   2HZ   LYS  72          2HZ       LYS  72   2.368  -8.497  -9.886
  519    H    ASN  73           H        ASN  73   7.168  -8.498  -6.580
  520    HA   ASN  73           HA       ASN  73   8.493 -10.313  -4.927
  521   1HB   ASN  73          1HB       ASN  73   9.155  -8.644  -7.339
  522   2HB   ASN  73          2HB       ASN  73  10.526  -9.189  -6.393
  523   1HD2  ASN  73          2HD2      ASN  73  10.489 -12.464  -7.503
  524   2HD2  ASN  73          1HD2      ASN  73  11.252 -11.185  -6.618
  525    H    THR  74           H        THR  74   7.990  -8.822  -2.899
  526    HA   THR  74           HA       THR  74  10.324  -7.080  -2.495
  527    HB   THR  74           HB       THR  74   8.776  -5.536  -1.244
  528    HG1  THR  74           HG1      THR  74   7.195  -7.311  -0.852
  529   1HG2  THR  74          3HG2      THR  74   9.079  -5.549  -3.945
  530   2HG2  THR  74          1HG2      THR  74   7.346  -5.946  -3.863
  531   3HG2  THR  74          2HG2      THR  74   7.949  -4.439  -3.132
  532    H    LYS  75           H        LYS  75  11.070  -6.916  -0.296
  533    HA   LYS  75           HA       LYS  75  11.002  -9.409   0.997
  534   1HB   LYS  75          1HB       LYS  75  12.963  -8.052   1.136
  535   2HB   LYS  75          2HB       LYS  75  12.071  -6.690   1.783
  536   1HG   LYS  75          1HG       LYS  75  11.417  -8.347   3.731
  537   2HG   LYS  75          2HG       LYS  75  12.762  -9.310   3.152
  538   1HD   LYS  75          1HD       LYS  75  12.988  -6.358   3.905
  539   2HD   LYS  75          2HD       LYS  75  13.362  -7.674   5.001
  540   1HE   LYS  75          1HE       LYS  75  14.934  -8.501   3.014
  541   2HE   LYS  75          2HE       LYS  75  14.824  -6.833   2.487
  542   1HZ   LYS  75          1HZ       LYS  75  16.595  -7.667   4.300
  543   2HZ   LYS  75          2HZ       LYS  75  16.050  -6.133   4.260
  544    H    PHE  76           H        PHE  76   8.972  -6.543   1.142
  545    HA   PHE  76           HA       PHE  76   7.630  -7.693   3.496
  546   1HB   PHE  76          1HB       PHE  76   7.862  -4.852   2.321
  547   2HB   PHE  76          2HB       PHE  76   6.835  -5.234   3.688
  548    HD1  PHE  76           HD2      PHE  76   8.112  -6.487   5.695
  549    HD2  PHE  76           HD1      PHE  76   9.980  -4.005   2.753
  550    HE1  PHE  76           HE2      PHE  76  10.066  -6.081   7.269
  551    HE2  PHE  76           HE1      PHE  76  11.929  -3.607   4.337
  552    HZ   PHE  76           HZ       PHE  76  11.888  -4.732   6.616
  553    H    LYS  77           H        LYS  77   5.263  -7.522   3.545
  554    HA   LYS  77           HA       LYS  77   4.129  -8.293   1.097
  555   1HB   LYS  77          1HB       LYS  77   2.915  -7.514   3.760
  556   2HB   LYS  77          2HB       LYS  77   1.973  -8.110   2.409
  557   1HG   LYS  77          1HG       LYS  77   3.110 -10.240   2.416
  558   2HG   LYS  77          2HG       LYS  77   4.381  -9.645   3.466
  559   1HD   LYS  77          1HD       LYS  77   2.805  -9.429   5.345
  560   2HD   LYS  77          2HD       LYS  77   1.452  -9.840   4.309
  561   1HE   LYS  77          1HE       LYS  77   3.727 -11.806   4.407
  562   2HE   LYS  77          2HE       LYS  77   2.732 -11.679   5.844
  563   1HZ   LYS  77          1HZ       LYS  77   0.870 -12.419   4.697
  564   2HZ   LYS  77          2HZ       LYS  77   1.396 -11.932   3.235
  565    H    SER  78           H        SER  78   3.315  -7.130  -0.570
  566    HA   SER  78           HA       SER  78   3.220  -4.263  -0.162
  567   1HB   SER  78          1HB       SER  78   4.012  -4.107  -2.276
  568   2HB   SER  78          2HB       SER  78   4.256  -5.841  -2.220
  569    HG   SER  78           HG       SER  78   2.993  -5.258  -4.069
  570    H    CYS  79           H        CYS  79   1.371  -3.058  -1.306
  571    HA   CYS  79           HA       CYS  79  -1.035  -3.773  -0.305
  572   1HB   CYS  79          1HB       CYS  79  -0.617  -2.247  -2.882
  573   2HB   CYS  79          2HB       CYS  79  -2.037  -2.198  -1.857
  574    H    VAL  80           H        VAL  80  -0.120  -4.065  -3.824
  575    HA   VAL  80           HA       VAL  80  -2.260  -5.774  -4.423
  576    HB   VAL  80           HB       VAL  80   0.372  -5.259  -5.822
  577   1HG1  VAL  80          3HG1      VAL  80  -2.048  -6.858  -6.610
  578   2HG1  VAL  80          1HG1      VAL  80  -1.126  -5.983  -7.855
  579   3HG1  VAL  80          2HG1      VAL  80  -0.320  -7.213  -6.852
  580   1HG2  VAL  80          2HG2      VAL  80  -1.241  -3.314  -5.385
  581   2HG2  VAL  80          3HG2      VAL  80  -0.732  -3.587  -7.069
  582   3HG2  VAL  80          1HG2      VAL  80  -2.341  -4.123  -6.528
  583    H    GLY  81           H        GLY  81   1.121  -6.320  -3.360
  584   1HA   GLY  81          1HA       GLY  81   1.437  -8.991  -3.900
  585   2HA   GLY  81          2HA       GLY  81   2.110  -8.156  -2.515
  586    H    CYS  82           H        CYS  82   0.167  -7.580  -0.789
  587    HA   CYS  82           HA       CYS  82  -0.553 -10.066   0.249
  588   1HB   CYS  82          1HB       CYS  82  -0.176  -8.046   1.624
  589   2HB   CYS  82          2HB       CYS  82  -1.628  -7.318   0.966
  590    H    HIS  83           H        HIS  83  -2.361  -7.483  -1.535
  591    HA   HIS  83           HA       HIS  83  -4.876  -8.553  -1.364
  592   1HB   HIS  83          1HB       HIS  83  -3.474  -6.844  -3.401
  593   2HB   HIS  83          2HB       HIS  83  -5.109  -7.397  -3.707
  594    HD1  HIS  83           HD1      HIS  83  -6.023  -4.953  -3.541
  595    HD2  HIS  83           HD2      HIS  83  -4.210  -6.367  -0.033
  596    HE1  HIS  83           HE1      HIS  83  -6.656  -3.308  -1.697
  597    H    VAL  84           H        VAL  84  -2.208  -9.308  -3.673
  598    HA   VAL  84           HA       VAL  84  -3.643 -10.974  -5.352
  599    HB   VAL  84           HB       VAL  84  -0.743 -10.985  -4.502
  600   1HG1  VAL  84          3HG1      VAL  84  -1.969 -13.088  -5.739
  601   2HG1  VAL  84          1HG1      VAL  84  -1.457 -12.114  -7.139
  602   3HG1  VAL  84          2HG1      VAL  84  -0.255 -12.654  -5.942
  603   1HG2  VAL  84          3HG2      VAL  84  -2.250  -9.169  -6.057
  604   2HG2  VAL  84          1HG2      VAL  84  -0.482  -9.232  -5.855
  605   3HG2  VAL  84          2HG2      VAL  84  -1.257 -10.103  -7.201
  606    H    GLU  85           H        GLU  85  -2.119 -11.564  -2.157
  607    HA   GLU  85           HA       GLU  85  -2.563 -14.352  -2.304
  608   1HB   GLU  85          1HB       GLU  85  -1.434 -12.410  -0.374
  609   2HB   GLU  85          2HB       GLU  85  -2.247 -13.759   0.394
  610   1HG   GLU  85          1HG       GLU  85  -0.662 -14.775  -1.811
  611   2HG   GLU  85          2HG       GLU  85   0.349 -13.728  -0.835
  612    H    VAL  86           H        VAL  86  -4.349 -11.505  -1.114
  613    HA   VAL  86           HA       VAL  86  -6.242 -13.019   0.377
  614    HB   VAL  86           HB       VAL  86  -6.270 -10.190  -0.693
  615   1HG1  VAL  86          3HG1      VAL  86  -8.535 -11.243  -0.134
  616   2HG1  VAL  86          1HG1      VAL  86  -7.979 -11.274   1.556
  617   3HG1  VAL  86          2HG1      VAL  86  -8.125  -9.723   0.695
  618   1HG2  VAL  86          3HG2      VAL  86  -4.457 -10.969   0.996
  619   2HG2  VAL  86          1HG2      VAL  86  -5.372  -9.481   1.342
  620   3HG2  VAL  86          2HG2      VAL  86  -5.793 -10.998   2.172
  621    H    ALA  87           H        ALA  87  -6.274 -11.352  -2.849
  622    HA   ALA  87           HA       ALA  87  -8.857 -12.235  -3.510
  623   1HB   ALA  87          2HB       ALA  87  -7.694 -10.298  -4.536
  624   2HB   ALA  87          3HB       ALA  87  -6.533 -11.411  -5.298
  625   3HB   ALA  87          1HB       ALA  87  -8.250 -11.462  -5.762
  626    H    GLY  88           H        GLY  88  -5.611 -13.680  -3.726
  627   1HA   GLY  88          1HA       GLY  88  -4.892 -15.662  -4.528
  628   2HA   GLY  88          2HA       GLY  88  -6.373 -16.282  -3.827
  629    H    ALA  89           H        ALA  89  -8.037 -17.009  -5.155
  630    HA   ALA  89           HA       ALA  89  -7.771 -16.401  -8.012
  631   1HB   ALA  89          2HB       ALA  89  -8.234 -19.128  -6.738
  632   2HB   ALA  89          3HB       ALA  89  -8.327 -18.782  -8.482
  633   3HB   ALA  89          1HB       ALA  89  -6.779 -18.607  -7.621
  634    H    ASP  90           H        ASP  90  -9.409 -14.752  -7.013
  635    HA   ASP  90           HA       ASP  90 -12.005 -16.065  -6.860
  636   1HB   ASP  90          1HB       ASP  90 -11.455 -14.757  -4.856
  637   2HB   ASP  90          2HB       ASP  90 -11.033 -13.362  -5.829
  638    H    ALA  91           H        ALA  91  -9.955 -13.565  -8.386
  639    HA   ALA  91           HA       ALA  91 -10.135 -12.652 -10.424
  640   1HB   ALA  91          2HB       ALA  91 -11.975 -14.705 -10.636
  641   2HB   ALA  91          3HB       ALA  91 -12.968 -13.266 -10.967
  642   3HB   ALA  91          1HB       ALA  91 -11.519 -13.593 -11.948
  643    H    ALA  92           H        ALA  92 -13.580 -12.444  -9.315
  644    HA   ALA  92           HA       ALA  92 -13.986  -9.833  -9.834
  645   1HB   ALA  92          1HB       ALA  92 -14.993 -11.625  -7.604
  646   2HB   ALA  92          2HB       ALA  92 -15.608  -9.970  -7.834
  647   3HB   ALA  92          3HB       ALA  92 -15.806 -11.180  -9.124
  648    H    LYS  93           H        LYS  93 -12.294 -11.257  -6.999
  649    HA   LYS  93           HA       LYS  93 -11.956  -8.664  -5.797
  650   1HB   LYS  93          1HB       LYS  93 -11.049 -11.458  -5.077
  651   2HB   LYS  93          2HB       LYS  93 -10.533 -10.045  -4.180
  652   1HG   LYS  93          1HG       LYS  93 -12.897  -9.441  -3.715
  653   2HG   LYS  93          2HG       LYS  93 -13.453 -10.795  -4.680
  654   1HD   LYS  93          1HD       LYS  93 -12.064 -12.303  -3.085
  655   2HD   LYS  93          2HD       LYS  93 -11.922 -10.897  -2.048
  656   1HE   LYS  93          1HE       LYS  93 -14.404 -10.723  -1.912
  657   2HE   LYS  93          2HE       LYS  93 -14.573 -12.092  -2.993
  658   1HZ   LYS  93          1HZ       LYS  93 -14.342 -13.439  -1.228
  659   2HZ   LYS  93          2HZ       LYS  93 -12.869 -12.838  -0.880
  660    H    LYS  94           H        LYS  94 -10.121 -10.970  -7.819
  661    HA   LYS  94           HA       LYS  94  -7.625  -9.724  -7.496
  662   1HB   LYS  94          1HB       LYS  94  -8.269 -12.066  -8.435
  663   2HB   LYS  94          2HB       LYS  94  -8.458 -11.235  -9.966
  664   1HG   LYS  94          1HG       LYS  94  -6.206 -11.038 -10.255
  665   2HG   LYS  94          2HG       LYS  94  -5.971 -10.427  -8.629
  666   1HD   LYS  94          1HD       LYS  94  -5.436 -12.495  -7.781
  667   2HD   LYS  94          2HD       LYS  94  -6.656 -13.317  -8.733
  668   1HE   LYS  94          1HE       LYS  94  -5.092 -13.971 -10.239
  669   2HE   LYS  94          2HE       LYS  94  -4.658 -12.303 -10.555
  670   1HZ   LYS  94          1HZ       LYS  94  -3.043 -14.108  -9.336
  671   2HZ   LYS  94          2HZ       LYS  94  -2.837 -12.495  -9.250
  672    H    LYS  95           H        LYS  95 -10.513  -8.575  -8.851
  673    HA   LYS  95           HA       LYS  95  -9.004  -6.741 -10.582
  674   1HB   LYS  95          1HB       LYS  95 -11.045  -8.446 -11.319
  675   2HB   LYS  95          2HB       LYS  95 -11.902  -6.943 -11.040
  676   1HG   LYS  95          1HG       LYS  95 -10.699  -5.780 -12.703
  677   2HG   LYS  95          2HG       LYS  95  -9.321  -6.859 -12.613
  678   1HD   LYS  95          1HD       LYS  95 -11.842  -8.205 -13.431
  679   2HD   LYS  95          2HD       LYS  95 -11.309  -6.966 -14.550
  680   1HE   LYS  95          1HE       LYS  95 -10.126  -8.809 -15.368
  681   2HE   LYS  95          2HE       LYS  95  -8.933  -8.128 -14.280
  682   1HZ   LYS  95          1HZ       LYS  95  -9.128 -10.459 -13.813
  683   2HZ   LYS  95          2HZ       LYS  95  -9.813  -9.692 -12.550
  684    H    ASP  96           H        ASP  96 -10.646  -7.132  -7.628
  685    HA   ASP  96           HA       ASP  96 -11.313  -4.295  -7.618
  686   1HB   ASP  96          1HB       ASP  96 -12.682  -6.682  -6.631
  687   2HB   ASP  96          2HB       ASP  96 -12.393  -5.570  -5.307
  688    H    LEU  97           H        LEU  97  -8.984  -6.549  -6.734
  689    HA   LEU  97           HA       LEU  97  -8.247  -5.003  -4.347
  690   1HB   LEU  97          1HB       LEU  97  -8.027  -7.965  -4.864
  691   2HB   LEU  97          2HB       LEU  97  -7.106  -7.148  -3.617
  692    HG   LEU  97           HG       LEU  97 -10.090  -7.547  -3.787
  693   1HD1  LEU  97          2HD1      LEU  97  -8.645  -9.312  -2.779
  694   2HD1  LEU  97          3HD1      LEU  97  -8.140  -8.132  -1.546
  695   3HD1  LEU  97          1HD1      LEU  97  -9.847  -8.624  -1.660
  696   1HD2  LEU  97          1HD2      LEU  97  -8.579  -5.479  -2.205
  697   2HD2  LEU  97          2HD2      LEU  97 -10.068  -5.304  -3.166
  698   3HD2  LEU  97          3HD2      LEU  97 -10.109  -6.163  -1.607
  699    H    THR  98           H        THR  98  -7.121  -6.968  -7.165
  700    HA   THR  98           HA       THR  98  -4.635  -5.385  -7.084
  701    HB   THR  98           HB       THR  98  -3.497  -7.356  -7.898
  702    HG1  THR  98           HG1      THR  98  -6.221  -8.432  -8.105
  703   1HG2  THR  98          1HG2      THR  98  -5.683  -8.271  -5.954
  704   2HG2  THR  98          2HG2      THR  98  -4.233  -9.217  -6.365
  705   3HG2  THR  98          3HG2      THR  98  -4.070  -7.668  -5.503
  706    H    GLY  99           H        GLY  99  -7.468  -5.037  -8.389
  707   1HA   GLY  99          1HA       GLY  99  -7.153  -5.296 -11.167
  708   2HA   GLY  99          2HA       GLY  99  -8.271  -4.238 -10.330
  709    H    CYS 100           H        CYS 100  -6.719  -3.674 -12.788
  710    HA   CYS 100           HA       CYS 100  -4.720  -1.788 -11.884
  711   1HB   CYS 100          1HB       CYS 100  -5.438  -3.065 -14.468
  712   2HB   CYS 100          2HB       CYS 100  -4.759  -1.452 -14.550
  713    H    LYS 101           H        LYS 101  -7.808  -1.918 -13.796
  714    HA   LYS 101           HA       LYS 101  -8.254   0.871 -13.007
  715   1HB   LYS 101          1HB       LYS 101  -7.517   0.934 -15.304
  716   2HB   LYS 101          2HB       LYS 101  -8.629  -0.342 -15.758
  717   1HG   LYS 101          1HG       LYS 101  -9.769   2.126 -14.445
  718   2HG   LYS 101          2HG       LYS 101  -9.243   2.251 -16.112
  719   1HD   LYS 101          1HD       LYS 101 -10.910  -0.149 -15.457
  720   2HD   LYS 101          2HD       LYS 101 -11.736   1.394 -15.366
  721   1HE   LYS 101          1HE       LYS 101 -12.035   1.107 -17.622
  722   2HE   LYS 101          2HE       LYS 101 -10.397   1.719 -17.740
  723   1HZ   LYS 101          1HZ       LYS 101 -11.090  -0.629 -18.741
  724   2HZ   LYS 101          2HZ       LYS 101  -9.584  -0.364 -18.182
  725    H    LYS 102           H        LYS 102 -10.353   1.367 -12.359
  726    HA   LYS 102           HA       LYS 102 -12.442   1.029 -11.720
  727   1HB   LYS 102          1HB       LYS 102 -12.824   0.270 -14.049
  728   2HB   LYS 102          2HB       LYS 102 -12.443  -1.372 -13.572
  729   1HG   LYS 102          1HG       LYS 102 -14.363  -1.522 -12.132
  730   2HG   LYS 102          2HG       LYS 102 -14.609   0.213 -12.139
  731   1HD   LYS 102          1HD       LYS 102 -16.270  -0.654 -13.626
  732   2HD   LYS 102          2HD       LYS 102 -15.039   0.031 -14.669
  733   1HE   LYS 102          1HE       LYS 102 -15.322  -2.046 -15.692
  734   2HE   LYS 102          2HE       LYS 102 -14.012  -2.428 -14.591
  735   1HZ   LYS 102          1HZ       LYS 102 -15.681  -4.086 -14.300
  736   2HZ   LYS 102          2HZ       LYS 102 -15.797  -3.145 -12.976
  737    H    SER 103           H        SER 103 -10.372   0.279 -10.046
  738    HA   SER 103           HA       SER 103 -11.440  -2.182  -8.898
  739   1HB   SER 103          1HB       SER 103  -8.948  -1.898  -7.740
  740   2HB   SER 103          2HB       SER 103  -9.306  -2.931  -9.109
  741    HG   SER 103           HG       SER 103  -8.467  -0.164  -9.312
  742    H    LYS 104           H        LYS 104 -10.321  -2.064  -6.348
  743    HA   LYS 104           HA       LYS 104 -11.924  -0.025  -5.164
  744   1HB   LYS 104          1HB       LYS 104 -10.077  -2.135  -4.015
  745   2HB   LYS 104          2HB       LYS 104 -11.010  -1.024  -3.032
  746   1HG   LYS 104          1HG       LYS 104 -12.463  -2.559  -5.186
  747   2HG   LYS 104          2HG       LYS 104 -11.975  -3.432  -3.747
  748   1HD   LYS 104          1HD       LYS 104 -13.079  -1.040  -2.741
  749   2HD   LYS 104          2HD       LYS 104 -14.125  -1.451  -4.085
  750   1HE   LYS 104          1HE       LYS 104 -13.333  -3.488  -1.957
  751   2HE   LYS 104          2HE       LYS 104 -14.747  -2.465  -1.794
  752   1HZ   LYS 104          1HZ       LYS 104 -15.703  -4.188  -2.916
  753   2HZ   LYS 104          2HZ       LYS 104 -15.139  -3.437  -4.247
  754    H    CYS 105           H        CYS 105  -8.510  -0.474  -6.015
  755    HA   CYS 105           HA       CYS 105  -7.683   1.732  -4.377
  756   1HB   CYS 105          1HB       CYS 105  -6.129   0.194  -6.484
  757   2HB   CYS 105          2HB       CYS 105  -5.459   1.328  -5.327
  758    H    HIS 106           H        HIS 106  -7.578   0.973  -7.945
  759    HA   HIS 106           HA       HIS 106  -7.687   3.841  -8.441
  760   1HB   HIS 106          1HB       HIS 106  -6.991   1.513 -10.252
  761   2HB   HIS 106          2HB       HIS 106  -7.038   3.189 -10.761
  762    HD1  HIS 106           HD1      HIS 106  -5.447   4.763  -8.885
  763    HD2  HIS 106           HD2      HIS 106  -4.427   0.783  -9.729
  764    HE1  HIS 106           HE1      HIS 106  -2.983   4.511  -8.272
  765    H    GLU 107           H        GLU 107  -9.341   4.810  -9.663
  766    HA   GLU 107           HA       GLU 107 -11.624   3.044 -10.078
  767   1HB   GLU 107          1HB       GLU 107 -13.052   5.021  -9.741
  768   2HB   GLU 107          2HB       GLU 107 -11.995   4.790  -8.362
  769   1HG   GLU 107          1HG       GLU 107 -10.498   6.557  -9.097
  770   2HG   GLU 107          2HG       GLU 107 -11.275   6.654 -10.665
  771    HHA  HEC 108           HHA      HEC 108  -0.888   6.637   7.487
  772    HHB  HEC 108           HHB      HEC 108  -1.661   3.991  13.276
  773    HHC  HEC 108           HHC      HEC 108  -2.567  -1.737  10.557
  774    HHD  HEC 108           HHD      HEC 108  -1.175   0.831   4.786
  775   1HMA  HEC 108          1HMA      HEC 108  -1.741   6.048  13.482
  776   2HMA  HEC 108          2HMA      HEC 108  -0.141   6.729  13.102
  777   3HMA  HEC 108          3HMA      HEC 108  -1.616   7.628  12.674
  778   1HAA  HEC 108          1HAA      HEC 108  -0.241   7.998   8.896
  779   2HAA  HEC 108          2HAA      HEC 108  -1.635   8.511   9.876
  780   1HBA  HEC 108          1HBA      HEC 108   0.527   7.910  11.641
  781   2HBA  HEC 108          2HBA      HEC 108   1.126   8.967  10.339
  782   1HMB  HEC 108          1HMB      HEC 108  -3.751   1.797  14.732
  783   2HMB  HEC 108          2HMB      HEC 108  -2.197   1.050  15.171
  784   3HMB  HEC 108          3HMB      HEC 108  -2.258   2.765  14.697
  785    HAB  HEC 108           HAB      HEC 108  -3.321  -1.838  12.402
  786   1HBB  HEC 108          1HBB      HEC 108  -4.185  -1.157  15.034
  787   2HBB  HEC 108          2HBB      HEC 108  -4.752   0.099  13.907
  788   3HBB  HEC 108          3HBB      HEC 108  -5.157  -1.609  13.613
  789   1HMC  HEC 108          1HMC      HEC 108  -3.392  -3.395   7.353
  790   2HMC  HEC 108          2HMC      HEC 108  -1.763  -3.670   8.017
  791   3HMC  HEC 108          3HMC      HEC 108  -3.074  -3.105   9.081
  792    HAC  HEC 108           HAC      HEC 108  -2.056  -1.049   4.449
  793   1HBC  HEC 108          1HBC      HEC 108  -3.095  -3.044   3.998
  794   2HBC  HEC 108          2HBC      HEC 108  -2.524  -3.813   5.498
  795   3HBC  HEC 108          3HBC      HEC 108  -3.840  -2.616   5.557
  796   1HMD  HEC 108          1HMD      HEC 108  -1.476   3.075   3.000
  797   2HMD  HEC 108          2HMD      HEC 108   0.093   3.916   3.041
  798   3HMD  HEC 108          3HMD      HEC 108  -0.004   2.190   3.467
  799   1HAD  HEC 108          1HAD      HEC 108  -0.647   6.865   5.491
  800   2HAD  HEC 108          2HAD      HEC 108   0.781   6.100   4.755
  801   1HBD  HEC 108          1HBD      HEC 108  -1.527   5.361   3.238
  802   2HBD  HEC 108          2HBD      HEC 108  -1.533   7.124   3.482
  803    HHA  HEC 109           HHA      HEC 109  11.688  -2.226   1.653
  804    HHB  HEC 109           HHB      HEC 109   5.323  -1.555   1.264
  805    HHC  HEC 109           HHC      HEC 109   5.578   3.326   5.411
  806    HHD  HEC 109           HHD      HEC 109  12.051   3.295   4.895
  807   1HMA  HEC 109          1HMA      HEC 109   7.329  -4.190  -0.573
  808   2HMA  HEC 109          2HMA      HEC 109   6.329  -4.250   0.898
  809   3HMA  HEC 109          3HMA      HEC 109   6.045  -2.984  -0.321
  810   1HAA  HEC 109          1HAA      HEC 109  10.961  -3.885   0.780
  811   2HAA  HEC 109          2HAA      HEC 109   9.508  -4.836   0.387
  812   1HBA  HEC 109          1HBA      HEC 109   9.295  -3.513  -1.719
  813   2HBA  HEC 109          2HBA      HEC 109  10.854  -2.745  -1.336
  814   1HMB  HEC 109          1HMB      HEC 109   3.429  -0.896   1.562
  815   2HMB  HEC 109          2HMB      HEC 109   2.830  -1.106   3.226
  816   3HMB  HEC 109          3HMB      HEC 109   2.392   0.350   2.300
  817    HAB  HEC 109           HAB      HEC 109   3.685   2.768   5.277
  818   1HBB  HEC 109          1HBB      HEC 109   1.279   1.445   4.807
  819   2HBB  HEC 109          2HBB      HEC 109   2.495   0.150   4.915
  820   3HBB  HEC 109          3HBB      HEC 109   2.317   1.316   6.247
  821   1HMC  HEC 109          1HMC      HEC 109   6.579   5.507   5.890
  822   2HMC  HEC 109          2HMC      HEC 109   6.970   4.728   7.442
  823   3HMC  HEC 109          3HMC      HEC 109   7.996   6.044   6.823
  824    HAC  HEC 109           HAC      HEC 109  11.584   4.847   5.987
  825   1HBC  HEC 109          1HBC      HEC 109   9.496   5.341   8.108
  826   2HBC  HEC 109          2HBC      HEC 109  11.016   4.423   8.229
  827   3HBC  HEC 109          3HBC      HEC 109  11.058   6.195   8.075
  828   1HMD  HEC 109          1HMD      HEC 109  14.593   1.304   4.896
  829   2HMD  HEC 109          2HMD      HEC 109  14.896   1.818   3.219
  830   3HMD  HEC 109          3HMD      HEC 109  13.903   2.831   4.295
  831   1HAD  HEC 109          1HAD      HEC 109  13.649  -1.924   2.186
  832   2HAD  HEC 109          2HAD      HEC 109  14.328  -0.488   1.383
  833   1HBD  HEC 109          1HBD      HEC 109  14.922  -0.622   4.253
  834   2HBD  HEC 109          2HBD      HEC 109  15.572  -1.983   3.308
  835    HHA  HEC 110           HHA      HEC 110 -10.215  -4.807   0.895
  836    HHB  HEC 110           HHB      HEC 110  -6.417   0.068  -0.814
  837    HHC  HEC 110           HHC      HEC 110  -1.457  -2.821   2.034
  838    HHD  HEC 110           HHD      HEC 110  -5.139  -7.942   3.242
  839   1HMA  HEC 110          1HMA      HEC 110  -8.816   0.742  -0.678
  840   2HMA  HEC 110          2HMA      HEC 110  -8.601  -0.085  -2.240
  841   3HMA  HEC 110          3HMA      HEC 110 -10.187  -0.107  -1.432
  842   1HAA  HEC 110          1HAA      HEC 110 -11.258  -2.122  -1.397
  843   2HAA  HEC 110          2HAA      HEC 110 -11.258  -3.620  -0.437
  844   1HBA  HEC 110          1HBA      HEC 110 -11.229  -1.481   1.410
  845   2HBA  HEC 110          2HBA      HEC 110 -12.432  -1.076   0.162
  846   1HMB  HEC 110          1HMB      HEC 110  -4.588   1.613  -0.380
  847   2HMB  HEC 110          2HMB      HEC 110  -2.859   1.423  -0.758
  848   3HMB  HEC 110          3HMB      HEC 110  -4.089   0.780  -1.872
  849    HAB  HEC 110           HAB      HEC 110  -0.777  -1.137   1.213
  850   1HBB  HEC 110          1HBB      HEC 110  -0.643   1.487   0.166
  851   2HBB  HEC 110          2HBB      HEC 110  -2.138   1.380   1.126
  852   3HBB  HEC 110          3HBB      HEC 110  -0.573   0.966   1.867
  853   1HMC  HEC 110          1HMC      HEC 110  -0.048  -6.118   2.303
  854   2HMC  HEC 110          2HMC      HEC 110  -0.221  -4.356   2.480
  855   3HMC  HEC 110          3HMC      HEC 110  -0.314  -5.407   3.913
  856    HAC  HEC 110           HAC      HEC 110  -3.213  -8.117   4.312
  857   1HBC  HEC 110          1HBC      HEC 110  -0.300  -7.536   3.739
  858   2HBC  HEC 110          2HBC      HEC 110  -1.194  -6.920   5.149
  859   3HBC  HEC 110          3HBC      HEC 110  -0.970  -8.672   4.934
  860   1HMD  HEC 110          1HMD      HEC 110  -8.595  -8.835   4.060
  861   2HMD  HEC 110          2HMD      HEC 110  -7.774  -9.566   2.660
  862   3HMD  HEC 110          3HMD      HEC 110  -6.817  -8.846   3.977
  863   1HAD  HEC 110          1HAD      HEC 110 -10.358  -8.152   2.748
  864   2HAD  HEC 110          2HAD      HEC 110 -10.865  -6.446   2.713
  865   1HBD  HEC 110          1HBD      HEC 110 -11.577  -6.611   0.613
  866   2HBD  HEC 110          2HBD      HEC 110 -10.082  -7.415   0.079
  867    HHA  HEC 111           HHA      HEC 111   0.418   5.497  -7.646
  868    HHB  HEC 111           HHB      HEC 111  -0.591   2.023 -12.939
  869    HHC  HEC 111           HHC      HEC 111  -3.301  -2.601  -9.427
  870    HHD  HEC 111           HHD      HEC 111  -3.013   1.288  -4.243
  871   1HMA  HEC 111          1HMA      HEC 111   0.074   4.091 -13.491
  872   2HMA  HEC 111          2HMA      HEC 111   1.097   5.409 -12.872
  873   3HMA  HEC 111          3HMA      HEC 111   1.751   3.759 -12.997
  874   1HAA  HEC 111          1HAA      HEC 111   0.736   6.887 -10.665
  875   2HAA  HEC 111          2HAA      HEC 111   1.398   6.371  -9.095
  876   1HBA  HEC 111          1HBA      HEC 111   3.431   5.897  -9.959
  877   2HBA  HEC 111          2HBA      HEC 111   2.771   5.333 -11.512
  878   1HMB  HEC 111          1HMB      HEC 111  -1.865  -0.865 -14.390
  879   2HMB  HEC 111          2HMB      HEC 111  -0.665   0.411 -14.073
  880   3HMB  HEC 111          3HMB      HEC 111  -0.229  -1.299 -13.840
  881    HAB  HEC 111           HAB      HEC 111  -3.347  -3.166 -11.459
  882   1HBB  HEC 111          1HBB      HEC 111  -0.953  -4.154 -12.776
  883   2HBB  HEC 111          2HBB      HEC 111  -0.596  -3.446 -11.182
  884   3HBB  HEC 111          3HBB      HEC 111  -1.798  -4.751 -11.327
  885   1HMC  HEC 111          1HMC      HEC 111  -4.260  -3.658  -6.211
  886   2HMC  HEC 111          2HMC      HEC 111  -5.701  -2.793  -6.799
  887   3HMC  HEC 111          3HMC      HEC 111  -4.477  -3.371  -7.955
  888    HAC  HEC 111           HAC      HEC 111  -3.862  -0.442  -3.660
  889   1HBC  HEC 111          1HBC      HEC 111  -5.135  -3.079  -4.115
  890   2HBC  HEC 111          2HBC      HEC 111  -3.373  -2.993  -4.349
  891   3HBC  HEC 111          3HBC      HEC 111  -4.088  -2.512  -2.792
  892   1HMD  HEC 111          1HMD      HEC 111  -0.740   3.105  -2.703
  893   2HMD  HEC 111          2HMD      HEC 111  -1.914   4.427  -2.910
  894   3HMD  HEC 111          3HMD      HEC 111  -2.455   2.734  -3.006
  895   1HAD  HEC 111          1HAD      HEC 111   0.600   5.299  -4.028
  896   2HAD  HEC 111          2HAD      HEC 111   0.734   5.896  -5.699
  897   1HBD  HEC 111          1HBD      HEC 111  -1.635   6.812  -5.376
  898   2HBD  HEC 111          2HBD      HEC 111  -1.378   6.508  -3.641
   
  No H/Q in entry =         898
  Start of MODEL    4
    1   1H    ALA   1          1H        ALA   1   2.252   2.854  22.030
    2   2H    ALA   1          2H        ALA   1   0.656   3.135  22.374
    3    HA   ALA   1           HA       ALA   1   1.825   3.767  20.125
    4   1HB   ALA   1          1HB       ALA   1   1.831   1.053  19.985
    5   2HB   ALA   1          2HB       ALA   1   0.252   1.398  19.240
    6   3HB   ALA   1          3HB       ALA   1   1.733   2.109  18.556
    7    HA   PRO   2           HA       PRO   2  -2.119   5.549  20.011
    8   1HB   PRO   2          1HB       PRO   2  -1.986   6.894  17.635
    9   2HB   PRO   2          2HB       PRO   2  -1.283   7.502  19.121
   10   1HG   PRO   2          1HG       PRO   2   0.073   6.301  16.785
   11   2HG   PRO   2          2HG       PRO   2   0.756   7.284  18.065
   12   1HD   PRO   2          1HD       PRO   2   0.980   4.439  17.780
   13   2HD   PRO   2          2HD       PRO   2   1.563   5.407  19.120
   14    H    LYS   3           H        LYS   3  -4.105   5.939  18.484
   15    HA   LYS   3           HA       LYS   3  -4.657   3.269  17.489
   16   1HB   LYS   3          1HB       LYS   3  -6.399   5.676  18.068
   17   2HB   LYS   3          2HB       LYS   3  -7.005   4.217  17.312
   18   1HG   LYS   3          1HG       LYS   3  -6.131   2.887  19.286
   19   2HG   LYS   3          2HG       LYS   3  -5.661   4.393  20.050
   20   1HD   LYS   3          1HD       LYS   3  -7.858   5.027  20.493
   21   2HD   LYS   3          2HD       LYS   3  -8.496   4.219  19.075
   22   1HE   LYS   3          1HE       LYS   3  -8.042   1.990  20.208
   23   2HE   LYS   3          2HE       LYS   3  -7.554   2.863  21.646
   24   1HZ   LYS   3          1HZ       LYS   3 -10.238   2.600  20.505
   25   2HZ   LYS   3          2HZ       LYS   3  -9.783   2.564  22.068
   26    H    ALA   4           H        ALA   4  -6.059   3.216  15.383
   27    HA   ALA   4           HA       ALA   4  -4.422   4.195  13.319
   28   1HB   ALA   4          2HB       ALA   4  -7.196   2.955  13.402
   29   2HB   ALA   4          3HB       ALA   4  -6.342   3.337  11.888
   30   3HB   ALA   4          1HB       ALA   4  -5.652   2.154  13.025
   31    HA   PRO   5           HA       PRO   5  -6.156   8.093  12.613
   32   1HB   PRO   5          1HB       PRO   5  -5.613   8.477   9.962
   33   2HB   PRO   5          2HB       PRO   5  -4.421   8.702  11.227
   34   1HG   PRO   5          1HG       PRO   5  -4.680   6.476   9.299
   35   2HG   PRO   5          2HG       PRO   5  -3.292   6.936  10.265
   36   1HD   PRO   5          1HD       PRO   5  -5.077   4.745  10.758
   37   2HD   PRO   5          2HD       PRO   5  -3.759   5.276  11.785
   38    H    ALA   6           H        ALA   6  -7.663   9.450  11.159
   39    HA   ALA   6           HA       ALA   6 -10.113   8.100  11.186
   40   1HB   ALA   6          1HB       ALA   6  -9.105  10.741  10.791
   41   2HB   ALA   6          2HB       ALA   6 -10.151  10.360   9.402
   42   3HB   ALA   6          3HB       ALA   6 -10.791  10.236  11.058
   43    H    ASP   7           H        ASP   7 -11.550   7.693   9.284
   44    HA   ASP   7           HA       ASP   7 -10.105   6.175   7.389
   45   1HB   ASP   7          1HB       ASP   7 -12.351   5.524   8.276
   46   2HB   ASP   7          2HB       ASP   7 -13.060   6.939   7.524
   47    H    GLY   8           H        GLY   8 -10.594   6.468   4.931
   48   1HA   GLY   8          1HA       GLY   8 -10.999   7.773   3.086
   49   2HA   GLY   8          2HA       GLY   8 -11.325   9.157   4.109
   50    H    LEU   9           H        LEU   9  -8.431   7.190   4.693
   51    HA   LEU   9           HA       LEU   9  -6.782   9.478   4.260
   52   1HB   LEU   9          1HB       LEU   9  -6.209   8.117   6.070
   53   2HB   LEU   9          2HB       LEU   9  -6.334   6.641   5.134
   54    HG   LEU   9           HG       LEU   9  -4.001   7.807   5.813
   55   1HD1  LEU   9          3HD1      LEU   9  -4.701   5.589   4.510
   56   2HD1  LEU   9          1HD1      LEU   9  -4.005   6.490   3.142
   57   3HD1  LEU   9          2HD1      LEU   9  -3.019   6.165   4.587
   58   1HD2  LEU   9          2HD2      LEU   9  -4.805   9.732   4.181
   59   2HD2  LEU   9          3HD2      LEU   9  -3.097   9.241   4.284
   60   3HD2  LEU   9          1HD2      LEU   9  -4.115   8.648   2.950
   61    H    LYS  10           H        LYS  10  -6.695  10.144   2.137
   62    HA   LYS  10           HA       LYS  10  -6.035   8.080   0.166
   63   1HB   LYS  10          1HB       LYS  10  -8.021   9.252  -0.430
   64   2HB   LYS  10          2HB       LYS  10  -7.308  10.812  -0.075
   65   1HG   LYS  10          1HG       LYS  10  -5.553  10.243  -1.911
   66   2HG   LYS  10          2HG       LYS  10  -6.622   8.933  -2.371
   67   1HD   LYS  10          1HD       LYS  10  -7.424  10.624  -3.763
   68   2HD   LYS  10          2HD       LYS  10  -8.486  10.832  -2.385
   69   1HE   LYS  10          1HE       LYS  10  -6.015  12.332  -1.966
   70   2HE   LYS  10          2HE       LYS  10  -6.719  12.764  -3.512
   71   1HZ   LYS  10          1HZ       LYS  10  -8.796  12.629  -1.629
   72   2HZ   LYS  10          2HZ       LYS  10  -7.611  13.530  -0.967
   73    H    MET  11           H        MET  11  -4.196   8.282  -1.167
   74    HA   MET  11           HA       MET  11  -2.353  10.354  -0.254
   75   1HB   MET  11          1HB       MET  11  -0.538   8.644  -0.806
   76   2HB   MET  11          2HB       MET  11  -1.581   8.155   0.514
   77   1HG   MET  11          1HG       MET  11  -2.777   7.268  -1.976
   78   2HG   MET  11          2HG       MET  11  -1.097   6.771  -1.959
   79   1HE   MET  11          1HE       MET  11   0.043   5.598  -0.359
   80   2HE   MET  11          2HE       MET  11  -0.612   4.471   0.852
   81   3HE   MET  11          3HE       MET  11  -0.775   4.106  -0.882
   82    H    GLU  12           H        GLU  12  -2.362  11.887  -1.868
   83    HA   GLU  12           HA       GLU  12  -2.369  10.886  -4.596
   84   1HB   GLU  12          1HB       GLU  12  -4.099  12.594  -3.836
   85   2HB   GLU  12          2HB       GLU  12  -2.796  13.747  -3.635
   86   1HG   GLU  12          1HG       GLU  12  -3.004  12.294  -6.272
   87   2HG   GLU  12          2HG       GLU  12  -4.167  13.562  -5.939
   88    H    ALA  13           H        ALA  13  -0.013  10.225  -3.990
   89    HA   ALA  13           HA       ALA  13   1.794  12.515  -4.090
   90   1HB   ALA  13          1HB       ALA  13   1.845  10.316  -2.527
   91   2HB   ALA  13          2HB       ALA  13   2.783   9.701  -3.909
   92   3HB   ALA  13          3HB       ALA  13   3.323  11.161  -3.046
   93    H    THR  14           H        THR  14   0.158  10.352  -6.158
   94    HA   THR  14           HA       THR  14   2.098  10.938  -8.282
   95    HB   THR  14           HB       THR  14   1.740   8.596  -9.114
   96    HG1  THR  14           HG1      THR  14  -0.400   8.696  -7.733
   97   1HG2  THR  14          1HG2      THR  14   2.736   9.003  -6.268
   98   2HG2  THR  14          2HG2      THR  14   2.651   7.367  -6.963
   99   3HG2  THR  14          3HG2      THR  14   3.677   8.605  -7.726
  100    H    LYS  15           H        LYS  15   0.963  10.266 -10.506
  101    HA   LYS  15           HA       LYS  15  -1.192  12.050 -10.733
  102   1HB   LYS  15          1HB       LYS  15   0.514  11.477 -12.496
  103   2HB   LYS  15          2HB       LYS  15  -0.301   9.942 -12.720
  104   1HG   LYS  15          1HG       LYS  15  -2.153  12.257 -12.750
  105   2HG   LYS  15          2HG       LYS  15  -0.947  12.325 -14.020
  106   1HD   LYS  15          1HD       LYS  15  -1.582   9.807 -14.453
  107   2HD   LYS  15          2HD       LYS  15  -3.014  10.159 -13.507
  108   1HE   LYS  15          1HE       LYS  15  -2.356  12.140 -15.659
  109   2HE   LYS  15          2HE       LYS  15  -2.858  10.554 -16.210
  110   1HZ   LYS  15          1HZ       LYS  15  -4.897  11.530 -15.910
  111   2HZ   LYS  15          2HZ       LYS  15  -4.725  10.975 -14.389
  112    H    GLN  16           H        GLN  16  -1.002   8.817  -9.590
  113    HA   GLN  16           HA       GLN  16  -3.869   8.543 -10.063
  114   1HB   GLN  16          1HB       GLN  16  -1.893   6.258  -9.667
  115   2HB   GLN  16          2HB       GLN  16  -3.584   6.118 -10.102
  116   1HG   GLN  16          1HG       GLN  16  -1.940   7.850 -11.903
  117   2HG   GLN  16          2HG       GLN  16  -1.531   6.146 -11.925
  118   1HE2  GLN  16          2HE2      GLN  16  -4.844   5.077 -12.978
  119   2HE2  GLN  16          1HE2      GLN  16  -3.638   4.716 -11.788
  120    HA   PRO  17           HA       PRO  17  -3.565   8.852  -5.640
  121   1HB   PRO  17          1HB       PRO  17  -6.072   9.860  -5.228
  122   2HB   PRO  17          2HB       PRO  17  -4.670  10.869  -5.521
  123   1HG   PRO  17          1HG       PRO  17  -6.885  10.196  -7.359
  124   2HG   PRO  17          2HG       PRO  17  -5.726  11.506  -7.470
  125   1HD   PRO  17          1HD       PRO  17  -5.710   9.068  -8.981
  126   2HD   PRO  17          2HD       PRO  17  -4.490  10.326  -9.008
  127    H    VAL  18           H        VAL  18  -4.443   7.764  -3.790
  128    HA   VAL  18           HA       VAL  18  -6.407   5.740  -4.536
  129    HB   VAL  18           HB       VAL  18  -3.669   5.215  -3.374
  130   1HG1  VAL  18          3HG1      VAL  18  -6.188   3.774  -2.982
  131   2HG1  VAL  18          1HG1      VAL  18  -4.907   2.753  -3.679
  132   3HG1  VAL  18          2HG1      VAL  18  -4.627   3.605  -2.142
  133   1HG2  VAL  18          1HG2      VAL  18  -4.960   4.802  -6.002
  134   2HG2  VAL  18          2HG2      VAL  18  -3.239   4.967  -5.577
  135   3HG2  VAL  18          3HG2      VAL  18  -4.059   3.400  -5.374
  136    H    VAL  19           H        VAL  19  -7.706   5.040  -2.777
  137    HA   VAL  19           HA       VAL  19  -7.341   6.688  -0.371
  138    HB   VAL  19           HB       VAL  19  -9.800   5.650  -1.776
  139   1HG1  VAL  19          1HG1      VAL  19  -9.413   6.058   1.058
  140   2HG1  VAL  19          2HG1      VAL  19 -10.589   7.233   0.423
  141   3HG1  VAL  19          3HG1      VAL  19 -10.854   5.489   0.183
  142   1HG2  VAL  19          3HG2      VAL  19  -8.387   8.051  -1.984
  143   2HG2  VAL  19          1HG2      VAL  19 -10.044   7.733  -2.552
  144   3HG2  VAL  19          2HG2      VAL  19  -9.776   8.441  -0.941
  145    H    PHE  20           H        PHE  20  -6.641   5.583   1.375
  146    HA   PHE  20           HA       PHE  20  -7.156   2.693   1.415
  147   1HB   PHE  20          1HB       PHE  20  -4.777   3.618   1.452
  148   2HB   PHE  20          2HB       PHE  20  -5.181   4.559   2.873
  149    HD1  PHE  20           HD2      PHE  20  -4.918   1.047   1.633
  150    HD2  PHE  20           HD1      PHE  20  -4.925   3.646   5.031
  151    HE1  PHE  20           HE2      PHE  20  -4.211  -0.888   3.123
  152    HE2  PHE  20           HE1      PHE  20  -4.218   1.703   6.510
  153    HZ   PHE  20           HZ       PHE  20  -3.857  -0.572   5.433
  154    H    ASN  21           H        ASN  21  -7.885   1.677   3.368
  155    HA   ASN  21           HA       ASN  21  -9.005   3.583   5.268
  156   1HB   ASN  21          1HB       ASN  21 -10.273   0.911   4.484
  157   2HB   ASN  21          2HB       ASN  21 -10.989   2.152   5.493
  158   1HD2  ASN  21          2HD2      ASN  21 -11.755   4.418   2.844
  159   2HD2  ASN  21          1HD2      ASN  21 -11.253   4.319   4.499
  160    H    HIS  22           H        HIS  22  -8.716   2.979   7.484
  161    HA   HIS  22           HA       HIS  22  -6.942   0.723   7.881
  162   1HB   HIS  22          1HB       HIS  22  -7.652   3.194   9.413
  163   2HB   HIS  22          2HB       HIS  22  -7.060   1.808  10.307
  164    HD1  HIS  22           HD1      HIS  22  -5.975   4.473   7.903
  165    HD2  HIS  22           HD2      HIS  22  -4.337   1.112   9.805
  166    HE1  HIS  22           HE1      HIS  22  -3.448   4.632   7.586
  167    H    SER  23           H        SER  23 -10.282   1.741   8.368
  168    HA   SER  23           HA       SER  23 -10.823  -0.157  10.384
  169   1HB   SER  23          1HB       SER  23 -12.663   1.388   8.505
  170   2HB   SER  23          2HB       SER  23 -13.232   0.407   9.842
  171    HG   SER  23           HG       SER  23 -11.502   1.891  11.054
  172    H    THR  24           H        THR  24  -9.967  -0.541   7.181
  173    HA   THR  24           HA       THR  24 -11.773  -2.820   6.759
  174    HB   THR  24           HB       THR  24 -10.009  -1.158   4.885
  175    HG1  THR  24           HG1      THR  24 -12.097  -0.298   5.732
  176   1HG2  THR  24          3HG2      THR  24 -11.170  -3.826   4.549
  177   2HG2  THR  24          1HG2      THR  24 -11.966  -2.660   3.465
  178   3HG2  THR  24          2HG2      THR  24 -10.201  -2.881   3.394
  179    H    HIS  25           H        HIS  25  -8.403  -1.859   7.300
  180    HA   HIS  25           HA       HIS  25  -7.628  -4.646   6.909
  181   1HB   HIS  25          1HB       HIS  25  -5.938  -2.141   7.144
  182   2HB   HIS  25          2HB       HIS  25  -5.311  -3.763   6.929
  183    HD1  HIS  25           HD1      HIS  25  -7.470  -1.201   5.097
  184    HD2  HIS  25           HD2      HIS  25  -5.171  -4.620   4.308
  185    HE1  HIS  25           HE1      HIS  25  -7.357  -1.416   2.557
  186    H    LYS  26           H        LYS  26  -9.268  -3.884   9.172
  187    HA   LYS  26           HA       LYS  26  -7.680  -3.405  11.441
  188   1HB   LYS  26          1HB       LYS  26 -10.414  -4.705  11.256
  189   2HB   LYS  26          2HB       LYS  26  -9.689  -4.009  12.692
  190   1HG   LYS  26          1HG       LYS  26  -9.581  -1.778  11.543
  191   2HG   LYS  26          2HG       LYS  26 -10.335  -2.480  10.126
  192   1HD   LYS  26          1HD       LYS  26 -12.374  -2.099  11.035
  193   2HD   LYS  26          2HD       LYS  26 -11.992  -3.211  12.335
  194   1HE   LYS  26          1HE       LYS  26 -10.967  -0.353  12.429
  195   2HE   LYS  26          2HE       LYS  26 -12.612  -0.712  12.915
  196   1HZ   LYS  26          1HZ       LYS  26 -10.996  -2.600  14.166
  197   2HZ   LYS  26          2HZ       LYS  26 -10.233  -1.176  14.372
  198    H    SER  27           H        SER  27  -8.860  -6.397   9.813
  199    HA   SER  27           HA       SER  27  -7.859  -8.092  11.802
  200   1HB   SER  27          1HB       SER  27  -8.355  -9.890  10.243
  201   2HB   SER  27          2HB       SER  27  -9.639  -8.702  10.144
  202    HG   SER  27           HG       SER  27  -9.200  -8.942   8.027
  203    H    VAL  28           H        VAL  28  -6.279  -6.082   9.584
  204    HA   VAL  28           HA       VAL  28  -4.052  -7.912   9.162
  205    HB   VAL  28           HB       VAL  28  -4.485  -5.089   8.170
  206   1HG1  VAL  28          1HG1      VAL  28  -2.543  -7.278   7.365
  207   2HG1  VAL  28          2HG1      VAL  28  -2.818  -5.789   6.429
  208   3HG1  VAL  28          3HG1      VAL  28  -2.158  -5.694   8.080
  209   1HG2  VAL  28          2HG2      VAL  28  -5.586  -7.678   7.261
  210   2HG2  VAL  28          3HG2      VAL  28  -6.163  -6.018   6.978
  211   3HG2  VAL  28          1HG2      VAL  28  -4.844  -6.684   5.985
  212    H    LYS  29           H        LYS  29  -2.003  -7.616  10.069
  213    HA   LYS  29           HA       LYS  29  -1.989  -6.157  12.517
  214   1HB   LYS  29          1HB       LYS  29  -0.507  -8.285  11.298
  215   2HB   LYS  29          2HB       LYS  29   0.626  -7.042  11.792
  216   1HG   LYS  29          1HG       LYS  29   0.168  -7.313  14.043
  217   2HG   LYS  29          2HG       LYS  29  -1.529  -7.654  13.771
  218   1HD   LYS  29          1HD       LYS  29   0.615  -9.648  12.949
  219   2HD   LYS  29          2HD       LYS  29   0.010  -9.604  14.593
  220   1HE   LYS  29          1HE       LYS  29  -1.812 -10.801  13.972
  221   2HE   LYS  29          2HE       LYS  29  -2.280  -9.536  12.854
  222   1HZ   LYS  29          1HZ       LYS  29  -1.278 -10.626  11.101
  223   2HZ   LYS  29          2HZ       LYS  29  -0.143 -11.359  12.010
  224    H    CYS  30           H        CYS  30  -0.854  -4.269  13.054
  225    HA   CYS  30           HA       CYS  30  -0.650  -2.384  11.015
  226   1HB   CYS  30          1HB       CYS  30   0.776  -2.123  13.649
  227   2HB   CYS  30          2HB       CYS  30   0.055  -0.871  12.657
  228    H    GLY  31           H        GLY  31   1.603  -4.729  12.461
  229   1HA   GLY  31          1HA       GLY  31   3.983  -3.528  11.391
  230   2HA   GLY  31          2HA       GLY  31   3.820  -5.098  12.153
  231    H    ASP  32           H        ASP  32   1.353  -5.095   9.932
  232    HA   ASP  32           HA       ASP  32   2.858  -6.747   8.182
  233   1HB   ASP  32          1HB       ASP  32   0.452  -7.155   8.877
  234   2HB   ASP  32          2HB       ASP  32  -0.019  -5.747   7.946
  235    H    CYS  33           H        CYS  33   1.518  -3.441   8.288
  236    HA   CYS  33           HA       CYS  33   2.338  -3.040   5.510
  237   1HB   CYS  33          1HB       CYS  33   0.190  -1.849   7.203
  238   2HB   CYS  33          2HB       CYS  33   0.981  -0.781   6.061
  239    H    HIS  34           H        HIS  34   2.279  -1.455   8.789
  240    HA   HIS  34           HA       HIS  34   4.349   0.352   8.035
  241   1HB   HIS  34          1HB       HIS  34   3.108  -0.265  10.731
  242   2HB   HIS  34          2HB       HIS  34   4.224   1.049  10.415
  243    HD1  HIS  34           HD1      HIS  34   3.343   3.021   8.839
  244    HD2  HIS  34           HD2      HIS  34   0.455   0.217  10.019
  245    HE1  HIS  34           HE1      HIS  34   1.075   4.082   8.349
  246    H    HIS  35           H        HIS  35   5.521  -1.873   7.299
  247    HA   HIS  35           HA       HIS  35   6.657  -3.598   8.998
  248   1HB   HIS  35          1HB       HIS  35   8.468  -3.833   7.401
  249   2HB   HIS  35          2HB       HIS  35   6.934  -3.647   6.573
  250    HD1  HIS  35           HD1      HIS  35   9.925  -1.471   7.584
  251    HD2  HIS  35           HD2      HIS  35   6.947  -1.708   4.640
  252    HE1  HIS  35           HE1      HIS  35  10.451   0.360   5.886
  253    HA   PRO  36           HA       PRO  36   9.272  -1.373  11.629
  254   1HB   PRO  36          1HB       PRO  36  10.980  -3.337  12.462
  255   2HB   PRO  36          2HB       PRO  36   9.373  -3.120  13.125
  256   1HG   PRO  36          1HG       PRO  36  10.336  -5.179  11.236
  257   2HG   PRO  36          2HG       PRO  36   8.889  -5.188  12.225
  258   1HD   PRO  36          1HD       PRO  36   9.039  -4.664   9.409
  259   2HD   PRO  36          2HD       PRO  36   7.612  -4.559  10.420
  260    H    VAL  37           H        VAL  37  10.574   0.232  11.038
  261    HA   VAL  37           HA       VAL  37  12.546  -0.418   9.023
  262    HB   VAL  37           HB       VAL  37  11.555   2.121  10.311
  263   1HG1  VAL  37          3HG1      VAL  37  14.017   2.264   9.913
  264   2HG1  VAL  37          1HG1      VAL  37  13.721   1.921   8.192
  265   3HG1  VAL  37          2HG1      VAL  37  13.067   3.404   8.929
  266   1HG2  VAL  37          2HG2      VAL  37  11.147   0.709   7.713
  267   2HG2  VAL  37          3HG2      VAL  37  10.004   1.648   8.702
  268   3HG2  VAL  37          1HG2      VAL  37  11.199   2.488   7.684
  269    H    ASN  38           H        ASN  38  12.658   1.455  12.140
  270    HA   ASN  38           HA       ASN  38  15.389   0.549  12.404
  271   1HB   ASN  38          1HB       ASN  38  14.037   2.985  12.980
  272   2HB   ASN  38          2HB       ASN  38  14.397   2.300  14.553
  273   1HD2  ASN  38          2HD2      ASN  38  17.524   3.804  14.392
  274   2HD2  ASN  38          1HD2      ASN  38  15.974   3.668  15.155
  275    H    GLY  39           H        GLY  39  13.188  -1.357  12.802
  276   1HA   GLY  39          1HA       GLY  39  12.873  -3.079  14.261
  277   2HA   GLY  39          2HA       GLY  39  13.821  -2.244  15.476
  278    H    LYS  40           H        LYS  40  11.682   0.061  14.312
  279    HA   LYS  40           HA       LYS  40   9.708  -0.642  16.372
  280   1HB   LYS  40          1HB       LYS  40   9.450   1.711  16.836
  281   2HB   LYS  40          2HB       LYS  40  11.138   1.270  16.997
  282   1HG   LYS  40          1HG       LYS  40  11.544   2.105  14.646
  283   2HG   LYS  40          2HG       LYS  40   9.870   2.619  14.566
  284   1HD   LYS  40          1HD       LYS  40  10.481   3.895  16.837
  285   2HD   LYS  40          2HD       LYS  40  12.122   3.743  16.242
  286   1HE   LYS  40          1HE       LYS  40  10.316   4.632  14.106
  287   2HE   LYS  40          2HE       LYS  40  10.218   5.702  15.490
  288   1HZ   LYS  40          1HZ       LYS  40  12.014   6.368  13.996
  289   2HZ   LYS  40          2HZ       LYS  40  12.654   5.910  15.421
  290    H    GLU  41           H        GLU  41   7.475  -0.077  15.924
  291    HA   GLU  41           HA       GLU  41   7.023   0.009  13.048
  292   1HB   GLU  41          1HB       GLU  41   5.536  -1.271  15.344
  293   2HB   GLU  41          2HB       GLU  41   4.647  -0.832  13.900
  294   1HG   GLU  41          1HG       GLU  41   5.515  -2.575  12.721
  295   2HG   GLU  41          2HG       GLU  41   7.153  -2.177  13.196
  296    H    ASP  42           H        ASP  42   7.488   2.448  13.455
  297    HA   ASP  42           HA       ASP  42   5.525   3.879  14.877
  298   1HB   ASP  42          1HB       ASP  42   6.597   5.875  13.802
  299   2HB   ASP  42          2HB       ASP  42   7.758   4.814  14.573
  300    H    TYR  43           H        TYR  43   3.566   4.734  14.079
  301    HA   TYR  43           HA       TYR  43   2.728   3.884  11.474
  302   1HB   TYR  43          1HB       TYR  43   1.478   5.811  13.526
  303   2HB   TYR  43          2HB       TYR  43   0.603   4.923  12.294
  304    HD1  TYR  43           HD1      TYR  43   2.301   2.294  12.813
  305    HD2  TYR  43           HD2      TYR  43   0.068   4.947  15.319
  306    HE1  TYR  43           HE1      TYR  43   1.898   0.405  14.466
  307    HE2  TYR  43           HE2      TYR  43  -0.327   3.048  16.963
  308    HH   TYR  43           HH       TYR  43  -0.137   0.914  17.324
  309    H    ARG  44           H        ARG  44   3.988   4.989   9.914
  310    HA   ARG  44           HA       ARG  44   3.436   7.846   9.873
  311   1HB   ARG  44          1HB       ARG  44   5.988   6.503   9.918
  312   2HB   ARG  44          2HB       ARG  44   5.811   7.222   8.330
  313   1HG   ARG  44          1HG       ARG  44   5.475   9.431   9.253
  314   2HG   ARG  44          2HG       ARG  44   5.234   8.800  10.870
  315   1HD   ARG  44          1HD       ARG  44   7.701   7.818  10.518
  316   2HD   ARG  44          2HD       ARG  44   7.811   9.082   9.310
  317    HE   ARG  44           HE       ARG  44   6.789   9.944  11.946
  318   1HH1  ARG  44          2HH2      ARG  44   9.607   9.650   9.818
  319   2HH1  ARG  44          1HH2      ARG  44  10.534  10.836  10.676
  320    HH2  ARG  44           HH1      ARG  44   9.575  11.915  12.590
  321    H    LYS  45           H        LYS  45   3.967   8.675   7.422
  322    HA   LYS  45           HA       LYS  45   2.232   7.083   5.764
  323   1HB   LYS  45          1HB       LYS  45   3.553   9.783   5.376
  324   2HB   LYS  45          2HB       LYS  45   2.506   9.029   4.192
  325   1HG   LYS  45          1HG       LYS  45   0.772  10.011   5.290
  326   2HG   LYS  45          2HG       LYS  45   1.008   8.804   6.538
  327   1HD   LYS  45          1HD       LYS  45   1.588  10.432   8.001
  328   2HD   LYS  45          2HD       LYS  45   2.974  10.831   7.005
  329   1HE   LYS  45          1HE       LYS  45   0.350  11.872   6.014
  330   2HE   LYS  45          2HE       LYS  45   0.910  12.568   7.522
  331   1HZ   LYS  45          1HZ       LYS  45   1.717  13.616   5.329
  332   2HZ   LYS  45          2HZ       LYS  45   2.835  13.385   6.490
  333    H    CYS  46           H        CYS  46   2.824   5.758   4.100
  334    HA   CYS  46           HA       CYS  46   5.406   4.814   3.969
  335   1HB   CYS  46          1HB       CYS  46   3.553   4.675   1.610
  336   2HB   CYS  46          2HB       CYS  46   4.714   3.491   2.175
  337    H    GLY  47           H        GLY  47   3.636   7.245   1.946
  338   1HA   GLY  47          1HA       GLY  47   5.934   7.769   0.286
  339   2HA   GLY  47          2HA       GLY  47   4.385   8.589   0.270
  340    H    THR  48           H        THR  48   6.832   8.071   2.909
  341    HA   THR  48           HA       THR  48   6.656  10.929   3.495
  342    HB   THR  48           HB       THR  48   7.417   8.396   4.961
  343    HG1  THR  48           HG1      THR  48   5.588   9.159   5.948
  344   1HG2  THR  48          1HG2      THR  48   8.197  11.230   5.830
  345   2HG2  THR  48          2HG2      THR  48   8.348   9.755   6.815
  346   3HG2  THR  48          3HG2      THR  48   9.356   9.962   5.362
  347    H    ALA  49           H        ALA  49   8.254  12.380   3.162
  348    HA   ALA  49           HA       ALA  49  10.239  11.832   1.326
  349   1HB   ALA  49          3HB       ALA  49   9.309  14.031   2.943
  350   2HB   ALA  49          1HB       ALA  49  11.087  13.987   2.986
  351   3HB   ALA  49          2HB       ALA  49  10.236  14.075   1.425
  352    H    GLY  50           H        GLY  50  11.890  10.404   1.516
  353   1HA   GLY  50          1HA       GLY  50  14.071  10.132   2.534
  354   2HA   GLY  50          2HA       GLY  50  13.321  10.340   4.104
  355    H    CYS  51           H        CYS  51  10.894   8.719   2.819
  356    HA   CYS  51           HA       CYS  51  12.073   6.137   3.505
  357   1HB   CYS  51          1HB       CYS  51   9.203   7.114   3.580
  358   2HB   CYS  51          2HB       CYS  51   9.658   5.438   3.816
  359    H    HIS  52           H        HIS  52   9.026   6.686   1.707
  360    HA   HIS  52           HA       HIS  52  10.284   5.373  -0.587
  361   1HB   HIS  52          1HB       HIS  52   7.423   5.356   0.402
  362   2HB   HIS  52          2HB       HIS  52   7.904   4.735  -1.164
  363    HD1  HIS  52           HD1      HIS  52   9.913   2.781  -0.980
  364    HD2  HIS  52           HD2      HIS  52   7.497   3.473   2.379
  365    HE1  HIS  52           HE1      HIS  52  10.137   0.714   0.500
  366    H    ASP  53           H        ASP  53  11.134   7.570  -1.160
  367    HA   ASP  53           HA       ASP  53   9.057   8.978  -2.625
  368   1HB   ASP  53          1HB       ASP  53   9.988  10.072  -0.371
  369   2HB   ASP  53          2HB       ASP  53  11.360  10.494  -1.376
  370    H    SER  54           H        SER  54  10.057   7.575  -4.389
  371    HA   SER  54           HA       SER  54  12.706   8.522  -5.136
  372   1HB   SER  54          1HB       SER  54  12.364   6.040  -4.809
  373   2HB   SER  54          2HB       SER  54  11.207   6.055  -6.125
  374    HG   SER  54           HG       SER  54  13.706   5.584  -6.452
  375    H    MET  55           H        MET  55   9.294   8.208  -6.106
  376    HA   MET  55           HA       MET  55   8.168   8.874  -7.854
  377   1HB   MET  55          1HB       MET  55  10.010  11.050  -7.072
  378   2HB   MET  55          2HB       MET  55   9.539  11.196  -8.753
  379   1HG   MET  55          1HG       MET  55   7.730  12.302  -7.834
  380   2HG   MET  55          2HG       MET  55   7.090  10.675  -7.709
  381   1HE   MET  55          2HE       MET  55   6.302   9.697  -5.925
  382   2HE   MET  55          3HE       MET  55   7.793   9.157  -5.117
  383   3HE   MET  55          1HE       MET  55   6.553  10.043  -4.198
  384    H    ASP  56           H        ASP  56  10.246   6.941  -8.477
  385    HA   ASP  56           HA       ASP  56  11.128   7.882 -11.081
  386   1HB   ASP  56          1HB       ASP  56  12.690   6.786  -9.265
  387   2HB   ASP  56          2HB       ASP  56  11.950   5.274  -9.755
  388    H    LYS  57           H        LYS  57   9.196   5.474  -9.281
  389    HA   LYS  57           HA       LYS  57   7.617   4.063  -9.916
  390   1HB   LYS  57          1HB       LYS  57   6.846   5.924 -11.367
  391   2HB   LYS  57          2HB       LYS  57   7.845   5.313 -12.670
  392   1HG   LYS  57          1HG       LYS  57   6.029   3.304 -11.398
  393   2HG   LYS  57          2HG       LYS  57   5.227   4.587 -12.281
  394   1HD   LYS  57          1HD       LYS  57   7.476   3.670 -13.858
  395   2HD   LYS  57          2HD       LYS  57   6.561   2.268 -13.340
  396   1HE   LYS  57          1HE       LYS  57   4.456   3.336 -14.203
  397   2HE   LYS  57          2HE       LYS  57   5.388   4.719 -14.743
  398   1HZ   LYS  57          1HZ       LYS  57   4.920   2.744 -16.371
  399   2HZ   LYS  57          2HZ       LYS  57   6.372   3.481 -16.420
  400    H    LYS  58           H        LYS  58   9.866   4.297 -12.768
  401    HA   LYS  58           HA       LYS  58  10.011   1.396 -12.767
  402   1HB   LYS  58          1HB       LYS  58   9.629   2.881 -14.838
  403   2HB   LYS  58          2HB       LYS  58  11.332   3.277 -14.726
  404   1HG   LYS  58          1HG       LYS  58  11.796   0.741 -14.681
  405   2HG   LYS  58          2HG       LYS  58  10.108   0.507 -15.089
  406   1HD   LYS  58          1HD       LYS  58  10.342   1.528 -17.222
  407   2HD   LYS  58          2HD       LYS  58  11.803   2.381 -16.765
  408   1HE   LYS  58          1HE       LYS  58  13.092   0.668 -17.508
  409   2HE   LYS  58          2HE       LYS  58  12.273  -0.460 -16.447
  410   1HZ   LYS  58          1HZ       LYS  58  11.090  -1.247 -18.178
  411   2HZ   LYS  58          2HZ       LYS  58  10.647   0.231 -18.698
  412    H    ASP  59           H        ASP  59  11.081   1.594 -10.535
  413    HA   ASP  59           HA       ASP  59  13.930   1.644 -11.033
  414   1HB   ASP  59          1HB       ASP  59  13.716   3.785 -10.038
  415   2HB   ASP  59          2HB       ASP  59  12.414   3.273  -8.982
  416    H    LYS  60           H        LYS  60  11.194   1.062  -8.715
  417    HA   LYS  60           HA       LYS  60  10.729  -0.609  -7.349
  418   1HB   LYS  60          1HB       LYS  60  12.737  -2.115  -9.048
  419   2HB   LYS  60          2HB       LYS  60  11.758  -2.863  -7.802
  420   1HG   LYS  60          1HG       LYS  60  10.208  -3.161  -9.449
  421   2HG   LYS  60          2HG       LYS  60   9.833  -1.465  -9.213
  422   1HD   LYS  60          1HD       LYS  60  11.242  -0.784 -11.044
  423   2HD   LYS  60          2HD       LYS  60  12.044  -2.341 -11.113
  424   1HE   LYS  60          1HE       LYS  60  10.492  -3.120 -12.572
  425   2HE   LYS  60          2HE       LYS  60   9.205  -2.790 -11.428
  426   1HZ   LYS  60          1HZ       LYS  60   9.323  -0.413 -12.236
  427   2HZ   LYS  60          2HZ       LYS  60  10.310  -0.906 -13.434
  428    H    SER  61           H        SER  61  13.539  -2.444  -7.089
  429    HA   SER  61           HA       SER  61  15.107  -2.619  -5.600
  430   1HB   SER  61          1HB       SER  61  14.993   0.343  -5.976
  431   2HB   SER  61          2HB       SER  61  15.820  -0.202  -4.531
  432    HG   SER  61           HG       SER  61  17.194   0.019  -6.483
  433    H    ALA  62           H        ALA  62  13.517   0.310  -4.159
  434    HA   ALA  62           HA       ALA  62  11.924  -1.108  -2.346
  435   1HB   ALA  62          3HB       ALA  62  14.740  -0.882  -1.643
  436   2HB   ALA  62          1HB       ALA  62  13.720  -0.019  -0.467
  437   3HB   ALA  62          2HB       ALA  62  13.429  -1.743  -0.800
  438    H    LYS  63           H        LYS  63  13.940   1.793  -3.043
  439    HA   LYS  63           HA       LYS  63  12.370   3.568  -1.531
  440   1HB   LYS  63          1HB       LYS  63  14.385   3.887  -3.753
  441   2HB   LYS  63          2HB       LYS  63  13.517   5.269  -3.114
  442   1HG   LYS  63          1HG       LYS  63  14.830   3.361  -1.169
  443   2HG   LYS  63          2HG       LYS  63  15.842   4.492  -2.046
  444   1HD   LYS  63          1HD       LYS  63  13.729   6.110  -1.193
  445   2HD   LYS  63          2HD       LYS  63  13.919   4.998   0.149
  446   1HE   LYS  63          1HE       LYS  63  15.848   6.003   0.814
  447   2HE   LYS  63          2HE       LYS  63  16.542   5.879  -0.790
  448   1HZ   LYS  63          1HZ       LYS  63  15.390   7.905  -1.420
  449   2HZ   LYS  63          2HZ       LYS  63  14.615   7.994   0.009
  450    H    GLY  64           H        GLY  64  11.910   1.965  -4.607
  451   1HA   GLY  64          1HA       GLY  64  10.266   3.804  -5.921
  452   2HA   GLY  64          2HA       GLY  64  10.263   2.064  -6.131
  453    H    TYR  65           H        TYR  65   8.741   4.822  -4.529
  454    HA   TYR  65           HA       TYR  65   7.166   3.554  -2.657
  455   1HB   TYR  65          1HB       TYR  65   7.324   5.997  -2.880
  456   2HB   TYR  65          2HB       TYR  65   6.860   5.936  -4.569
  457    HD1  TYR  65           HD1      TYR  65   5.470   5.042  -1.196
  458    HD2  TYR  65           HD2      TYR  65   4.683   6.522  -5.132
  459    HE1  TYR  65           HE1      TYR  65   3.050   5.484  -0.554
  460    HE2  TYR  65           HE2      TYR  65   2.266   6.958  -4.477
  461    HH   TYR  65           HH       TYR  65   1.240   6.957  -1.271
  462    H    TYR  66           H        TYR  66   6.640   3.999  -6.200
  463    HA   TYR  66           HA       TYR  66   4.032   2.832  -6.097
  464   1HB   TYR  66          1HB       TYR  66   4.509   4.400  -7.872
  465   2HB   TYR  66          2HB       TYR  66   6.118   3.753  -8.125
  466    HD1  TYR  66           HD1      TYR  66   6.371   1.505  -9.285
  467    HD2  TYR  66           HD2      TYR  66   2.655   3.621  -9.142
  468    HE1  TYR  66           HE1      TYR  66   5.501   0.124 -11.235
  469    HE2  TYR  66           HE2      TYR  66   1.798   2.233 -11.092
  470    HH   TYR  66           HH       TYR  66   2.226   0.075 -12.088
  471    H    HIS  67           H        HIS  67   7.029   1.482  -5.580
  472    HA   HIS  67           HA       HIS  67   6.415  -0.926  -7.106
  473   1HB   HIS  67          1HB       HIS  67   8.596  -0.586  -7.576
  474   2HB   HIS  67          2HB       HIS  67   8.877   0.380  -6.141
  475    HD1  HIS  67           HD1      HIS  67   9.112  -3.110  -7.457
  476    HD2  HIS  67           HD2      HIS  67   9.593  -1.115  -3.799
  477    HE1  HIS  67           HE1      HIS  67  10.304  -4.745  -5.902
  478    H    VAL  68           H        VAL  68   6.219   0.500  -3.951
  479    HA   VAL  68           HA       VAL  68   6.107  -2.135  -2.687
  480    HB   VAL  68           HB       VAL  68   5.945  -0.640  -0.603
  481   1HG1  VAL  68          1HG1      VAL  68   7.958  -1.952  -1.480
  482   2HG1  VAL  68          2HG1      VAL  68   8.543  -0.405  -2.137
  483   3HG1  VAL  68          3HG1      VAL  68   8.299  -0.592  -0.384
  484   1HG2  VAL  68          3HG2      VAL  68   5.408   1.434  -1.944
  485   2HG2  VAL  68          1HG2      VAL  68   6.722   1.615  -0.757
  486   3HG2  VAL  68          2HG2      VAL  68   7.103   1.435  -2.487
  487    H    MET  69           H        MET  69   4.093  -0.438  -4.535
  488    HA   MET  69           HA       MET  69   1.839  -0.865  -2.728
  489   1HB   MET  69          1HB       MET  69   2.067   1.044  -5.122
  490   2HB   MET  69          2HB       MET  69   0.674   0.909  -4.067
  491   1HG   MET  69          1HG       MET  69   3.408   1.557  -2.908
  492   2HG   MET  69          2HG       MET  69   2.431   2.824  -3.625
  493   1HE   MET  69          2HE       MET  69   3.476   1.392  -0.586
  494   2HE   MET  69          3HE       MET  69   3.187   3.148  -0.592
  495   3HE   MET  69          1HE       MET  69   2.312   2.106   0.555
  496    H    HIS  70           H        HIS  70   3.472  -1.900  -5.559
  497    HA   HIS  70           HA       HIS  70   1.093  -3.404  -6.335
  498   1HB   HIS  70          1HB       HIS  70   3.006  -2.247  -8.368
  499   2HB   HIS  70          2HB       HIS  70   1.469  -3.037  -8.657
  500    HD1  HIS  70           HD1      HIS  70   2.850   0.178  -7.122
  501    HD2  HIS  70           HD2      HIS  70  -0.706  -1.344  -8.745
  502    HE1  HIS  70           HE1      HIS  70   1.241   2.151  -7.297
  503    H    ASP  71           H        ASP  71   4.631  -3.047  -7.122
  504    HA   ASP  71           HA       ASP  71   5.223  -5.469  -7.919
  505   1HB   ASP  71          1HB       ASP  71   6.680  -3.345  -6.997
  506   2HB   ASP  71          2HB       ASP  71   7.004  -4.491  -5.711
  507    H    LYS  72           H        LYS  72   5.297  -7.591  -7.069
  508    HA   LYS  72           HA       LYS  72   4.433  -7.858  -4.288
  509   1HB   LYS  72          1HB       LYS  72   4.435  -9.965  -6.464
  510   2HB   LYS  72          2HB       LYS  72   3.656 -10.054  -4.897
  511   1HG   LYS  72          1HG       LYS  72   1.797  -9.175  -5.854
  512   2HG   LYS  72          2HG       LYS  72   2.663  -7.660  -6.010
  513   1HD   LYS  72          1HD       LYS  72   3.674  -8.941  -8.187
  514   2HD   LYS  72          2HD       LYS  72   2.135  -9.770  -8.081
  515   1HE   LYS  72          1HE       LYS  72   1.041  -7.428  -7.921
  516   2HE   LYS  72          2HE       LYS  72   2.602  -6.772  -8.372
  517   1HZ   LYS  72          1HZ       LYS  72   2.456  -8.360 -10.351
  518   2HZ   LYS  72          2HZ       LYS  72   0.881  -8.557  -9.986
  519    H    ASN  73           H        ASN  73   7.051  -8.547  -6.593
  520    HA   ASN  73           HA       ASN  73   8.369 -10.378  -4.935
  521   1HB   ASN  73          1HB       ASN  73   8.990  -8.801  -7.413
  522   2HB   ASN  73          2HB       ASN  73  10.384  -9.317  -6.485
  523   1HD2  ASN  73          2HD2      ASN  73   8.210 -11.904  -8.750
  524   2HD2  ASN  73          1HD2      ASN  73   7.885 -10.208  -8.619
  525    H    THR  74           H        THR  74   7.979  -8.857  -2.921
  526    HA   THR  74           HA       THR  74  10.347  -7.139  -2.633
  527    HB   THR  74           HB       THR  74   8.856  -5.555  -1.347
  528    HG1  THR  74           HG1      THR  74   6.802  -7.246  -2.577
  529   1HG2  THR  74          3HG2      THR  74   8.929  -5.874  -4.174
  530   2HG2  THR  74          1HG2      THR  74   7.206  -5.697  -3.765
  531   3HG2  THR  74          2HG2      THR  74   8.369  -4.438  -3.283
  532    H    LYS  75           H        LYS  75  11.100  -6.882  -0.415
  533    HA   LYS  75           HA       LYS  75  11.106  -9.360   0.910
  534   1HB   LYS  75          1HB       LYS  75  13.035  -7.951   1.006
  535   2HB   LYS  75          2HB       LYS  75  12.116  -6.608   1.656
  536   1HG   LYS  75          1HG       LYS  75  11.656  -7.891   3.732
  537   2HG   LYS  75          2HG       LYS  75  12.493  -9.285   3.080
  538   1HD   LYS  75          1HD       LYS  75  14.511  -7.566   2.785
  539   2HD   LYS  75          2HD       LYS  75  13.646  -6.642   3.996
  540   1HE   LYS  75          1HE       LYS  75  14.199  -9.596   4.437
  541   2HE   LYS  75          2HE       LYS  75  15.441  -8.407   4.774
  542   1HZ   LYS  75          1HZ       LYS  75  14.396  -7.926   6.686
  543   2HZ   LYS  75          2HZ       LYS  75  13.015  -7.533   5.918
  544    H    PHE  76           H        PHE  76   8.989  -6.565   1.013
  545    HA   PHE  76           HA       PHE  76   7.687  -7.727   3.383
  546   1HB   PHE  76          1HB       PHE  76   7.929  -4.872   2.250
  547   2HB   PHE  76          2HB       PHE  76   6.868  -5.266   3.588
  548    HD1  PHE  76           HD2      PHE  76   8.161  -6.657   5.553
  549    HD2  PHE  76           HD1      PHE  76   9.970  -3.929   2.797
  550    HE1  PHE  76           HE2      PHE  76  10.079  -6.276   7.177
  551    HE2  PHE  76           HE1      PHE  76  11.882  -3.558   4.432
  552    HZ   PHE  76           HZ       PHE  76  11.855  -4.823   6.636
  553    H    LYS  77           H        LYS  77   5.312  -7.533   3.447
  554    HA   LYS  77           HA       LYS  77   4.171  -8.303   1.002
  555   1HB   LYS  77          1HB       LYS  77   3.209  -7.767   3.778
  556   2HB   LYS  77          2HB       LYS  77   2.013  -7.786   2.498
  557   1HG   LYS  77          1HG       LYS  77   3.313 -10.027   1.781
  558   2HG   LYS  77          2HG       LYS  77   3.796 -10.021   3.465
  559   1HD   LYS  77          1HD       LYS  77   1.083  -9.473   3.670
  560   2HD   LYS  77          2HD       LYS  77   1.120 -10.524   2.268
  561   1HE   LYS  77          1HE       LYS  77   1.929 -12.359   3.479
  562   2HE   LYS  77          2HE       LYS  77   2.745 -11.359   4.664
  563   1HZ   LYS  77          1HZ       LYS  77   0.020 -10.803   4.880
  564   2HZ   LYS  77          2HZ       LYS  77   0.139 -12.426   4.813
  565    H    SER  78           H        SER  78   3.336  -7.143  -0.660
  566    HA   SER  78           HA       SER  78   3.262  -4.273  -0.259
  567   1HB   SER  78          1HB       SER  78   3.582  -4.042  -2.586
  568   2HB   SER  78          2HB       SER  78   4.563  -5.436  -2.179
  569    HG   SER  78           HG       SER  78   3.217  -5.762  -4.091
  570    H    CYS  79           H        CYS  79   1.404  -3.034  -1.233
  571    HA   CYS  79           HA       CYS  79  -0.991  -3.754  -0.281
  572   1HB   CYS  79          1HB       CYS  79  -0.583  -2.218  -2.855
  573   2HB   CYS  79          2HB       CYS  79  -2.002  -2.173  -1.827
  574    H    VAL  80           H        VAL  80  -0.113  -4.037  -3.811
  575    HA   VAL  80           HA       VAL  80  -2.266  -5.733  -4.397
  576    HB   VAL  80           HB       VAL  80   0.358  -5.229  -5.814
  577   1HG1  VAL  80          3HG1      VAL  80  -0.678  -7.347  -6.546
  578   2HG1  VAL  80          1HG1      VAL  80  -2.191  -6.477  -6.898
  579   3HG1  VAL  80          2HG1      VAL  80  -0.717  -6.109  -7.825
  580   1HG2  VAL  80          3HG2      VAL  80  -1.229  -3.273  -5.366
  581   2HG2  VAL  80          1HG2      VAL  80  -0.756  -3.556  -7.059
  582   3HG2  VAL  80          2HG2      VAL  80  -2.358  -4.076  -6.484
  583    H    GLY  81           H        GLY  81   1.117  -6.302  -3.354
  584   1HA   GLY  81          1HA       GLY  81   1.420  -8.971  -3.907
  585   2HA   GLY  81          2HA       GLY  81   2.098  -8.146  -2.518
  586    H    CYS  82           H        CYS  82   0.179  -7.582  -0.774
  587    HA   CYS  82           HA       CYS  82  -0.559 -10.070   0.240
  588   1HB   CYS  82          1HB       CYS  82  -0.160  -8.087   1.647
  589   2HB   CYS  82          2HB       CYS  82  -1.585  -7.311   0.987
  590    H    HIS  83           H        HIS  83  -2.342  -7.465  -1.533
  591    HA   HIS  83           HA       HIS  83  -4.871  -8.501  -1.350
  592   1HB   HIS  83          1HB       HIS  83  -3.451  -6.807  -3.387
  593   2HB   HIS  83          2HB       HIS  83  -5.090  -7.344  -3.697
  594    HD1  HIS  83           HD1      HIS  83  -5.945  -4.869  -3.541
  595    HD2  HIS  83           HD2      HIS  83  -4.229  -6.349  -0.012
  596    HE1  HIS  83           HE1      HIS  83  -6.577  -3.224  -1.695
  597    H    VAL  84           H        VAL  84  -2.220  -9.293  -3.667
  598    HA   VAL  84           HA       VAL  84  -3.678 -10.937  -5.345
  599    HB   VAL  84           HB       VAL  84  -0.781 -11.022  -4.486
  600   1HG1  VAL  84          3HG1      VAL  84  -2.322 -12.677  -6.422
  601   2HG1  VAL  84          1HG1      VAL  84  -0.735 -12.079  -6.963
  602   3HG1  VAL  84          2HG1      VAL  84  -0.858 -13.065  -5.486
  603   1HG2  VAL  84          2HG2      VAL  84  -2.209  -9.112  -5.970
  604   2HG2  VAL  84          3HG2      VAL  84  -0.442  -9.278  -5.837
  605   3HG2  VAL  84          1HG2      VAL  84  -1.312 -10.070  -7.173
  606    H    GLU  85           H        GLU  85  -2.069 -11.605  -2.192
  607    HA   GLU  85           HA       GLU  85  -2.657 -14.366  -2.341
  608   1HB   GLU  85          1HB       GLU  85  -1.348 -12.501  -0.448
  609   2HB   GLU  85          2HB       GLU  85  -2.187 -13.821   0.343
  610   1HG   GLU  85          1HG       GLU  85  -0.745 -14.866  -1.952
  611   2HG   GLU  85          2HG       GLU  85   0.351 -13.898  -0.987
  612    H    VAL  86           H        VAL  86  -4.236 -11.449  -1.023
  613    HA   VAL  86           HA       VAL  86  -6.118 -12.857   0.560
  614    HB   VAL  86           HB       VAL  86  -6.061 -10.055  -0.573
  615   1HG1  VAL  86          3HG1      VAL  86  -7.924 -11.307   1.469
  616   2HG1  VAL  86          1HG1      VAL  86  -7.757  -9.555   1.206
  617   3HG1  VAL  86          2HG1      VAL  86  -8.358 -10.598  -0.105
  618   1HG2  VAL  86          2HG2      VAL  86  -4.566 -11.287   1.495
  619   2HG2  VAL  86          3HG2      VAL  86  -4.642  -9.559   1.074
  620   3HG2  VAL  86          1HG2      VAL  86  -5.760 -10.231   2.285
  621    H    ALA  87           H        ALA  87  -6.249 -11.281  -2.708
  622    HA   ALA  87           HA       ALA  87  -8.894 -12.080  -3.216
  623   1HB   ALA  87          1HB       ALA  87  -6.566 -11.015  -4.791
  624   2HB   ALA  87          2HB       ALA  87  -7.960 -11.682  -5.674
  625   3HB   ALA  87          3HB       ALA  87  -8.187 -10.322  -4.548
  626    H    GLY  88           H        GLY  88  -5.872 -13.799  -3.134
  627   1HA   GLY  88          1HA       GLY  88  -5.230 -15.831  -3.900
  628   2HA   GLY  88          2HA       GLY  88  -6.816 -16.308  -3.327
  629    H    ALA  89           H        ALA  89  -8.125 -17.301  -4.795
  630    HA   ALA  89           HA       ALA  89  -7.543 -16.787  -7.629
  631   1HB   ALA  89          2HB       ALA  89  -7.513 -19.164  -6.235
  632   2HB   ALA  89          3HB       ALA  89  -9.163 -19.151  -6.903
  633   3HB   ALA  89          1HB       ALA  89  -7.762 -19.015  -7.992
  634    H    ASP  90           H        ASP  90  -8.861 -14.783  -7.436
  635    HA   ASP  90           HA       ASP  90 -11.579 -15.440  -8.022
  636   1HB   ASP  90          1HB       ASP  90 -11.356 -15.033  -5.462
  637   2HB   ASP  90          2HB       ASP  90 -11.017 -13.362  -5.867
  638    H    ALA  91           H        ALA  91 -11.272 -14.484 -10.099
  639    HA   ALA  91           HA       ALA  91  -9.746 -12.335 -10.745
  640   1HB   ALA  91          3HB       ALA  91 -12.112 -13.730 -11.855
  641   2HB   ALA  91          1HB       ALA  91 -11.884 -12.066 -12.444
  642   3HB   ALA  91          2HB       ALA  91 -10.584 -13.266 -12.640
  643    H    ALA  92           H        ALA  92 -13.184 -12.333  -9.603
  644    HA   ALA  92           HA       ALA  92 -13.791  -9.713  -9.847
  645   1HB   ALA  92          1HB       ALA  92 -14.688 -11.987  -8.340
  646   2HB   ALA  92          2HB       ALA  92 -14.691 -10.567  -7.267
  647   3HB   ALA  92          3HB       ALA  92 -15.600 -10.528  -8.797
  648    H    LYS  93           H        LYS  93 -12.327 -11.160  -6.842
  649    HA   LYS  93           HA       LYS  93 -11.721  -8.638  -5.757
  650   1HB   LYS  93          1HB       LYS  93 -10.888 -11.468  -5.122
  651   2HB   LYS  93          2HB       LYS  93 -10.219 -10.106  -4.247
  652   1HG   LYS  93          1HG       LYS  93 -12.734  -9.363  -3.949
  653   2HG   LYS  93          2HG       LYS  93 -13.111 -11.019  -4.382
  654   1HD   LYS  93          1HD       LYS  93 -11.390 -11.701  -2.539
  655   2HD   LYS  93          2HD       LYS  93 -11.489 -10.036  -2.002
  656   1HE   LYS  93          1HE       LYS  93 -13.545 -10.346  -1.056
  657   2HE   LYS  93          2HE       LYS  93 -14.161 -11.193  -2.461
  658   1HZ   LYS  93          1HZ       LYS  93 -12.231 -12.638  -0.806
  659   2HZ   LYS  93          2HZ       LYS  93 -13.720 -12.436  -0.177
  660    H    LYS  94           H        LYS  94 -10.005 -10.890  -7.925
  661    HA   LYS  94           HA       LYS  94  -7.477  -9.673  -7.645
  662   1HB   LYS  94          1HB       LYS  94  -8.312 -11.994  -8.679
  663   2HB   LYS  94          2HB       LYS  94  -8.251 -11.073 -10.167
  664   1HG   LYS  94          1HG       LYS  94  -5.869 -10.315  -9.341
  665   2HG   LYS  94          2HG       LYS  94  -5.987 -11.667  -8.232
  666   1HD   LYS  94          1HD       LYS  94  -6.442 -13.192 -10.197
  667   2HD   LYS  94          2HD       LYS  94  -6.216 -11.828 -11.275
  668   1HE   LYS  94          1HE       LYS  94  -4.102 -12.827  -9.306
  669   2HE   LYS  94          2HE       LYS  94  -4.149 -13.262 -11.003
  670   1HZ   LYS  94          1HZ       LYS  94  -2.810 -11.152 -10.127
  671   2HZ   LYS  94          2HZ       LYS  94  -3.461 -11.181 -11.619
  672    H    LYS  95           H        LYS  95 -10.401  -8.488  -8.873
  673    HA   LYS  95           HA       LYS  95  -8.931  -6.604 -10.584
  674   1HB   LYS  95          1HB       LYS  95 -10.792  -8.358 -11.490
  675   2HB   LYS  95          2HB       LYS  95 -11.831  -7.013 -11.066
  676   1HG   LYS  95          1HG       LYS  95 -10.762  -5.530 -12.578
  677   2HG   LYS  95          2HG       LYS  95  -9.295  -6.487 -12.638
  678   1HD   LYS  95          1HD       LYS  95 -11.927  -7.610 -13.667
  679   2HD   LYS  95          2HD       LYS  95 -10.934  -6.582 -14.681
  680   1HE   LYS  95          1HE       LYS  95  -8.971  -8.205 -14.071
  681   2HE   LYS  95          2HE       LYS  95 -10.220  -9.293 -13.498
  682   1HZ   LYS  95          1HZ       LYS  95  -9.704  -9.717 -15.831
  683   2HZ   LYS  95          2HZ       LYS  95 -11.240  -9.185 -15.722
  684    H    ASP  96           H        ASP  96 -10.560  -7.109  -7.661
  685    HA   ASP  96           HA       ASP  96 -11.464  -4.343  -7.629
  686   1HB   ASP  96          1HB       ASP  96 -12.551  -6.830  -6.596
  687   2HB   ASP  96          2HB       ASP  96 -12.250  -5.748  -5.250
  688    H    LEU  97           H        LEU  97  -9.176  -6.713  -6.417
  689    HA   LEU  97           HA       LEU  97  -8.348  -4.874  -4.284
  690   1HB   LEU  97          1HB       LEU  97  -8.090  -7.852  -4.628
  691   2HB   LEU  97          2HB       LEU  97  -7.072  -6.964  -3.511
  692    HG   LEU  97           HG       LEU  97 -10.074  -7.298  -3.423
  693   1HD1  LEU  97          2HD1      LEU  97  -8.361  -9.026  -2.495
  694   2HD1  LEU  97          3HD1      LEU  97  -8.157  -7.847  -1.177
  695   3HD1  LEU  97          1HD1      LEU  97  -9.761  -8.547  -1.505
  696   1HD2  LEU  97          1HD2      LEU  97  -8.362  -5.203  -2.160
  697   2HD2  LEU  97          2HD2      LEU  97 -10.037  -5.116  -2.757
  698   3HD2  LEU  97          3HD2      LEU  97  -9.687  -5.907  -1.201
  699    H    THR  98           H        THR  98  -7.180  -6.975  -6.988
  700    HA   THR  98           HA       THR  98  -4.720  -5.357  -7.004
  701    HB   THR  98           HB       THR  98  -3.653  -7.328  -7.953
  702    HG1  THR  98           HG1      THR  98  -5.523  -7.862  -9.328
  703   1HG2  THR  98          1HG2      THR  98  -5.696  -8.294  -5.883
  704   2HG2  THR  98          2HG2      THR  98  -4.202  -9.145  -6.344
  705   3HG2  THR  98          3HG2      THR  98  -4.112  -7.583  -5.493
  706    H    GLY  99           H        GLY  99  -7.564  -4.888  -8.198
  707   1HA   GLY  99          1HA       GLY  99  -7.326  -5.094 -11.001
  708   2HA   GLY  99          2HA       GLY  99  -8.428  -4.067 -10.105
  709    H    CYS 100           H        CYS 100  -6.787  -3.519 -12.583
  710    HA   CYS 100           HA       CYS 100  -4.816  -1.635 -11.663
  711   1HB   CYS 100          1HB       CYS 100  -5.671  -2.710 -14.321
  712   2HB   CYS 100          2HB       CYS 100  -4.812  -1.183 -14.264
  713    H    LYS 101           H        LYS 101  -7.747  -1.531 -13.834
  714    HA   LYS 101           HA       LYS 101  -8.239   1.171 -12.789
  715   1HB   LYS 101          1HB       LYS 101  -7.423   1.196 -15.122
  716   2HB   LYS 101          2HB       LYS 101  -8.743   0.148 -15.599
  717   1HG   LYS 101          1HG       LYS 101 -10.227   2.041 -14.396
  718   2HG   LYS 101          2HG       LYS 101  -8.829   3.039 -14.739
  719   1HD   LYS 101          1HD       LYS 101  -9.806   1.319 -16.994
  720   2HD   LYS 101          2HD       LYS 101 -10.856   2.640 -16.521
  721   1HE   LYS 101          1HE       LYS 101  -9.139   4.292 -16.934
  722   2HE   LYS 101          2HE       LYS 101  -7.885   3.073 -17.034
  723   1HZ   LYS 101          1HZ       LYS 101  -9.805   3.863 -19.059
  724   2HZ   LYS 101          2HZ       LYS 101  -8.302   3.265 -19.248
  725    H    LYS 102           H        LYS 102 -10.331   1.658 -12.128
  726    HA   LYS 102           HA       LYS 102 -12.439   1.324 -11.547
  727   1HB   LYS 102          1HB       LYS 102 -12.205  -0.281 -13.970
  728   2HB   LYS 102          2HB       LYS 102 -13.378  -0.958 -12.858
  729   1HG   LYS 102          1HG       LYS 102 -14.504   1.263 -12.677
  730   2HG   LYS 102          2HG       LYS 102 -13.319   1.961 -13.763
  731   1HD   LYS 102          1HD       LYS 102 -14.066   0.030 -15.413
  732   2HD   LYS 102          2HD       LYS 102 -15.482  -0.072 -14.387
  733   1HE   LYS 102          1HE       LYS 102 -15.988   2.318 -14.776
  734   2HE   LYS 102          2HE       LYS 102 -14.511   2.512 -15.699
  735   1HZ   LYS 102          1HZ       LYS 102 -15.588   0.539 -17.073
  736   2HZ   LYS 102          2HZ       LYS 102 -16.978   1.149 -16.484
  737    H    SER 103           H        SER 103 -10.518   0.529  -9.808
  738    HA   SER 103           HA       SER 103 -11.632  -1.976  -8.815
  739   1HB   SER 103          1HB       SER 103  -9.097  -1.796  -7.664
  740   2HB   SER 103          2HB       SER 103  -9.550  -2.844  -8.993
  741    HG   SER 103           HG       SER 103  -8.570  -0.132  -9.289
  742    H    LYS 104           H        LYS 104 -10.458  -2.006  -6.267
  743    HA   LYS 104           HA       LYS 104 -11.980   0.036  -4.982
  744   1HB   LYS 104          1HB       LYS 104 -10.199  -2.186  -3.951
  745   2HB   LYS 104          2HB       LYS 104 -11.062  -1.079  -2.904
  746   1HG   LYS 104          1HG       LYS 104 -12.674  -2.391  -5.071
  747   2HG   LYS 104          2HG       LYS 104 -12.122  -3.432  -3.775
  748   1HD   LYS 104          1HD       LYS 104 -13.067  -1.110  -2.460
  749   2HD   LYS 104          2HD       LYS 104 -14.229  -1.389  -3.742
  750   1HE   LYS 104          1HE       LYS 104 -13.341  -3.764  -2.104
  751   2HE   LYS 104          2HE       LYS 104 -14.440  -2.620  -1.360
  752   1HZ   LYS 104          1HZ       LYS 104 -14.922  -4.376  -3.649
  753   2HZ   LYS 104          2HZ       LYS 104 -15.930  -3.978  -2.433
  754    H    CYS 105           H        CYS 105  -8.625  -0.444  -5.976
  755    HA   CYS 105           HA       CYS 105  -7.690   1.651  -4.237
  756   1HB   CYS 105          1HB       CYS 105  -6.276   0.036  -6.384
  757   2HB   CYS 105          2HB       CYS 105  -5.499   1.238  -5.373
  758    H    HIS 106           H        HIS 106  -7.662   1.028  -7.832
  759    HA   HIS 106           HA       HIS 106  -7.674   3.912  -8.222
  760   1HB   HIS 106          1HB       HIS 106  -7.109   1.608 -10.106
  761   2HB   HIS 106          2HB       HIS 106  -7.151   3.289 -10.599
  762    HD1  HIS 106           HD1      HIS 106  -5.443   4.850  -8.870
  763    HD2  HIS 106           HD2      HIS 106  -4.561   0.812  -9.589
  764    HE1  HIS 106           HE1      HIS 106  -2.968   4.551  -8.327
  765    H    GLU 107           H        GLU 107  -9.438   5.012  -8.982
  766    HA   GLU 107           HA       GLU 107 -11.662   3.334  -9.851
  767   1HB   GLU 107          1HB       GLU 107 -11.694   5.882  -8.183
  768   2HB   GLU 107          2HB       GLU 107 -13.135   5.212  -8.921
  769   1HG   GLU 107          1HG       GLU 107 -11.847   3.031  -7.601
  770   2HG   GLU 107          2HG       GLU 107 -11.775   4.378  -6.483
  771    HHA  HEC 108           HHA      HEC 108  -0.886   6.659   7.343
  772    HHB  HEC 108           HHB      HEC 108  -1.665   4.129  13.181
  773    HHC  HEC 108           HHC      HEC 108  -2.516  -1.659  10.564
  774    HHD  HEC 108           HHD      HEC 108  -1.091   0.796   4.759
  775   1HMA  HEC 108          1HMA      HEC 108  -0.701   7.744  12.495
  776   2HMA  HEC 108          2HMA      HEC 108  -2.165   6.864  12.997
  777   3HMA  HEC 108          3HMA      HEC 108  -0.556   6.177  13.327
  778   1HAA  HEC 108          1HAA      HEC 108  -1.082   8.224   8.721
  779   2HAA  HEC 108          2HAA      HEC 108  -1.145   8.667  10.444
  780   1HBA  HEC 108          1HBA      HEC 108   1.380   7.467   9.996
  781   2HBA  HEC 108          2HBA      HEC 108   1.095   8.616   8.667
  782   1HMB  HEC 108          1HMB      HEC 108  -3.241   1.229  14.972
  783   2HMB  HEC 108          2HMB      HEC 108  -1.561   1.818  15.005
  784   3HMB  HEC 108          3HMB      HEC 108  -2.882   2.919  14.544
  785    HAB  HEC 108           HAB      HEC 108  -3.153  -1.762  12.443
  786   1HBB  HEC 108          1HBB      HEC 108  -4.827  -1.728  13.917
  787   2HBB  HEC 108          2HBB      HEC 108  -3.889  -0.798  15.110
  788   3HBB  HEC 108          3HBB      HEC 108  -4.725   0.044  13.783
  789   1HMC  HEC 108          1HMC      HEC 108  -3.591  -3.224   7.787
  790   2HMC  HEC 108          2HMC      HEC 108  -1.886  -3.701   7.604
  791   3HMC  HEC 108          3HMC      HEC 108  -2.497  -3.176   9.191
  792    HAC  HEC 108           HAC      HEC 108  -1.990  -1.095   4.453
  793   1HBC  HEC 108          1HBC      HEC 108  -3.711  -2.705   5.661
  794   2HBC  HEC 108          2HBC      HEC 108  -3.045  -3.073   4.052
  795   3HBC  HEC 108          3HBC      HEC 108  -2.369  -3.863   5.497
  796   1HMD  HEC 108          1HMD      HEC 108   0.117   2.153   3.426
  797   2HMD  HEC 108          2HMD      HEC 108  -1.386   2.969   2.934
  798   3HMD  HEC 108          3HMD      HEC 108   0.150   3.869   2.956
  799   1HAD  HEC 108          1HAD      HEC 108  -0.580   6.847   5.364
  800   2HAD  HEC 108          2HAD      HEC 108   0.827   6.062   4.609
  801   1HBD  HEC 108          1HBD      HEC 108  -1.376   5.259   3.074
  802   2HBD  HEC 108          2HBD      HEC 108  -1.631   6.987   3.416
  803    HHA  HEC 109           HHA      HEC 109  11.697  -2.239   1.618
  804    HHB  HEC 109           HHB      HEC 109   5.325  -1.599   1.312
  805    HHC  HEC 109           HHC      HEC 109   5.620   3.329   5.400
  806    HHD  HEC 109           HHD      HEC 109  12.079   3.290   4.842
  807   1HMA  HEC 109          1HMA      HEC 109   5.854  -3.069   0.046
  808   2HMA  HEC 109          2HMA      HEC 109   7.190  -3.837  -0.845
  809   3HMA  HEC 109          3HMA      HEC 109   6.663  -4.504   0.719
  810   1HAA  HEC 109          1HAA      HEC 109  10.968  -3.879   0.710
  811   2HAA  HEC 109          2HAA      HEC 109   9.515  -4.825   0.307
  812   1HBA  HEC 109          1HBA      HEC 109   9.283  -3.508  -1.778
  813   2HBA  HEC 109          2HBA      HEC 109  10.802  -2.669  -1.383
  814   1HMB  HEC 109          1HMB      HEC 109   3.203  -1.445   2.890
  815   2HMB  HEC 109          2HMB      HEC 109   2.302   0.090   2.921
  816   3HMB  HEC 109          3HMB      HEC 109   3.189  -0.392   1.455
  817    HAB  HEC 109           HAB      HEC 109   3.727   2.761   5.300
  818   1HBB  HEC 109          1HBB      HEC 109   2.603   0.134   5.070
  819   2HBB  HEC 109          2HBB      HEC 109   2.297   1.394   6.289
  820   3HBB  HEC 109          3HBB      HEC 109   1.333   1.350   4.793
  821   1HMC  HEC 109          1HMC      HEC 109   7.761   5.204   7.611
  822   2HMC  HEC 109          2HMC      HEC 109   7.533   6.128   6.107
  823   3HMC  HEC 109          3HMC      HEC 109   6.390   4.834   6.538
  824    HAC  HEC 109           HAC      HEC 109  11.624   4.811   5.986
  825   1HBC  HEC 109          1HBC      HEC 109   9.740   5.884   8.068
  826   2HBC  HEC 109          2HBC      HEC 109  10.455   4.261   8.221
  827   3HBC  HEC 109          3HBC      HEC 109  11.508   5.693   8.128
  828   1HMD  HEC 109          1HMD      HEC 109  14.360   1.586   5.061
  829   2HMD  HEC 109          2HMD      HEC 109  15.047   1.430   3.426
  830   3HMD  HEC 109          3HMD      HEC 109  14.059   2.850   3.845
  831   1HAD  HEC 109          1HAD      HEC 109  13.655  -1.951   2.159
  832   2HAD  HEC 109          2HAD      HEC 109  14.351  -0.517   1.365
  833   1HBD  HEC 109          1HBD      HEC 109  14.991  -0.470   4.168
  834   2HBD  HEC 109          2HBD      HEC 109  15.436  -2.044   3.466
  835    HHA  HEC 110           HHA      HEC 110 -10.196  -4.760   0.863
  836    HHB  HEC 110           HHB      HEC 110  -6.372   0.104  -0.820
  837    HHC  HEC 110           HHC      HEC 110  -1.456  -2.773   2.110
  838    HHD  HEC 110           HHD      HEC 110  -5.162  -7.884   3.307
  839   1HMA  HEC 110          1HMA      HEC 110 -10.029   0.282  -0.924
  840   2HMA  HEC 110          2HMA      HEC 110  -8.306   0.691  -1.106
  841   3HMA  HEC 110          3HMA      HEC 110  -9.130  -0.271  -2.357
  842   1HAA  HEC 110          1HAA      HEC 110 -11.329  -1.640  -1.010
  843   2HAA  HEC 110          2HAA      HEC 110 -11.154  -3.411  -1.024
  844   1HBA  HEC 110          1HBA      HEC 110 -12.705  -3.164   0.628
  845   2HBA  HEC 110          2HBA      HEC 110 -11.215  -3.094   1.601
  846   1HMB  HEC 110          1HMB      HEC 110  -3.816   0.776  -1.901
  847   2HMB  HEC 110          2HMB      HEC 110  -4.670   1.554  -0.546
  848   3HMB  HEC 110          3HMB      HEC 110  -2.891   1.538  -0.585
  849    HAB  HEC 110           HAB      HEC 110  -0.749  -1.119   1.243
  850   1HBB  HEC 110          1HBB      HEC 110  -0.256   1.026   1.636
  851   2HBB  HEC 110          2HBB      HEC 110  -0.962   1.578   0.098
  852   3HBB  HEC 110          3HBB      HEC 110  -2.012   1.288   1.505
  853   1HMC  HEC 110          1HMC      HEC 110  -0.276  -5.478   3.856
  854   2HMC  HEC 110          2HMC      HEC 110  -0.053  -6.137   2.218
  855   3HMC  HEC 110          3HMC      HEC 110  -0.200  -4.380   2.458
  856    HAC  HEC 110           HAC      HEC 110  -3.228  -8.109   4.306
  857   1HBC  HEC 110          1HBC      HEC 110  -0.310  -7.551   3.739
  858   2HBC  HEC 110          2HBC      HEC 110  -1.201  -6.927   5.147
  859   3HBC  HEC 110          3HBC      HEC 110  -0.992  -8.681   4.933
  860   1HMD  HEC 110          1HMD      HEC 110  -6.767  -9.050   3.541
  861   2HMD  HEC 110          2HMD      HEC 110  -8.094  -8.456   4.567
  862   3HMD  HEC 110          3HMD      HEC 110  -8.457  -9.339   3.064
  863   1HAD  HEC 110          1HAD      HEC 110 -10.392  -8.001   2.896
  864   2HAD  HEC 110          2HAD      HEC 110 -10.865  -6.287   2.803
  865   1HBD  HEC 110          1HBD      HEC 110 -11.598  -6.509   0.714
  866   2HBD  HEC 110          2HBD      HEC 110 -10.135  -7.382   0.199
  867    HHA  HEC 111           HHA      HEC 111   0.400   5.490  -7.655
  868    HHB  HEC 111           HHB      HEC 111  -0.708   2.001 -12.918
  869    HHC  HEC 111           HHC      HEC 111  -3.392  -2.589  -9.344
  870    HHD  HEC 111           HHD      HEC 111  -3.045   1.344  -4.192
  871   1HMA  HEC 111          1HMA      HEC 111   1.595   3.777 -13.040
  872   2HMA  HEC 111          2HMA      HEC 111  -0.100   4.080 -13.491
  873   3HMA  HEC 111          3HMA      HEC 111   0.917   5.417 -12.901
  874   1HAA  HEC 111          1HAA      HEC 111   0.625   6.883 -10.720
  875   2HAA  HEC 111          2HAA      HEC 111   1.277   6.404  -9.135
  876   1HBA  HEC 111          1HBA      HEC 111   3.325   5.978  -9.963
  877   2HBA  HEC 111          2HBA      HEC 111   2.694   5.297 -11.481
  878   1HMB  HEC 111          1HMB      HEC 111  -0.841   0.393 -14.053
  879   2HMB  HEC 111          2HMB      HEC 111  -0.353  -1.300 -13.800
  880   3HMB  HEC 111          3HMB      HEC 111  -2.009  -0.921 -14.332
  881    HAB  HEC 111           HAB      HEC 111  -3.498  -3.148 -11.405
  882   1HBB  HEC 111          1HBB      HEC 111  -1.013  -4.115 -12.627
  883   2HBB  HEC 111          2HBB      HEC 111  -0.821  -3.508 -10.965
  884   3HBB  HEC 111          3HBB      HEC 111  -1.997  -4.798 -11.311
  885   1HMC  HEC 111          1HMC      HEC 111  -4.580  -3.337  -7.847
  886   2HMC  HEC 111          2HMC      HEC 111  -4.267  -3.641  -6.122
  887   3HMC  HEC 111          3HMC      HEC 111  -5.745  -2.783  -6.621
  888    HAC  HEC 111           HAC      HEC 111  -3.835  -0.408  -3.571
  889   1HBC  HEC 111          1HBC      HEC 111  -3.315  -2.939  -4.231
  890   2HBC  HEC 111          2HBC      HEC 111  -4.067  -2.480  -2.684
  891   3HBC  HEC 111          3HBC      HEC 111  -5.078  -3.070  -4.025
  892   1HMD  HEC 111          1HMD      HEC 111  -2.594   3.148  -2.979
  893   2HMD  HEC 111          2HMD      HEC 111  -0.893   2.686  -2.733
  894   3HMD  HEC 111          3HMD      HEC 111  -1.349   4.406  -2.791
  895   1HAD  HEC 111          1HAD      HEC 111   0.624   5.270  -3.988
  896   2HAD  HEC 111          2HAD      HEC 111   0.870   5.792  -5.672
  897   1HBD  HEC 111          1HBD      HEC 111  -1.287   6.989  -5.588
  898   2HBD  HEC 111          2HBD      HEC 111  -1.463   6.513  -3.882
   
  No H/Q in entry =         898
  Start of MODEL    5
    1   1H    ALA   1          1H        ALA   1  -0.243   3.308  23.762
    2   2H    ALA   1          2H        ALA   1  -1.772   3.302  23.126
    3    HA   ALA   1           HA       ALA   1   0.603   3.906  21.907
    4   1HB   ALA   1          3HB       ALA   1  -0.439   1.197  21.360
    5   2HB   ALA   1          1HB       ALA   1  -0.186   2.184  19.901
    6   3HB   ALA   1          2HB       ALA   1   1.163   1.895  21.025
    7    HA   PRO   2           HA       PRO   2  -2.288   6.214  19.663
    8   1HB   PRO   2          1HB       PRO   2  -1.149   6.576  17.205
    9   2HB   PRO   2          2HB       PRO   2  -0.670   7.483  18.626
   10   1HG   PRO   2          1HG       PRO   2   0.744   5.263  17.280
   11   2HG   PRO   2          2HG       PRO   2   1.377   6.443  18.410
   12   1HD   PRO   2          1HD       PRO   2   0.720   3.707  18.972
   13   2HD   PRO   2          2HD       PRO   2   1.243   4.918  20.126
   14    H    LYS   3           H        LYS   3  -4.268   6.005  18.785
   15    HA   LYS   3           HA       LYS   3  -4.811   3.441  17.658
   16   1HB   LYS   3          1HB       LYS   3  -6.278   5.598  18.859
   17   2HB   LYS   3          2HB       LYS   3  -7.005   5.222  17.310
   18   1HG   LYS   3          1HG       LYS   3  -6.234   2.947  19.152
   19   2HG   LYS   3          2HG       LYS   3  -7.688   3.860  19.499
   20   1HD   LYS   3          1HD       LYS   3  -8.394   3.445  17.056
   21   2HD   LYS   3          2HD       LYS   3  -7.050   2.326  16.941
   22   1HE   LYS   3          1HE       LYS   3  -8.182   0.702  18.066
   23   2HE   LYS   3          2HE       LYS   3  -8.619   1.800  19.360
   24   1HZ   LYS   3          1HZ       LYS   3 -10.610   2.277  18.366
   25   2HZ   LYS   3          2HZ       LYS   3 -10.047   2.164  16.842
   26    H    ALA   4           H        ALA   4  -6.103   3.291  15.531
   27    HA   ALA   4           HA       ALA   4  -4.446   4.252  13.475
   28   1HB   ALA   4          1HB       ALA   4  -5.702   2.144  13.352
   29   2HB   ALA   4          2HB       ALA   4  -7.240   3.039  13.416
   30   3HB   ALA   4          3HB       ALA   4  -6.163   3.219  12.010
   31    HA   PRO   5           HA       PRO   5  -6.272   8.071  12.593
   32   1HB   PRO   5          1HB       PRO   5  -5.706   8.372   9.936
   33   2HB   PRO   5          2HB       PRO   5  -4.535   8.673  11.206
   34   1HG   PRO   5          1HG       PRO   5  -4.714   6.372   9.358
   35   2HG   PRO   5          2HG       PRO   5  -3.351   6.902  10.322
   36   1HD   PRO   5          1HD       PRO   5  -5.086   4.686  10.876
   37   2HD   PRO   5          2HD       PRO   5  -3.795   5.287  11.898
   38    H    ALA   6           H        ALA   6  -7.902   9.330  11.347
   39    HA   ALA   6           HA       ALA   6 -10.268   7.912  11.306
   40   1HB   ALA   6          2HB       ALA   6  -9.715  10.476  11.323
   41   2HB   ALA   6          3HB       ALA   6  -9.797  10.324   9.551
   42   3HB   ALA   6          1HB       ALA   6 -11.214   9.913  10.546
   43    H    ASP   7           H        ASP   7 -11.673   8.141   9.028
   44    HA   ASP   7           HA       ASP   7 -10.237   6.319   7.307
   45   1HB   ASP   7          1HB       ASP   7 -12.644   6.238   6.220
   46   2HB   ASP   7          2HB       ASP   7 -12.349   5.417   7.740
   47    H    GLY   8           H        GLY   8 -10.874   6.636   4.813
   48   1HA   GLY   8          1HA       GLY   8 -11.117   7.964   2.979
   49   2HA   GLY   8          2HA       GLY   8 -11.423   9.351   4.005
   50    H    LEU   9           H        LEU   9  -8.599   7.367   4.732
   51    HA   LEU   9           HA       LEU   9  -6.892   9.600   4.244
   52   1HB   LEU   9          1HB       LEU   9  -6.378   8.351   6.135
   53   2HB   LEU   9          2HB       LEU   9  -6.558   6.817   5.306
   54    HG   LEU   9           HG       LEU   9  -4.185   7.877   5.950
   55   1HD1  LEU   9          3HD1      LEU   9  -4.880   5.635   4.832
   56   2HD1  LEU   9          1HD1      LEU   9  -4.371   6.430   3.323
   57   3HD1  LEU   9          2HD1      LEU   9  -3.210   6.225   4.656
   58   1HD2  LEU   9          3HD2      LEU   9  -4.876   9.780   4.221
   59   2HD2  LEU   9          1HD2      LEU   9  -3.192   9.236   4.419
   60   3HD2  LEU   9          2HD2      LEU   9  -4.171   8.624   3.065
   61    H    LYS  10           H        LYS  10  -6.588  10.173   2.133
   62    HA   LYS  10           HA       LYS  10  -5.859   7.990   0.308
   63   1HB   LYS  10          1HB       LYS  10  -7.149   8.893  -1.287
   64   2HB   LYS  10          2HB       LYS  10  -7.943   9.727   0.033
   65   1HG   LYS  10          1HG       LYS  10  -5.979  11.507  -0.314
   66   2HG   LYS  10          2HG       LYS  10  -5.877  10.783  -1.907
   67   1HD   LYS  10          1HD       LYS  10  -8.609  11.551  -0.883
   68   2HD   LYS  10          2HD       LYS  10  -7.535  12.839  -1.393
   69   1HE   LYS  10          1HE       LYS  10  -8.537  12.372  -3.436
   70   2HE   LYS  10          2HE       LYS  10  -7.187  11.259  -3.534
   71   1HZ   LYS  10          1HZ       LYS  10  -9.858  10.487  -2.489
   72   2HZ   LYS  10          2HZ       LYS  10  -9.372  10.210  -4.018
   73    H    MET  11           H        MET  11  -4.043   8.298  -1.094
   74    HA   MET  11           HA       MET  11  -2.318  10.474  -0.189
   75   1HB   MET  11          1HB       MET  11  -0.413   8.839  -0.731
   76   2HB   MET  11          2HB       MET  11  -1.408   8.362   0.630
   77   1HG   MET  11          1HG       MET  11  -2.547   7.337  -1.866
   78   2HG   MET  11          2HG       MET  11  -0.872   6.845  -1.716
   79   1HE   MET  11          3HE       MET  11   0.119   5.546  -0.252
   80   2HE   MET  11          1HE       MET  11  -0.569   4.542   1.046
   81   3HE   MET  11          2HE       MET  11  -0.868   4.122  -0.658
   82    H    GLU  12           H        GLU  12  -2.010  11.955  -1.791
   83    HA   GLU  12           HA       GLU  12  -2.111  10.932  -4.519
   84   1HB   GLU  12          1HB       GLU  12  -3.846  12.654  -3.784
   85   2HB   GLU  12          2HB       GLU  12  -2.539  13.808  -3.609
   86   1HG   GLU  12          1HG       GLU  12  -2.813  12.290  -6.214
   87   2HG   GLU  12          2HG       GLU  12  -3.892  13.634  -5.897
   88    H    ALA  13           H        ALA  13   0.229  10.267  -3.965
   89    HA   ALA  13           HA       ALA  13   2.043  12.557  -4.037
   90   1HB   ALA  13          3HB       ALA  13   2.063  10.299  -2.506
   91   2HB   ALA  13          1HB       ALA  13   3.092   9.781  -3.863
   92   3HB   ALA  13          2HB       ALA  13   3.523  11.229  -2.922
   93    H    THR  14           H        THR  14   0.438  10.335  -6.089
   94    HA   THR  14           HA       THR  14   2.385  10.923  -8.211
   95    HB   THR  14           HB       THR  14   2.352   8.641  -8.929
   96    HG1  THR  14           HG1      THR  14   0.099   8.525  -7.049
   97   1HG2  THR  14          2HG2      THR  14   2.088   8.555  -5.876
   98   2HG2  THR  14          3HG2      THR  14   2.706   7.225  -6.885
   99   3HG2  THR  14          1HG2      THR  14   3.609   8.756  -6.779
  100    H    LYS  15           H        LYS  15   1.266  10.265 -10.441
  101    HA   LYS  15           HA       LYS  15  -0.889  12.054 -10.676
  102   1HB   LYS  15          1HB       LYS  15   0.848  11.499 -12.420
  103   2HB   LYS  15          2HB       LYS  15   0.024   9.975 -12.680
  104   1HG   LYS  15          1HG       LYS  15  -1.910  11.008 -13.562
  105   2HG   LYS  15          2HG       LYS  15  -1.589  12.533 -12.761
  106   1HD   LYS  15          1HD       LYS  15   0.090  13.156 -14.327
  107   2HD   LYS  15          2HD       LYS  15   0.342  11.507 -14.863
  108   1HE   LYS  15          1HE       LYS  15  -2.207  11.674 -15.629
  109   2HE   LYS  15          2HE       LYS  15  -1.915  13.400 -15.561
  110   1HZ   LYS  15          1HZ       LYS  15   0.129  12.878 -16.993
  111   2HZ   LYS  15          2HZ       LYS  15  -0.535  11.417 -17.266
  112    H    GLN  16           H        GLN  16  -0.728   8.874  -9.468
  113    HA   GLN  16           HA       GLN  16  -3.579   8.575 -10.009
  114   1HB   GLN  16          1HB       GLN  16  -1.634   6.267  -9.609
  115   2HB   GLN  16          2HB       GLN  16  -3.308   6.166 -10.117
  116   1HG   GLN  16          1HG       GLN  16  -1.767   7.957 -11.868
  117   2HG   GLN  16          2HG       GLN  16  -1.045   6.363 -11.796
  118   1HE2  GLN  16          2HE2      GLN  16  -5.064   6.441 -12.805
  119   2HE2  GLN  16          1HE2      GLN  16  -4.443   7.308 -11.440
  120    HA   PRO  17           HA       PRO  17  -3.252   8.831  -5.575
  121   1HB   PRO  17          1HB       PRO  17  -5.709   9.948  -5.148
  122   2HB   PRO  17          2HB       PRO  17  -4.260  10.895  -5.419
  123   1HG   PRO  17          1HG       PRO  17  -6.500  10.362  -7.273
  124   2HG   PRO  17          2HG       PRO  17  -5.280  11.618  -7.358
  125   1HD   PRO  17          1HD       PRO  17  -5.376   9.211  -8.915
  126   2HD   PRO  17          2HD       PRO  17  -4.098  10.410  -8.916
  127    H    VAL  18           H        VAL  18  -4.423   7.910  -3.700
  128    HA   VAL  18           HA       VAL  18  -6.373   5.924  -4.528
  129    HB   VAL  18           HB       VAL  18  -3.738   5.259  -3.202
  130   1HG1  VAL  18          1HG1      VAL  18  -5.639   4.058  -2.152
  131   2HG1  VAL  18          2HG1      VAL  18  -6.090   3.418  -3.750
  132   3HG1  VAL  18          3HG1      VAL  18  -4.530   2.969  -3.020
  133   1HG2  VAL  18          1HG2      VAL  18  -4.890   4.824  -5.932
  134   2HG2  VAL  18          2HG2      VAL  18  -3.225   5.220  -5.441
  135   3HG2  VAL  18          3HG2      VAL  18  -3.842   3.562  -5.240
  136    H    VAL  19           H        VAL  19  -7.613   5.085  -2.698
  137    HA   VAL  19           HA       VAL  19  -7.341   6.821  -0.341
  138    HB   VAL  19           HB       VAL  19  -9.778   5.782  -1.785
  139   1HG1  VAL  19          1HG1      VAL  19  -9.986   5.481   0.698
  140   2HG1  VAL  19          2HG1      VAL  19  -9.761   7.238   0.877
  141   3HG1  VAL  19          3HG1      VAL  19 -11.171   6.606  -0.007
  142   1HG2  VAL  19          2HG2      VAL  19  -8.512   7.977  -2.413
  143   2HG2  VAL  19          3HG2      VAL  19 -10.286   7.999  -2.264
  144   3HG2  VAL  19          1HG2      VAL  19  -9.274   8.628  -0.942
  145    H    PHE  20           H        PHE  20  -6.597   5.701   1.378
  146    HA   PHE  20           HA       PHE  20  -7.106   2.821   1.436
  147   1HB   PHE  20          1HB       PHE  20  -4.777   3.958   1.638
  148   2HB   PHE  20          2HB       PHE  20  -5.333   4.685   3.132
  149    HD1  PHE  20           HD1      PHE  20  -4.936   1.321   1.523
  150    HD2  PHE  20           HD2      PHE  20  -4.935   3.587   5.152
  151    HE1  PHE  20           HE1      PHE  20  -4.173  -0.732   2.814
  152    HE2  PHE  20           HE2      PHE  20  -4.173   1.526   6.431
  153    HZ   PHE  20           HZ       PHE  20  -3.832  -0.529   5.325
  154    H    ASN  21           H        ASN  21  -7.529   1.848   3.650
  155    HA   ASN  21           HA       ASN  21  -8.918   3.684   5.396
  156   1HB   ASN  21          1HB       ASN  21 -10.144   1.172   4.149
  157   2HB   ASN  21          2HB       ASN  21 -10.821   1.945   5.569
  158   1HD2  ASN  21          2HD2      ASN  21 -11.084   3.654   1.818
  159   2HD2  ASN  21          1HD2      ASN  21  -9.971   2.378   2.182
  160    H    HIS  22           H        HIS  22  -8.689   3.031   7.597
  161    HA   HIS  22           HA       HIS  22  -7.004   0.702   7.990
  162   1HB   HIS  22          1HB       HIS  22  -7.658   3.162   9.578
  163   2HB   HIS  22          2HB       HIS  22  -7.074   1.740  10.418
  164    HD1  HIS  22           HD1      HIS  22  -5.989   4.430   8.024
  165    HD2  HIS  22           HD2      HIS  22  -4.360   1.067   9.930
  166    HE1  HIS  22           HE1      HIS  22  -3.462   4.580   7.702
  167    H    SER  23           H        SER  23 -10.320   1.689   8.167
  168    HA   SER  23           HA       SER  23 -11.006  -0.099  10.266
  169   1HB   SER  23          1HB       SER  23 -12.222   2.083   9.512
  170   2HB   SER  23          2HB       SER  23 -12.931   1.101   8.246
  171    HG   SER  23           HG       SER  23 -13.752  -0.343   9.938
  172    H    THR  24           H        THR  24  -9.946  -0.600   7.148
  173    HA   THR  24           HA       THR  24 -11.740  -2.890   6.707
  174    HB   THR  24           HB       THR  24  -9.961  -1.233   4.845
  175    HG1  THR  24           HG1      THR  24 -12.043  -0.330   5.475
  176   1HG2  THR  24          3HG2      THR  24 -10.292  -3.816   4.318
  177   2HG2  THR  24          1HG2      THR  24 -11.970  -3.336   3.969
  178   3HG2  THR  24          2HG2      THR  24 -10.628  -2.622   3.042
  179    H    HIS  25           H        HIS  25  -8.356  -1.853   7.160
  180    HA   HIS  25           HA       HIS  25  -7.552  -4.643   6.919
  181   1HB   HIS  25          1HB       HIS  25  -5.879  -2.124   7.128
  182   2HB   HIS  25          2HB       HIS  25  -5.255  -3.747   6.911
  183    HD1  HIS  25           HD1      HIS  25  -7.394  -1.167   5.084
  184    HD2  HIS  25           HD2      HIS  25  -5.137  -4.612   4.290
  185    HE1  HIS  25           HE1      HIS  25  -7.289  -1.383   2.543
  186    H    LYS  26           H        LYS  26  -9.232  -3.809   9.140
  187    HA   LYS  26           HA       LYS  26  -7.631  -3.289  11.408
  188   1HB   LYS  26          1HB       LYS  26 -10.416  -4.481  11.274
  189   2HB   LYS  26          2HB       LYS  26  -9.666  -3.725  12.665
  190   1HG   LYS  26          1HG       LYS  26  -9.496  -1.570  11.408
  191   2HG   LYS  26          2HG       LYS  26 -10.232  -2.324  10.008
  192   1HD   LYS  26          1HD       LYS  26 -12.230  -1.653  10.864
  193   2HD   LYS  26          2HD       LYS  26 -12.048  -2.948  12.030
  194   1HE   LYS  26          1HE       LYS  26 -10.569  -1.127  13.333
  195   2HE   LYS  26          2HE       LYS  26 -11.501   0.004  12.373
  196   1HZ   LYS  26          1HZ       LYS  26 -13.224  -1.959  13.479
  197   2HZ   LYS  26          2HZ       LYS  26 -12.345  -1.288  14.675
  198    H    SER  27           H        SER  27  -8.738  -6.237   9.715
  199    HA   SER  27           HA       SER  27  -7.917  -7.942  11.811
  200   1HB   SER  27          1HB       SER  27  -8.307  -9.753  10.138
  201   2HB   SER  27          2HB       SER  27  -9.662  -8.648  10.254
  202    HG   SER  27           HG       SER  27  -9.452  -8.454   8.134
  203    H    VAL  28           H        VAL  28  -6.271  -6.110   9.417
  204    HA   VAL  28           HA       VAL  28  -4.088  -7.993   9.131
  205    HB   VAL  28           HB       VAL  28  -4.358  -5.160   8.115
  206   1HG1  VAL  28          1HG1      VAL  28  -2.452  -7.424   7.606
  207   2HG1  VAL  28          2HG1      VAL  28  -2.818  -6.276   6.296
  208   3HG1  VAL  28          3HG1      VAL  28  -2.127  -5.689   7.828
  209   1HG2  VAL  28          1HG2      VAL  28  -6.257  -6.612   7.389
  210   2HG2  VAL  28          2HG2      VAL  28  -5.227  -6.056   6.048
  211   3HG2  VAL  28          3HG2      VAL  28  -5.075  -7.722   6.654
  212    H    LYS  29           H        LYS  29  -2.005  -7.718  10.008
  213    HA   LYS  29           HA       LYS  29  -1.967  -6.321  12.485
  214   1HB   LYS  29          1HB       LYS  29  -0.559  -8.449  11.271
  215   2HB   LYS  29          2HB       LYS  29   0.636  -7.208  11.592
  216   1HG   LYS  29          1HG       LYS  29   0.655  -8.072  13.710
  217   2HG   LYS  29          2HG       LYS  29  -0.798  -7.120  13.938
  218   1HD   LYS  29          1HD       LYS  29  -2.197  -8.963  13.857
  219   2HD   LYS  29          2HD       LYS  29  -1.210  -9.801  12.677
  220   1HE   LYS  29          1HE       LYS  29   0.526  -9.865  14.763
  221   2HE   LYS  29          2HE       LYS  29  -0.967  -9.762  15.675
  222   1HZ   LYS  29          1HZ       LYS  29  -1.234 -11.664  13.582
  223   2HZ   LYS  29          2HZ       LYS  29   0.072 -12.032  14.483
  224    H    CYS  30           H        CYS  30  -0.910  -4.416  13.055
  225    HA   CYS  30           HA       CYS  30  -0.702  -2.490  11.059
  226   1HB   CYS  30          1HB       CYS  30   0.679  -2.273  13.723
  227   2HB   CYS  30          2HB       CYS  30  -0.021  -1.002  12.742
  228    H    GLY  31           H        GLY  31   1.531  -4.891  12.393
  229   1HA   GLY  31          1HA       GLY  31   3.917  -3.611  11.389
  230   2HA   GLY  31          2HA       GLY  31   3.777  -5.187  12.142
  231    H    ASP  32           H        ASP  32   1.322  -5.127   9.872
  232    HA   ASP  32           HA       ASP  32   2.868  -6.764   8.123
  233   1HB   ASP  32          1HB       ASP  32   0.469  -7.234   8.829
  234   2HB   ASP  32          2HB       ASP  32  -0.035  -5.846   7.886
  235    H    CYS  33           H        CYS  33   1.650  -3.459   8.349
  236    HA   CYS  33           HA       CYS  33   2.366  -3.017   5.543
  237   1HB   CYS  33          1HB       CYS  33   0.202  -1.900   7.259
  238   2HB   CYS  33          2HB       CYS  33   0.982  -0.781   6.159
  239    H    HIS  34           H        HIS  34   2.299  -1.480   8.845
  240    HA   HIS  34           HA       HIS  34   4.351   0.356   8.109
  241   1HB   HIS  34          1HB       HIS  34   3.114  -0.296  10.798
  242   2HB   HIS  34          2HB       HIS  34   4.215   1.032  10.494
  243    HD1  HIS  34           HD1      HIS  34   3.314   2.997   8.908
  244    HD2  HIS  34           HD2      HIS  34   0.456   0.173  10.115
  245    HE1  HIS  34           HE1      HIS  34   1.034   4.040   8.434
  246    H    HIS  35           H        HIS  35   5.512  -1.893   7.366
  247    HA   HIS  35           HA       HIS  35   6.669  -3.607   9.049
  248   1HB   HIS  35          1HB       HIS  35   8.481  -3.822   7.451
  249   2HB   HIS  35          2HB       HIS  35   6.948  -3.636   6.623
  250    HD1  HIS  35           HD1      HIS  35   9.952  -1.482   7.631
  251    HD2  HIS  35           HD2      HIS  35   6.930  -1.655   4.727
  252    HE1  HIS  35           HE1      HIS  35  10.465   0.371   5.954
  253    HA   PRO  36           HA       PRO  36   9.272  -1.386  11.696
  254   1HB   PRO  36          1HB       PRO  36  10.994  -3.345  12.511
  255   2HB   PRO  36          2HB       PRO  36   9.386  -3.145  13.177
  256   1HG   PRO  36          1HG       PRO  36  10.363  -5.182  11.270
  257   2HG   PRO  36          2HG       PRO  36   8.917  -5.209  12.260
  258   1HD   PRO  36          1HD       PRO  36   9.061  -4.660   9.448
  259   2HD   PRO  36          2HD       PRO  36   7.634  -4.574  10.461
  260    H    VAL  37           H        VAL  37  10.686   0.186  11.304
  261    HA   VAL  37           HA       VAL  37  12.810  -0.569   9.421
  262    HB   VAL  37           HB       VAL  37  11.530   2.111   9.997
  263   1HG1  VAL  37          3HG1      VAL  37  14.087   1.439   8.823
  264   2HG1  VAL  37          1HG1      VAL  37  13.038   2.223   7.618
  265   3HG1  VAL  37          2HG1      VAL  37  13.381   3.037   9.163
  266   1HG2  VAL  37          1HG2      VAL  37  11.144   0.036   7.872
  267   2HG2  VAL  37          2HG2      VAL  37   9.954   1.086   8.676
  268   3HG2  VAL  37          3HG2      VAL  37  11.021   1.752   7.417
  269    H    ASN  38           H        ASN  38  14.743  -0.902  10.379
  270    HA   ASN  38           HA       ASN  38  16.550  -0.316  11.514
  271   1HB   ASN  38          1HB       ASN  38  15.292   2.069  11.763
  272   2HB   ASN  38          2HB       ASN  38  15.108   1.535  13.422
  273   1HD2  ASN  38          1HD2      ASN  38  16.615   3.754  12.540
  274   2HD2  ASN  38          2HD2      ASN  38  18.283   3.502  12.935
  275    H    GLY  39           H        GLY  39  13.512  -1.415  12.590
  276   1HA   GLY  39          1HA       GLY  39  13.447  -3.331  14.012
  277   2HA   GLY  39          2HA       GLY  39  14.715  -2.629  14.997
  278    H    LYS  40           H        LYS  40  12.751  -0.056  14.088
  279    HA   LYS  40           HA       LYS  40  11.205  -0.318  16.569
  280   1HB   LYS  40          1HB       LYS  40  11.298   2.050  16.794
  281   2HB   LYS  40          2HB       LYS  40  12.929   1.494  16.480
  282   1HG   LYS  40          1HG       LYS  40  12.173   1.932  13.916
  283   2HG   LYS  40          2HG       LYS  40  11.077   3.056  14.696
  284   1HD   LYS  40          1HD       LYS  40  13.389   3.676  16.026
  285   2HD   LYS  40          2HD       LYS  40  14.064   3.141  14.500
  286   1HE   LYS  40          1HE       LYS  40  13.644   5.265  13.773
  287   2HE   LYS  40          2HE       LYS  40  11.978   4.740  13.627
  288   1HZ   LYS  40          1HZ       LYS  40  11.599   5.528  15.913
  289   2HZ   LYS  40          2HZ       LYS  40  13.145   6.023  16.041
  290    H    GLU  41           H        GLU  41   8.972   0.089  16.550
  291    HA   GLU  41           HA       GLU  41   7.875   0.125  13.853
  292   1HB   GLU  41          1HB       GLU  41   7.215  -1.351  16.312
  293   2HB   GLU  41          2HB       GLU  41   5.806  -0.573  15.620
  294   1HG   GLU  41          1HG       GLU  41   6.013  -1.738  13.553
  295   2HG   GLU  41          2HG       GLU  41   7.698  -2.130  13.831
  296    H    ASP  42           H        ASP  42   6.478   1.764  13.213
  297    HA   ASP  42           HA       ASP  42   5.377   3.455  15.260
  298   1HB   ASP  42          1HB       ASP  42   7.764   4.204  14.027
  299   2HB   ASP  42          2HB       ASP  42   6.570   5.004  13.024
  300    H    TYR  43           H        TYR  43   3.934   5.240  14.023
  301    HA   TYR  43           HA       TYR  43   2.755   3.908  11.677
  302   1HB   TYR  43          1HB       TYR  43   1.597   5.779  13.839
  303   2HB   TYR  43          2HB       TYR  43   0.656   5.061  12.546
  304    HD1  TYR  43           HD1      TYR  43   2.366   2.338  12.883
  305    HD2  TYR  43           HD2      TYR  43   0.007   4.795  15.471
  306    HE1  TYR  43           HE1      TYR  43   1.877   0.326  14.359
  307    HE2  TYR  43           HE2      TYR  43  -0.475   2.775  16.938
  308    HH   TYR  43           HH       TYR  43   0.834   0.529  17.392
  309    H    ARG  44           H        ARG  44   4.085   5.036  10.144
  310    HA   ARG  44           HA       ARG  44   3.442   7.875  10.054
  311   1HB   ARG  44          1HB       ARG  44   6.017   6.581  10.098
  312   2HB   ARG  44          2HB       ARG  44   5.816   7.268   8.498
  313   1HG   ARG  44          1HG       ARG  44   5.499   9.485   9.359
  314   2HG   ARG  44          2HG       ARG  44   5.185   8.904  10.983
  315   1HD   ARG  44          1HD       ARG  44   7.391   9.071  11.487
  316   2HD   ARG  44          2HD       ARG  44   7.783   7.922  10.223
  317    HE   ARG  44           HE       ARG  44   8.287   9.710   8.745
  318   1HH1  ARG  44          2HH2      ARG  44   6.920  10.947  11.771
  319   2HH1  ARG  44          1HH2      ARG  44   7.367  12.588  11.446
  320    HH2  ARG  44           HH1      ARG  44   8.517  13.111   9.410
  321    H    LYS  45           H        LYS  45   3.932   8.689   7.592
  322    HA   LYS  45           HA       LYS  45   2.219   7.041   5.964
  323   1HB   LYS  45          1HB       LYS  45   3.458   9.777   5.566
  324   2HB   LYS  45          2HB       LYS  45   2.452   8.987   4.369
  325   1HG   LYS  45          1HG       LYS  45   0.842  10.224   5.524
  326   2HG   LYS  45          2HG       LYS  45   0.746   8.699   6.381
  327   1HD   LYS  45          1HD       LYS  45   2.151   9.529   8.190
  328   2HD   LYS  45          2HD       LYS  45   2.565  10.973   7.287
  329   1HE   LYS  45          1HE       LYS  45  -0.205  11.113   7.296
  330   2HE   LYS  45          2HE       LYS  45   0.106  10.359   8.847
  331   1HZ   LYS  45          1HZ       LYS  45   1.729  12.203   9.269
  332   2HZ   LYS  45          2HZ       LYS  45   1.235  12.935   7.900
  333    H    CYS  46           H        CYS  46   2.809   5.805   4.210
  334    HA   CYS  46           HA       CYS  46   5.403   4.866   4.091
  335   1HB   CYS  46          1HB       CYS  46   3.569   4.758   1.717
  336   2HB   CYS  46          2HB       CYS  46   4.728   3.569   2.276
  337    H    GLY  47           H        GLY  47   3.614   7.251   2.016
  338   1HA   GLY  47          1HA       GLY  47   5.925   7.847   0.418
  339   2HA   GLY  47          2HA       GLY  47   4.366   8.647   0.394
  340    H    THR  48           H        THR  48   6.865   8.139   2.992
  341    HA   THR  48           HA       THR  48   6.618  10.983   3.636
  342    HB   THR  48           HB       THR  48   7.402   8.442   5.066
  343    HG1  THR  48           HG1      THR  48   6.080   9.786   6.652
  344   1HG2  THR  48          3HG2      THR  48   8.713  11.100   5.429
  345   2HG2  THR  48          1HG2      THR  48   7.979  10.428   6.905
  346   3HG2  THR  48          2HG2      THR  48   9.218   9.500   6.026
  347    H    ALA  49           H        ALA  49   8.177  12.466   3.286
  348    HA   ALA  49           HA       ALA  49  10.181  11.956   1.458
  349   1HB   ALA  49          1HB       ALA  49   9.632  14.127   3.487
  350   2HB   ALA  49          2HB       ALA  49  11.119  14.164   2.508
  351   3HB   ALA  49          3HB       ALA  49   9.528  14.192   1.711
  352    H    GLY  50           H        GLY  50  11.784  10.470   1.705
  353   1HA   GLY  50          1HA       GLY  50  14.000  10.298   2.729
  354   2HA   GLY  50          2HA       GLY  50  13.227  10.484   4.291
  355    H    CYS  51           H        CYS  51  10.869   8.804   2.899
  356    HA   CYS  51           HA       CYS  51  12.096   6.249   3.614
  357   1HB   CYS  51          1HB       CYS  51   9.204   7.161   3.675
  358   2HB   CYS  51          2HB       CYS  51   9.693   5.493   3.895
  359    H    HIS  52           H        HIS  52   9.043   6.692   1.810
  360    HA   HIS  52           HA       HIS  52  10.344   5.413  -0.475
  361   1HB   HIS  52          1HB       HIS  52   7.468   5.410   0.468
  362   2HB   HIS  52          2HB       HIS  52   7.969   4.786  -1.091
  363    HD1  HIS  52           HD1      HIS  52   9.945   2.811  -0.891
  364    HD2  HIS  52           HD2      HIS  52   7.529   3.539   2.460
  365    HE1  HIS  52           HE1      HIS  52  10.144   0.747   0.596
  366    H    ASP  53           H        ASP  53  11.189   7.709  -0.886
  367    HA   ASP  53           HA       ASP  53   9.148   9.092  -2.437
  368   1HB   ASP  53          1HB       ASP  53  10.064  10.165  -0.165
  369   2HB   ASP  53          2HB       ASP  53  11.446  10.586  -1.156
  370    H    SER  54           H        SER  54  10.156   7.694  -4.199
  371    HA   SER  54           HA       SER  54  12.796   8.684  -4.938
  372   1HB   SER  54          1HB       SER  54  12.540   6.198  -4.525
  373   2HB   SER  54          2HB       SER  54  11.413   6.128  -5.865
  374    HG   SER  54           HG       SER  54  13.290   7.205  -7.116
  375    H    MET  55           H        MET  55   9.395   8.455  -5.782
  376    HA   MET  55           HA       MET  55   8.217   9.077  -7.508
  377   1HB   MET  55          1HB       MET  55  10.354  11.116  -7.140
  378   2HB   MET  55          2HB       MET  55   9.652  11.159  -8.745
  379   1HG   MET  55          1HG       MET  55   8.196  12.586  -7.586
  380   2HG   MET  55          2HG       MET  55   7.336  11.064  -7.458
  381   1HE   MET  55          1HE       MET  55   7.696   9.388  -5.495
  382   2HE   MET  55          2HE       MET  55   7.440  10.074  -3.873
  383   3HE   MET  55          3HE       MET  55   6.308  10.460  -5.191
  384    H    ASP  56           H        ASP  56  10.020   6.882  -8.056
  385    HA   ASP  56           HA       ASP  56  10.350   7.346 -10.908
  386   1HB   ASP  56          1HB       ASP  56  12.443   6.892  -9.037
  387   2HB   ASP  56          2HB       ASP  56  12.227   5.358  -9.857
  388    H    LYS  57           H        LYS  57   8.475   6.119 -11.470
  389    HA   LYS  57           HA       LYS  57   7.713   3.773 -10.146
  390   1HB   LYS  57          1HB       LYS  57   6.049   4.966 -11.314
  391   2HB   LYS  57          2HB       LYS  57   6.992   5.034 -12.790
  392   1HG   LYS  57          1HG       LYS  57   6.539   2.260 -11.893
  393   2HG   LYS  57          2HG       LYS  57   5.035   3.119 -12.157
  394   1HD   LYS  57          1HD       LYS  57   5.281   2.922 -14.400
  395   2HD   LYS  57          2HD       LYS  57   6.803   3.788 -14.332
  396   1HE   LYS  57          1HE       LYS  57   8.035   1.874 -14.540
  397   2HE   LYS  57          2HE       LYS  57   7.069   1.016 -13.357
  398   1HZ   LYS  57          1HZ       LYS  57   5.811   0.109 -14.988
  399   2HZ   LYS  57          2HZ       LYS  57   5.669   1.493 -15.834
  400    H    LYS  58           H        LYS  58   9.675   4.390 -13.111
  401    HA   LYS  58           HA       LYS  58  10.058   1.568 -13.510
  402   1HB   LYS  58          1HB       LYS  58  10.071   3.778 -15.156
  403   2HB   LYS  58          2HB       LYS  58  11.782   3.443 -14.986
  404   1HG   LYS  58          1HG       LYS  58  11.523   1.810 -16.542
  405   2HG   LYS  58          2HG       LYS  58  10.653   0.891 -15.331
  406   1HD   LYS  58          1HD       LYS  58   8.845   1.003 -16.701
  407   2HD   LYS  58          2HD       LYS  58   8.716   2.693 -16.255
  408   1HE   LYS  58          1HE       LYS  58   8.959   3.085 -18.498
  409   2HE   LYS  58          2HE       LYS  58  10.668   2.844 -18.192
  410   1HZ   LYS  58          1HZ       LYS  58   9.948   0.327 -18.539
  411   2HZ   LYS  58          2HZ       LYS  58   8.767   1.003 -19.434
  412    H    ASP  59           H        ASP  59  10.777   1.856 -10.969
  413    HA   ASP  59           HA       ASP  59  13.578   1.366 -11.114
  414   1HB   ASP  59          1HB       ASP  59  13.306   3.898 -10.740
  415   2HB   ASP  59          2HB       ASP  59  12.570   3.514  -9.196
  416    H    LYS  60           H        LYS  60  13.036  -0.746 -10.305
  417    HA   LYS  60           HA       LYS  60  11.472  -0.872  -7.855
  418   1HB   LYS  60          1HB       LYS  60  12.447  -3.007  -9.774
  419   2HB   LYS  60          2HB       LYS  60  11.566  -3.343  -8.297
  420   1HG   LYS  60          1HG       LYS  60   9.751  -3.199  -9.717
  421   2HG   LYS  60          2HG       LYS  60   9.880  -1.496  -9.325
  422   1HD   LYS  60          1HD       LYS  60   9.800  -1.440 -11.673
  423   2HD   LYS  60          2HD       LYS  60  11.525  -1.375 -11.376
  424   1HE   LYS  60          1HE       LYS  60  11.272  -4.062 -11.467
  425   2HE   LYS  60          2HE       LYS  60   9.863  -3.658 -12.427
  426   1HZ   LYS  60          1HZ       LYS  60  12.393  -2.315 -13.073
  427   2HZ   LYS  60          2HZ       LYS  60  12.211  -3.862 -13.545
  428    H    SER  61           H        SER  61  12.304  -1.428  -5.863
  429    HA   SER  61           HA       SER  61  14.665  -2.756  -5.475
  430   1HB   SER  61          1HB       SER  61  16.136  -0.870  -4.658
  431   2HB   SER  61          2HB       SER  61  15.894  -0.893  -6.393
  432    HG   SER  61           HG       SER  61  15.369   1.119  -4.671
  433    H    ALA  62           H        ALA  62  13.293   0.318  -4.071
  434    HA   ALA  62           HA       ALA  62  11.829  -0.943  -2.069
  435   1HB   ALA  62          1HB       ALA  62  14.326  -1.476  -1.447
  436   2HB   ALA  62          2HB       ALA  62  14.360   0.220  -0.908
  437   3HB   ALA  62          3HB       ALA  62  13.205  -0.922  -0.180
  438    H    LYS  63           H        LYS  63  13.933   1.854  -2.954
  439    HA   LYS  63           HA       LYS  63  12.371   3.716  -1.493
  440   1HB   LYS  63          1HB       LYS  63  13.745   5.391  -2.622
  441   2HB   LYS  63          2HB       LYS  63  14.730   4.098  -1.967
  442   1HG   LYS  63          1HG       LYS  63  14.245   3.099  -4.478
  443   2HG   LYS  63          2HG       LYS  63  14.193   4.817  -4.820
  444   1HD   LYS  63          1HD       LYS  63  16.464   3.704  -3.150
  445   2HD   LYS  63          2HD       LYS  63  16.505   3.513  -4.892
  446   1HE   LYS  63          1HE       LYS  63  15.939   6.123  -4.893
  447   2HE   LYS  63          2HE       LYS  63  16.584   6.063  -3.265
  448   1HZ   LYS  63          1HZ       LYS  63  18.306   6.522  -4.961
  449   2HZ   LYS  63          2HZ       LYS  63  18.645   5.156  -4.141
  450    H    GLY  64           H        GLY  64  11.699   1.868  -4.235
  451   1HA   GLY  64          1HA       GLY  64  10.321   3.852  -5.787
  452   2HA   GLY  64          2HA       GLY  64  10.306   2.114  -6.008
  453    H    TYR  65           H        TYR  65   8.778   4.879  -4.391
  454    HA   TYR  65           HA       TYR  65   7.097   3.657  -2.620
  455   1HB   TYR  65          1HB       TYR  65   7.310   6.107  -2.957
  456   2HB   TYR  65          2HB       TYR  65   6.794   5.969  -4.626
  457    HD1  TYR  65           HD1      TYR  65   5.499   5.163  -1.191
  458    HD2  TYR  65           HD2      TYR  65   4.614   6.579  -5.130
  459    HE1  TYR  65           HE1      TYR  65   3.098   5.625  -0.493
  460    HE2  TYR  65           HE2      TYR  65   2.216   7.037  -4.419
  461    HH   TYR  65           HH       TYR  65   1.080   7.566  -2.159
  462    H    TYR  66           H        TYR  66   6.741   3.986  -6.194
  463    HA   TYR  66           HA       TYR  66   4.132   2.795  -6.160
  464   1HB   TYR  66          1HB       TYR  66   4.670   4.381  -7.918
  465   2HB   TYR  66          2HB       TYR  66   6.269   3.702  -8.150
  466    HD1  TYR  66           HD1      TYR  66   6.491   1.441  -9.292
  467    HD2  TYR  66           HD2      TYR  66   2.817   3.631  -9.205
  468    HE1  TYR  66           HE1      TYR  66   5.615   0.065 -11.243
  469    HE2  TYR  66           HE2      TYR  66   1.954   2.248 -11.156
  470    HH   TYR  66           HH       TYR  66   2.842   0.964 -12.981
  471    H    HIS  67           H        HIS  67   7.137   1.512  -5.536
  472    HA   HIS  67           HA       HIS  67   6.609  -0.927  -7.050
  473   1HB   HIS  67          1HB       HIS  67   8.789  -0.557  -7.491
  474   2HB   HIS  67          2HB       HIS  67   9.025   0.451  -6.078
  475    HD1  HIS  67           HD1      HIS  67   9.533  -2.990  -7.351
  476    HD2  HIS  67           HD2      HIS  67   9.570  -1.041  -3.636
  477    HE1  HIS  67           HE1      HIS  67  10.693  -4.576  -5.723
  478    H    VAL  68           H        VAL  68   6.209   0.534  -3.962
  479    HA   VAL  68           HA       VAL  68   6.169  -2.086  -2.650
  480    HB   VAL  68           HB       VAL  68   5.910  -0.517  -0.598
  481   1HG1  VAL  68          3HG1      VAL  68   7.910  -1.937  -1.319
  482   2HG1  VAL  68          1HG1      VAL  68   8.586  -0.442  -2.009
  483   3HG1  VAL  68          2HG1      VAL  68   8.251  -0.545  -0.264
  484   1HG2  VAL  68          1HG2      VAL  68   5.503   1.529  -1.977
  485   2HG2  VAL  68          2HG2      VAL  68   6.846   1.696  -0.822
  486   3HG2  VAL  68          3HG2      VAL  68   7.185   1.428  -2.548
  487    H    MET  69           H        MET  69   4.168  -0.404  -4.543
  488    HA   MET  69           HA       MET  69   1.887  -0.837  -2.773
  489   1HB   MET  69          1HB       MET  69   2.164   1.028  -5.197
  490   2HB   MET  69          2HB       MET  69   0.726   0.882  -4.205
  491   1HG   MET  69          1HG       MET  69   3.399   1.610  -2.948
  492   2HG   MET  69          2HG       MET  69   2.408   2.841  -3.707
  493   1HE   MET  69          3HE       MET  69   3.388   1.324  -0.678
  494   2HE   MET  69          1HE       MET  69   3.082   3.074  -0.555
  495   3HE   MET  69          2HE       MET  69   2.183   1.938   0.479
  496    H    HIS  70           H        HIS  70   3.559  -1.832  -5.629
  497    HA   HIS  70           HA       HIS  70   1.234  -3.443  -6.359
  498   1HB   HIS  70          1HB       HIS  70   3.076  -2.286  -8.448
  499   2HB   HIS  70          2HB       HIS  70   1.515  -3.051  -8.670
  500    HD1  HIS  70           HD1      HIS  70   3.006   0.153  -7.214
  501    HD2  HIS  70           HD2      HIS  70  -0.628  -1.318  -8.707
  502    HE1  HIS  70           HE1      HIS  70   1.428   2.153  -7.353
  503    H    ASP  71           H        ASP  71   4.751  -2.951  -7.165
  504    HA   ASP  71           HA       ASP  71   5.431  -5.353  -7.962
  505   1HB   ASP  71          1HB       ASP  71   6.791  -3.155  -6.960
  506   2HB   ASP  71          2HB       ASP  71   7.230  -4.385  -5.792
  507    H    LYS  72           H        LYS  72   5.144  -7.438  -7.156
  508    HA   LYS  72           HA       LYS  72   4.422  -7.738  -4.374
  509   1HB   LYS  72          1HB       LYS  72   4.619  -9.893  -6.489
  510   2HB   LYS  72          2HB       LYS  72   3.730  -9.943  -4.981
  511   1HG   LYS  72          1HG       LYS  72   2.213  -8.156  -5.764
  512   2HG   LYS  72          2HG       LYS  72   3.151  -7.959  -7.231
  513   1HD   LYS  72          1HD       LYS  72   2.599 -10.689  -7.264
  514   2HD   LYS  72          2HD       LYS  72   1.144 -10.034  -6.539
  515   1HE   LYS  72          1HE       LYS  72   0.447  -9.516  -8.639
  516   2HE   LYS  72          2HE       LYS  72   1.665  -8.257  -8.653
  517   1HZ   LYS  72          1HZ       LYS  72   1.635 -10.333 -10.367
  518   2HZ   LYS  72          2HZ       LYS  72   2.978  -9.479 -10.022
  519    H    ASN  73           H        ASN  73   7.091  -8.542  -6.633
  520    HA   ASN  73           HA       ASN  73   8.442 -10.215  -4.887
  521   1HB   ASN  73          1HB       ASN  73   8.970  -8.803  -7.430
  522   2HB   ASN  73          2HB       ASN  73  10.413  -8.912  -6.442
  523   1HD2  ASN  73          2HD2      ASN  73   9.473 -11.981  -8.682
  524   2HD2  ASN  73          1HD2      ASN  73   9.136 -10.300  -8.924
  525    H    THR  74           H        THR  74   8.253  -9.001  -2.794
  526    HA   THR  74           HA       THR  74  10.446  -7.105  -2.493
  527    HB   THR  74           HB       THR  74   8.884  -5.556  -1.230
  528    HG1  THR  74           HG1      THR  74   7.029  -7.470  -2.464
  529   1HG2  THR  74          1HG2      THR  74   9.316  -5.171  -3.715
  530   2HG2  THR  74          2HG2      THR  74   7.869  -6.149  -4.058
  531   3HG2  THR  74          3HG2      THR  74   7.716  -4.613  -3.172
  532    H    LYS  75           H        LYS  75  11.150  -6.849  -0.265
  533    HA   LYS  75           HA       LYS  75  11.146  -9.326   1.062
  534   1HB   LYS  75          1HB       LYS  75  13.039  -7.797   1.140
  535   2HB   LYS  75          2HB       LYS  75  12.071  -6.575   1.939
  536   1HG   LYS  75          1HG       LYS  75  11.745  -8.948   3.488
  537   2HG   LYS  75          2HG       LYS  75  13.452  -8.867   3.101
  538   1HD   LYS  75          1HD       LYS  75  12.292  -6.253   3.907
  539   2HD   LYS  75          2HD       LYS  75  12.207  -7.474   5.161
  540   1HE   LYS  75          1HE       LYS  75  14.365  -6.901   5.634
  541   2HE   LYS  75          2HE       LYS  75  14.792  -7.838   4.216
  542   1HZ   LYS  75          1HZ       LYS  75  14.260  -4.915   4.253
  543   2HZ   LYS  75          2HZ       LYS  75  15.710  -5.622   4.028
  544    H    PHE  76           H        PHE  76   9.003  -6.550   1.114
  545    HA   PHE  76           HA       PHE  76   7.662  -7.717   3.461
  546   1HB   PHE  76          1HB       PHE  76   7.894  -4.865   2.318
  547   2HB   PHE  76          2HB       PHE  76   6.812  -5.266   3.637
  548    HD1  PHE  76           HD2      PHE  76   8.035  -6.557   5.671
  549    HD2  PHE  76           HD1      PHE  76   9.962  -3.969   2.862
  550    HE1  PHE  76           HE2      PHE  76   9.917  -6.146   7.330
  551    HE2  PHE  76           HE1      PHE  76  11.838  -3.567   4.530
  552    HZ   PHE  76           HZ       PHE  76  11.733  -4.744   6.780
  553    H    LYS  77           H        LYS  77   5.272  -7.484   3.480
  554    HA   LYS  77           HA       LYS  77   4.195  -8.296   1.007
  555   1HB   LYS  77          1HB       LYS  77   3.073  -7.661   3.727
  556   2HB   LYS  77          2HB       LYS  77   1.995  -7.939   2.374
  557   1HG   LYS  77          1HG       LYS  77   3.243 -10.127   1.934
  558   2HG   LYS  77          2HG       LYS  77   4.122  -9.859   3.427
  559   1HD   LYS  77          1HD       LYS  77   1.602  -9.523   4.380
  560   2HD   LYS  77          2HD       LYS  77   1.228 -10.568   3.024
  561   1HE   LYS  77          1HE       LYS  77   3.354 -11.212   5.123
  562   2HE   LYS  77          2HE       LYS  77   1.704 -11.800   5.197
  563   1HZ   LYS  77          1HZ       LYS  77   3.734 -12.440   3.139
  564   2HZ   LYS  77          2HZ       LYS  77   2.936 -13.479   4.106
  565    H    SER  78           H        SER  78   3.341  -7.149  -0.659
  566    HA   SER  78           HA       SER  78   3.289  -4.279  -0.286
  567   1HB   SER  78          1HB       SER  78   3.611  -4.079  -2.598
  568   2HB   SER  78          2HB       SER  78   4.495  -5.548  -2.236
  569    HG   SER  78           HG       SER  78   3.254  -6.167  -3.944
  570    H    CYS  79           H        CYS  79   1.430  -3.053  -1.378
  571    HA   CYS  79           HA       CYS  79  -0.961  -3.733  -0.305
  572   1HB   CYS  79          1HB       CYS  79  -0.561  -2.184  -2.872
  573   2HB   CYS  79          2HB       CYS  79  -1.979  -2.139  -1.844
  574    H    VAL  80           H        VAL  80  -0.149  -4.008  -3.851
  575    HA   VAL  80           HA       VAL  80  -2.331  -5.683  -4.399
  576    HB   VAL  80           HB       VAL  80   0.256  -5.146  -5.868
  577   1HG1  VAL  80          2HG1      VAL  80  -2.108  -6.848  -6.562
  578   2HG1  VAL  80          3HG1      VAL  80  -1.343  -5.892  -7.853
  579   3HG1  VAL  80          1HG1      VAL  80  -0.382  -7.076  -6.935
  580   1HG2  VAL  80          2HG2      VAL  80  -2.296  -3.713  -5.583
  581   2HG2  VAL  80          3HG2      VAL  80  -0.707  -3.132  -6.136
  582   3HG2  VAL  80          1HG2      VAL  80  -1.796  -3.962  -7.273
  583    H    GLY  81           H        GLY  81   1.063  -6.274  -3.419
  584   1HA   GLY  81          1HA       GLY  81   1.345  -8.941  -4.009
  585   2HA   GLY  81          2HA       GLY  81   2.056  -8.131  -2.627
  586    H    CYS  82           H        CYS  82   0.143  -7.557  -0.859
  587    HA   CYS  82           HA       CYS  82  -0.566 -10.047   0.172
  588   1HB   CYS  82          1HB       CYS  82  -0.165  -8.045   1.560
  589   2HB   CYS  82          2HB       CYS  82  -1.617  -7.299   0.923
  590    H    HIS  83           H        HIS  83  -2.389  -7.460  -1.585
  591    HA   HIS  83           HA       HIS  83  -4.907  -8.512  -1.373
  592   1HB   HIS  83          1HB       HIS  83  -3.526  -6.827  -3.446
  593   2HB   HIS  83          2HB       HIS  83  -5.173  -7.363  -3.712
  594    HD1  HIS  83           HD1      HIS  83  -5.999  -4.873  -3.558
  595    HD2  HIS  83           HD2      HIS  83  -4.240  -6.357  -0.051
  596    HE1  HIS  83           HE1      HIS  83  -6.589  -3.218  -1.707
  597    H    VAL  84           H        VAL  84  -2.279  -9.294  -3.719
  598    HA   VAL  84           HA       VAL  84  -3.744 -10.955  -5.373
  599    HB   VAL  84           HB       VAL  84  -0.837 -11.036  -4.546
  600   1HG1  VAL  84          2HG1      VAL  84  -2.384 -12.811  -6.266
  601   2HG1  VAL  84          3HG1      VAL  84  -1.053 -12.024  -7.147
  602   3HG1  VAL  84          1HG1      VAL  84  -0.712 -12.964  -5.675
  603   1HG2  VAL  84          1HG2      VAL  84  -2.310  -9.136  -6.041
  604   2HG2  VAL  84          2HG2      VAL  84  -0.544  -9.243  -5.839
  605   3HG2  VAL  84          3HG2      VAL  84  -1.334 -10.057  -7.211
  606    H    GLU  85           H        GLU  85  -2.223 -11.539  -2.179
  607    HA   GLU  85           HA       GLU  85  -2.674 -14.326  -2.308
  608   1HB   GLU  85          1HB       GLU  85  -1.548 -12.373  -0.389
  609   2HB   GLU  85          2HB       GLU  85  -2.373 -13.710   0.388
  610   1HG   GLU  85          1HG       GLU  85  -0.774 -14.746  -1.803
  611   2HG   GLU  85          2HG       GLU  85   0.232 -13.708  -0.812
  612    H    VAL  86           H        VAL  86  -4.456 -11.468  -1.130
  613    HA   VAL  86           HA       VAL  86  -6.364 -12.976   0.347
  614    HB   VAL  86           HB       VAL  86  -6.393 -10.145  -0.717
  615   1HG1  VAL  86          2HG1      VAL  86  -8.645 -11.210  -0.120
  616   2HG1  VAL  86          3HG1      VAL  86  -8.062 -11.227   1.561
  617   3HG1  VAL  86          1HG1      VAL  86  -8.229  -9.683   0.693
  618   1HG2  VAL  86          2HG2      VAL  86  -5.260 -11.425   1.739
  619   2HG2  VAL  86          3HG2      VAL  86  -4.639 -10.075   0.759
  620   3HG2  VAL  86          1HG2      VAL  86  -5.987  -9.807   1.890
  621    H    ALA  87           H        ALA  87  -6.396 -11.266  -2.858
  622    HA   ALA  87           HA       ALA  87  -8.971 -12.167  -3.534
  623   1HB   ALA  87          1HB       ALA  87  -6.742 -10.677  -4.740
  624   2HB   ALA  87          2HB       ALA  87  -7.632 -11.670  -5.919
  625   3HB   ALA  87          3HB       ALA  87  -8.498 -10.463  -4.939
  626    H    GLY  88           H        GLY  88  -5.688 -13.533  -3.859
  627   1HA   GLY  88          1HA       GLY  88  -4.959 -15.535  -4.572
  628   2HA   GLY  88          2HA       GLY  88  -6.511 -16.162  -4.053
  629    H    ALA  89           H        ALA  89  -8.144 -16.631  -5.572
  630    HA   ALA  89           HA       ALA  89  -7.659 -15.847  -8.332
  631   1HB   ALA  89          3HB       ALA  89  -6.543 -18.116  -7.759
  632   2HB   ALA  89          1HB       ALA  89  -8.204 -18.746  -7.646
  633   3HB   ALA  89          2HB       ALA  89  -7.617 -18.052  -9.177
  634    H    ASP  90           H        ASP  90  -9.510 -14.540  -7.018
  635    HA   ASP  90           HA       ASP  90 -11.965 -16.070  -7.243
  636   1HB   ASP  90          1HB       ASP  90 -11.677 -14.926  -5.109
  637   2HB   ASP  90          2HB       ASP  90 -11.273 -13.419  -5.907
  638    H    ALA  91           H        ALA  91  -9.981 -13.607  -8.727
  639    HA   ALA  91           HA       ALA  91 -10.216 -12.557 -10.681
  640   1HB   ALA  91          2HB       ALA  91 -12.233 -14.510 -10.835
  641   2HB   ALA  91          3HB       ALA  91 -13.047 -12.980 -11.241
  642   3HB   ALA  91          1HB       ALA  91 -11.619 -13.500 -12.167
  643    H    ALA  92           H        ALA  92 -13.609 -12.289  -9.430
  644    HA   ALA  92           HA       ALA  92 -13.993  -9.670  -9.835
  645   1HB   ALA  92          2HB       ALA  92 -15.257 -11.724  -8.452
  646   2HB   ALA  92          3HB       ALA  92 -14.965 -10.504  -7.190
  647   3HB   ALA  92          1HB       ALA  92 -15.877 -10.068  -8.655
  648    H    LYS  93           H        LYS  93 -12.623 -11.055  -6.760
  649    HA   LYS  93           HA       LYS  93 -11.981  -8.524  -5.716
  650   1HB   LYS  93          1HB       LYS  93 -11.073 -11.330  -5.033
  651   2HB   LYS  93          2HB       LYS  93 -10.568  -9.917  -4.129
  652   1HG   LYS  93          1HG       LYS  93 -13.000  -9.339  -3.746
  653   2HG   LYS  93          2HG       LYS  93 -13.455 -10.816  -4.572
  654   1HD   LYS  93          1HD       LYS  93 -11.541 -11.646  -2.661
  655   2HD   LYS  93          2HD       LYS  93 -12.501 -10.447  -1.819
  656   1HE   LYS  93          1HE       LYS  93 -14.060 -12.067  -1.489
  657   2HE   LYS  93          2HE       LYS  93 -14.428 -11.958  -3.199
  658   1HZ   LYS  93          1HZ       LYS  93 -12.313 -13.553  -3.305
  659   2HZ   LYS  93          2HZ       LYS  93 -12.822 -13.960  -1.812
  660    H    LYS  94           H        LYS  94 -10.232 -10.900  -7.751
  661    HA   LYS  94           HA       LYS  94  -7.718  -9.672  -7.524
  662   1HB   LYS  94          1HB       LYS  94  -8.305 -12.024  -8.342
  663   2HB   LYS  94          2HB       LYS  94  -8.714 -11.289  -9.879
  664   1HG   LYS  94          1HG       LYS  94  -6.336 -10.153  -9.698
  665   2HG   LYS  94          2HG       LYS  94  -6.012 -11.390  -8.499
  666   1HD   LYS  94          1HD       LYS  94  -6.818 -13.111 -10.257
  667   2HD   LYS  94          2HD       LYS  94  -6.768 -11.804 -11.423
  668   1HE   LYS  94          1HE       LYS  94  -4.303 -12.019  -9.778
  669   2HE   LYS  94          2HE       LYS  94  -4.618 -13.439 -10.754
  670   1HZ   LYS  94          1HZ       LYS  94  -3.819 -10.825 -11.619
  671   2HZ   LYS  94          2HZ       LYS  94  -3.728 -12.237 -12.425
  672    H    LYS  95           H        LYS  95 -10.634  -8.542  -8.856
  673    HA   LYS  95           HA       LYS  95  -9.141  -6.737 -10.631
  674   1HB   LYS  95          1HB       LYS  95 -11.145  -8.478 -11.357
  675   2HB   LYS  95          2HB       LYS  95 -12.041  -6.997 -11.084
  676   1HG   LYS  95          1HG       LYS  95 -10.816  -5.793 -12.727
  677   2HG   LYS  95          2HG       LYS  95  -9.468  -6.913 -12.687
  678   1HD   LYS  95          1HD       LYS  95 -11.680  -8.511 -13.431
  679   2HD   LYS  95          2HD       LYS  95 -11.917  -7.012 -14.306
  680   1HE   LYS  95          1HE       LYS  95  -9.822  -7.193 -15.439
  681   2HE   LYS  95          2HE       LYS  95  -9.189  -8.348 -14.284
  682   1HZ   LYS  95          1HZ       LYS  95 -11.167  -8.828 -16.417
  683   2HZ   LYS  95          2HZ       LYS  95  -9.814  -9.671 -16.085
  684    H    ASP  96           H        ASP  96 -10.675  -7.065  -7.646
  685    HA   ASP  96           HA       ASP  96 -11.402  -4.241  -7.699
  686   1HB   ASP  96          1HB       ASP  96 -12.778  -6.611  -6.687
  687   2HB   ASP  96          2HB       ASP  96 -12.489  -5.489  -5.373
  688    H    LEU  97           H        LEU  97  -9.016  -6.394  -6.836
  689    HA   LEU  97           HA       LEU  97  -8.312  -4.837  -4.449
  690   1HB   LEU  97          1HB       LEU  97  -8.098  -7.807  -4.910
  691   2HB   LEU  97          2HB       LEU  97  -7.155  -6.972  -3.691
  692    HG   LEU  97           HG       LEU  97 -10.139  -7.376  -3.810
  693   1HD1  LEU  97          1HD1      LEU  97  -7.894  -8.402  -2.223
  694   2HD1  LEU  97          2HD1      LEU  97  -9.280  -7.858  -1.247
  695   3HD1  LEU  97          3HD1      LEU  97  -9.512  -9.086  -2.514
  696   1HD2  LEU  97          3HD2      LEU  97  -8.641  -5.159  -2.496
  697   2HD2  LEU  97          1HD2      LEU  97 -10.285  -5.195  -3.178
  698   3HD2  LEU  97          2HD2      LEU  97  -9.965  -5.925  -1.587
  699    H    THR  98           H        THR  98  -7.136  -6.911  -7.176
  700    HA   THR  98           HA       THR  98  -4.658  -5.319  -7.126
  701    HB   THR  98           HB       THR  98  -3.543  -7.300  -7.932
  702    HG1  THR  98           HG1      THR  98  -6.263  -8.374  -8.166
  703   1HG2  THR  98          3HG2      THR  98  -5.769  -8.222  -6.037
  704   2HG2  THR  98          1HG2      THR  98  -4.304  -9.158  -6.422
  705   3HG2  THR  98          2HG2      THR  98  -4.170  -7.616  -5.543
  706    H    GLY  99           H        GLY  99  -7.535  -5.068  -8.476
  707   1HA   GLY  99          1HA       GLY  99  -7.150  -5.261 -11.245
  708   2HA   GLY  99          2HA       GLY  99  -8.324  -4.258 -10.417
  709    H    CYS 100           H        CYS 100  -6.673  -3.650 -12.837
  710    HA   CYS 100           HA       CYS 100  -4.790  -1.689 -11.868
  711   1HB   CYS 100          1HB       CYS 100  -5.452  -2.890 -14.520
  712   2HB   CYS 100          2HB       CYS 100  -4.713  -1.301 -14.494
  713    H    LYS 101           H        LYS 101  -7.850  -1.906 -13.813
  714    HA   LYS 101           HA       LYS 101  -8.383   0.870 -13.031
  715   1HB   LYS 101          1HB       LYS 101  -7.611   0.816 -15.369
  716   2HB   LYS 101          2HB       LYS 101  -8.860  -0.345 -15.769
  717   1HG   LYS 101          1HG       LYS 101 -10.438   1.538 -14.631
  718   2HG   LYS 101          2HG       LYS 101  -9.121   2.584 -15.123
  719   1HD   LYS 101          1HD       LYS 101  -9.903   0.672 -17.240
  720   2HD   LYS 101          2HD       LYS 101 -11.225   1.714 -16.755
  721   1HE   LYS 101          1HE       LYS 101  -8.656   3.163 -17.067
  722   2HE   LYS 101          2HE       LYS 101  -9.200   2.400 -18.548
  723   1HZ   LYS 101          1HZ       LYS 101 -10.514   4.519 -17.008
  724   2HZ   LYS 101          2HZ       LYS 101 -10.361   4.374 -18.623
  725    H    LYS 102           H        LYS 102 -10.469   1.287 -12.327
  726    HA   LYS 102           HA       LYS 102 -12.554   0.895 -11.696
  727   1HB   LYS 102          1HB       LYS 102 -12.803   0.042 -14.075
  728   2HB   LYS 102          2HB       LYS 102 -12.587  -1.577 -13.443
  729   1HG   LYS 102          1HG       LYS 102 -14.493  -0.855 -11.728
  730   2HG   LYS 102          2HG       LYS 102 -14.851   0.366 -12.933
  731   1HD   LYS 102          1HD       LYS 102 -14.494  -2.101 -14.351
  732   2HD   LYS 102          2HD       LYS 102 -15.506  -2.463 -12.967
  733   1HE   LYS 102          1HE       LYS 102 -16.540  -0.023 -13.929
  734   2HE   LYS 102          2HE       LYS 102 -16.144  -0.910 -15.388
  735   1HZ   LYS 102          1HZ       LYS 102 -17.903  -1.844 -13.188
  736   2HZ   LYS 102          2HZ       LYS 102 -18.340  -1.541 -14.728
  737    H    SER 103           H        SER 103 -10.469   0.219 -10.022
  738    HA   SER 103           HA       SER 103 -11.466  -2.265  -8.860
  739   1HB   SER 103          1HB       SER 103  -8.969  -1.962  -7.738
  740   2HB   SER 103          2HB       SER 103  -9.322  -2.977  -9.122
  741    HG   SER 103           HG       SER 103  -8.527  -0.194  -9.288
  742    H    LYS 104           H        LYS 104 -10.305  -2.117  -6.328
  743    HA   LYS 104           HA       LYS 104 -11.921  -0.097  -5.128
  744   1HB   LYS 104          1HB       LYS 104 -10.081  -2.247  -4.068
  745   2HB   LYS 104          2HB       LYS 104 -10.842  -1.076  -3.009
  746   1HG   LYS 104          1HG       LYS 104 -12.564  -2.546  -5.014
  747   2HG   LYS 104          2HG       LYS 104 -12.038  -3.399  -3.576
  748   1HD   LYS 104          1HD       LYS 104 -12.887  -0.981  -2.507
  749   2HD   LYS 104          2HD       LYS 104 -13.999  -1.180  -3.847
  750   1HE   LYS 104          1HE       LYS 104 -13.477  -3.550  -2.042
  751   2HE   LYS 104          2HE       LYS 104 -14.516  -2.267  -1.456
  752   1HZ   LYS 104          1HZ       LYS 104 -15.263  -2.898  -4.102
  753   2HZ   LYS 104          2HZ       LYS 104 -15.199  -4.287  -3.254
  754    H    CYS 105           H        CYS 105  -8.526  -0.482  -6.060
  755    HA   CYS 105           HA       CYS 105  -7.721   1.761  -4.448
  756   1HB   CYS 105          1HB       CYS 105  -6.136   0.205  -6.517
  757   2HB   CYS 105          2HB       CYS 105  -5.491   1.363  -5.371
  758    H    HIS 106           H        HIS 106  -7.452   0.942  -7.991
  759    HA   HIS 106           HA       HIS 106  -7.671   3.783  -8.557
  760   1HB   HIS 106          1HB       HIS 106  -6.894   1.436 -10.311
  761   2HB   HIS 106          2HB       HIS 106  -6.956   3.104 -10.845
  762    HD1  HIS 106           HD1      HIS 106  -5.428   4.731  -8.963
  763    HD2  HIS 106           HD2      HIS 106  -4.331   0.753  -9.721
  764    HE1  HIS 106           HE1      HIS 106  -2.974   4.526  -8.295
  765    H    GLU 107           H        GLU 107  -9.488   4.705  -9.405
  766    HA   GLU 107           HA       GLU 107 -11.531   2.828 -10.311
  767   1HB   GLU 107          1HB       GLU 107 -11.760   5.342  -8.632
  768   2HB   GLU 107          2HB       GLU 107 -13.132   4.766  -9.557
  769   1HG   GLU 107          1HG       GLU 107 -12.354   2.422  -8.361
  770   2HG   GLU 107          2HG       GLU 107 -11.831   3.569  -7.144
  771    HHA  HEC 108           HHA      HEC 108  -0.882   6.631   7.535
  772    HHB  HEC 108           HHB      HEC 108  -1.670   3.977  13.318
  773    HHC  HEC 108           HHC      HEC 108  -2.539  -1.752  10.583
  774    HHD  HEC 108           HHD      HEC 108  -1.152   0.828   4.824
  775   1HMA  HEC 108          1HMA      HEC 108  -1.699   7.611  12.714
  776   2HMA  HEC 108          2HMA      HEC 108  -1.786   6.028  13.523
  777   3HMA  HEC 108          3HMA      HEC 108  -0.203   6.751  13.151
  778   1HAA  HEC 108          1HAA      HEC 108  -0.315   8.007   8.933
  779   2HAA  HEC 108          2HAA      HEC 108  -1.694   8.501   9.945
  780   1HBA  HEC 108          1HBA      HEC 108   0.476   7.928  11.686
  781   2HBA  HEC 108          2HBA      HEC 108   1.093   8.942  10.360
  782   1HMB  HEC 108          1HMB      HEC 108  -3.529   1.305  14.939
  783   2HMB  HEC 108          2HMB      HEC 108  -1.764   1.345  15.161
  784   3HMB  HEC 108          3HMB      HEC 108  -2.631   2.817  14.663
  785    HAB  HEC 108           HAB      HEC 108  -3.226  -1.880  12.447
  786   1HBB  HEC 108          1HBB      HEC 108  -4.952  -0.277  13.603
  787   2HBB  HEC 108          2HBB      HEC 108  -4.771  -1.966  14.136
  788   3HBB  HEC 108          3HBB      HEC 108  -4.004  -0.654  15.062
  789   1HMC  HEC 108          1HMC      HEC 108  -1.766  -3.730   7.672
  790   2HMC  HEC 108          2HMC      HEC 108  -2.509  -3.226   9.209
  791   3HMC  HEC 108          3HMC      HEC 108  -3.496  -3.319   7.731
  792    HAC  HEC 108           HAC      HEC 108  -1.964  -1.078   4.497
  793   1HBC  HEC 108          1HBC      HEC 108  -3.739  -2.643   5.502
  794   2HBC  HEC 108          2HBC      HEC 108  -2.853  -3.185   4.057
  795   3HBC  HEC 108          3HBC      HEC 108  -2.411  -3.817   5.661
  796   1HMD  HEC 108          1HMD      HEC 108  -1.412   3.047   3.046
  797   2HMD  HEC 108          2HMD      HEC 108   0.137   3.922   3.093
  798   3HMD  HEC 108          3HMD      HEC 108   0.077   2.196   3.523
  799   1HAD  HEC 108          1HAD      HEC 108  -0.583   6.859   5.560
  800   2HAD  HEC 108          2HAD      HEC 108   0.819   6.080   4.787
  801   1HBD  HEC 108          1HBD      HEC 108  -1.389   5.324   3.237
  802   2HBD  HEC 108          2HBD      HEC 108  -1.637   7.045   3.617
  803    HHA  HEC 109           HHA      HEC 109  11.702  -2.211   1.729
  804    HHB  HEC 109           HHB      HEC 109   5.339  -1.521   1.348
  805    HHC  HEC 109           HHC      HEC 109   5.612   3.359   5.496
  806    HHD  HEC 109           HHD      HEC 109  12.084   3.326   4.939
  807   1HMA  HEC 109          1HMA      HEC 109   7.276  -3.986  -0.635
  808   2HMA  HEC 109          2HMA      HEC 109   6.515  -4.372   0.927
  809   3HMA  HEC 109          3HMA      HEC 109   5.935  -2.986  -0.027
  810   1HAA  HEC 109          1HAA      HEC 109  10.947  -3.909   0.898
  811   2HAA  HEC 109          2HAA      HEC 109   9.487  -4.808   0.420
  812   1HBA  HEC 109          1HBA      HEC 109   9.390  -3.551  -1.674
  813   2HBA  HEC 109          2HBA      HEC 109  10.836  -2.631  -1.195
  814   1HMB  HEC 109          1HMB      HEC 109   2.947  -1.180   3.252
  815   2HMB  HEC 109          2HMB      HEC 109   2.366   0.349   2.549
  816   3HMB  HEC 109          3HMB      HEC 109   3.401  -0.735   1.589
  817    HAB  HEC 109           HAB      HEC 109   3.719   2.801   5.371
  818   1HBB  HEC 109          1HBB      HEC 109   2.297   1.416   6.347
  819   2HBB  HEC 109          2HBB      HEC 109   1.325   1.406   4.855
  820   3HBB  HEC 109          3HBB      HEC 109   2.587   0.175   5.104
  821   1HMC  HEC 109          1HMC      HEC 109   7.325   6.097   6.041
  822   2HMC  HEC 109          2HMC      HEC 109   6.454   4.769   6.845
  823   3HMC  HEC 109          3HMC      HEC 109   7.914   5.458   7.594
  824    HAC  HEC 109           HAC      HEC 109  11.627   4.862   6.061
  825   1HBC  HEC 109          1HBC      HEC 109   9.852   6.025   8.160
  826   2HBC  HEC 109          2HBC      HEC 109  10.332   4.317   8.298
  827   3HBC  HEC 109          3HBC      HEC 109  11.576   5.587   8.223
  828   1HMD  HEC 109          1HMD      HEC 109  15.066   1.384   3.625
  829   2HMD  HEC 109          2HMD      HEC 109  14.104   2.855   3.905
  830   3HMD  HEC 109          3HMD      HEC 109  14.310   1.665   5.212
  831   1HAD  HEC 109          1HAD      HEC 109  13.649  -1.932   2.275
  832   2HAD  HEC 109          2HAD      HEC 109  14.385  -0.498   1.520
  833   1HBD  HEC 109          1HBD      HEC 109  14.960  -0.495   4.334
  834   2HBD  HEC 109          2HBD      HEC 109  15.392  -2.071   3.629
  835    HHA  HEC 110           HHA      HEC 110 -10.191  -4.708   0.950
  836    HHB  HEC 110           HHB      HEC 110  -6.352   0.093  -0.873
  837    HHC  HEC 110           HHC      HEC 110  -1.426  -2.766   2.061
  838    HHD  HEC 110           HHD      HEC 110  -5.117  -7.913   3.202
  839   1HMA  HEC 110          1HMA      HEC 110  -9.067  -0.264  -2.371
  840   2HMA  HEC 110          2HMA      HEC 110 -10.040   0.260  -0.976
  841   3HMA  HEC 110          3HMA      HEC 110  -8.322   0.713  -1.083
  842   1HAA  HEC 110          1HAA      HEC 110 -11.269  -1.810  -1.216
  843   2HAA  HEC 110          2HAA      HEC 110 -11.190  -3.507  -0.684
  844   1HBA  HEC 110          1HBA      HEC 110 -11.987  -3.038   1.392
  845   2HBA  HEC 110          2HBA      HEC 110 -11.273  -1.408   1.427
  846   1HMB  HEC 110          1HMB      HEC 110  -2.852   1.100  -1.406
  847   2HMB  HEC 110          2HMB      HEC 110  -4.625   1.011  -1.537
  848   3HMB  HEC 110          3HMB      HEC 110  -3.875   1.813  -0.136
  849    HAB  HEC 110           HAB      HEC 110  -0.737  -1.085   1.233
  850   1HBB  HEC 110          1HBB      HEC 110  -0.763   1.564   0.087
  851   2HBB  HEC 110          2HBB      HEC 110  -2.073   1.377   1.278
  852   3HBB  HEC 110          3HBB      HEC 110  -0.389   1.041   1.747
  853   1HMC  HEC 110          1HMC      HEC 110  -0.188  -4.327   2.526
  854   2HMC  HEC 110          2HMC      HEC 110  -0.256  -5.523   3.843
  855   3HMC  HEC 110          3HMC      HEC 110  -0.014  -6.061   2.163
  856    HAC  HEC 110           HAC      HEC 110  -3.190  -8.105   4.268
  857   1HBC  HEC 110          1HBC      HEC 110  -0.275  -7.540   3.689
  858   2HBC  HEC 110          2HBC      HEC 110  -1.161  -6.927   5.106
  859   3HBC  HEC 110          3HBC      HEC 110  -0.948  -8.680   4.879
  860   1HMD  HEC 110          1HMD      HEC 110  -8.585  -8.705   4.153
  861   2HMD  HEC 110          2HMD      HEC 110  -7.783  -9.474   2.762
  862   3HMD  HEC 110          3HMD      HEC 110  -6.808  -8.738   4.056
  863   1HAD  HEC 110          1HAD      HEC 110 -10.343  -8.078   2.744
  864   2HAD  HEC 110          2HAD      HEC 110 -10.796  -6.372   2.978
  865   1HBD  HEC 110          1HBD      HEC 110 -10.296  -6.690   0.218
  866   2HBD  HEC 110          2HBD      HEC 110 -11.266  -8.092   0.731
  867    HHA  HEC 111           HHA      HEC 111   0.511   5.499  -7.672
  868    HHB  HEC 111           HHB      HEC 111  -0.550   1.995 -12.934
  869    HHC  HEC 111           HHC      HEC 111  -3.248  -2.591  -9.359
  870    HHD  HEC 111           HHD      HEC 111  -2.976   1.366  -4.232
  871   1HMA  HEC 111          1HMA      HEC 111   1.521   3.493 -13.156
  872   2HMA  HEC 111          2HMA      HEC 111   0.037   4.429 -13.456
  873   3HMA  HEC 111          3HMA      HEC 111   1.487   5.240 -12.818
  874   1HAA  HEC 111          1HAA      HEC 111   0.776   6.884 -10.652
  875   2HAA  HEC 111          2HAA      HEC 111   1.528   6.335  -9.135
  876   1HBA  HEC 111          1HBA      HEC 111   3.510   6.287 -10.116
  877   2HBA  HEC 111          2HBA      HEC 111   2.913   5.139 -11.338
  878   1HMB  HEC 111          1HMB      HEC 111  -1.969  -0.572 -14.387
  879   2HMB  HEC 111          2HMB      HEC 111  -0.462   0.290 -13.995
  880   3HMB  HEC 111          3HMB      HEC 111  -0.518  -1.487 -13.912
  881    HAB  HEC 111           HAB      HEC 111  -3.445  -3.097 -11.473
  882   1HBB  HEC 111          1HBB      HEC 111  -1.988  -4.865 -11.611
  883   2HBB  HEC 111          2HBB      HEC 111  -0.754  -3.928 -12.487
  884   3HBB  HEC 111          3HBB      HEC 111  -0.997  -3.669 -10.743
  885   1HMC  HEC 111          1HMC      HEC 111  -5.667  -2.741  -6.650
  886   2HMC  HEC 111          2HMC      HEC 111  -4.539  -3.282  -7.917
  887   3HMC  HEC 111          3HMC      HEC 111  -4.190  -3.631  -6.206
  888    HAC  HEC 111           HAC      HEC 111  -3.898  -0.301  -3.644
  889   1HBC  HEC 111          1HBC      HEC 111  -4.475  -2.404  -2.731
  890   2HBC  HEC 111          2HBC      HEC 111  -4.825  -3.091  -4.335
  891   3HBC  HEC 111          3HBC      HEC 111  -3.149  -2.701  -3.881
  892   1HMD  HEC 111          1HMD      HEC 111  -1.037   4.326  -2.784
  893   2HMD  HEC 111          2HMD      HEC 111  -2.633   3.585  -3.054
  894   3HMD  HEC 111          3HMD      HEC 111  -1.205   2.554  -2.796
  895   1HAD  HEC 111          1HAD      HEC 111   0.703   5.326  -4.057
  896   2HAD  HEC 111          2HAD      HEC 111   0.828   5.915  -5.732
  897   1HBD  HEC 111          1HBD      HEC 111  -1.571   6.811  -5.354
  898   2HBD  HEC 111          2HBD      HEC 111  -1.205   6.590  -3.626
   
  No H/Q in entry =         898
  Start of MODEL    6
    1   1H    ALA   1          1H        ALA   1   0.241   2.793  23.499
    2   2H    ALA   1          2H        ALA   1  -1.368   2.761  23.108
    3    HA   ALA   1           HA       ALA   1   0.778   3.423  21.542
    4   1HB   ALA   1          1HB       ALA   1  -0.664   0.861  20.775
    5   2HB   ALA   1          2HB       ALA   1   0.225   1.862  19.603
    6   3HB   ALA   1          3HB       ALA   1   1.086   1.117  20.971
    7    HA   PRO   2           HA       PRO   2  -2.496   5.759  19.954
    8   1HB   PRO   2          1HB       PRO   2  -1.566   6.532  17.503
    9   2HB   PRO   2          2HB       PRO   2  -1.066   7.292  19.001
   10   1HG   PRO   2          1HG       PRO   2   0.431   5.400  17.293
   11   2HG   PRO   2          2HG       PRO   2   1.041   6.480  18.531
   12   1HD   PRO   2          1HD       PRO   2   0.657   3.648  18.764
   13   2HD   PRO   2          2HD       PRO   2   1.156   4.746  20.035
   14    H    LYS   3           H        LYS   3  -4.373   5.895  18.643
   15    HA   LYS   3           HA       LYS   3  -4.928   3.296  17.513
   16   1HB   LYS   3          1HB       LYS   3  -6.420   5.347  18.808
   17   2HB   LYS   3          2HB       LYS   3  -7.082   5.166  17.196
   18   1HG   LYS   3          1HG       LYS   3  -6.856   2.547  17.772
   19   2HG   LYS   3          2HG       LYS   3  -6.919   3.135  19.421
   20   1HD   LYS   3          1HD       LYS   3  -9.194   2.890  19.036
   21   2HD   LYS   3          2HD       LYS   3  -9.002   4.547  18.499
   22   1HE   LYS   3          1HE       LYS   3  -8.681   3.713  16.137
   23   2HE   LYS   3          2HE       LYS   3  -8.965   2.077  16.699
   24   1HZ   LYS   3          1HZ       LYS   3 -10.886   4.087  16.131
   25   2HZ   LYS   3          2HZ       LYS   3 -11.141   2.508  16.439
   26    H    ALA   4           H        ALA   4  -6.159   3.253  15.341
   27    HA   ALA   4           HA       ALA   4  -4.430   4.293  13.384
   28   1HB   ALA   4          3HB       ALA   4  -6.121   2.228  13.472
   29   2HB   ALA   4          1HB       ALA   4  -7.222   3.409  12.724
   30   3HB   ALA   4          2HB       ALA   4  -5.680   3.003  11.932
   31    HA   PRO   5           HA       PRO   5  -6.213   8.152  12.592
   32   1HB   PRO   5          1HB       PRO   5  -5.625   8.535   9.951
   33   2HB   PRO   5          2HB       PRO   5  -4.460   8.779  11.237
   34   1HG   PRO   5          1HG       PRO   5  -4.653   6.544   9.312
   35   2HG   PRO   5          2HG       PRO   5  -3.290   7.025  10.303
   36   1HD   PRO   5          1HD       PRO   5  -5.054   4.813  10.770
   37   2HD   PRO   5          2HD       PRO   5  -3.763   5.364  11.820
   38    H    ALA   6           H        ALA   6  -7.764   9.483  11.238
   39    HA   ALA   6           HA       ALA   6 -10.179   8.140  11.205
   40   1HB   ALA   6          1HB       ALA   6  -9.096  10.727  10.148
   41   2HB   ALA   6          2HB       ALA   6 -10.686  10.190   9.554
   42   3HB   ALA   6          3HB       ALA   6 -10.422  10.429  11.298
   43    H    ASP   7           H        ASP   7 -11.598   8.156   9.027
   44    HA   ASP   7           HA       ASP   7 -10.157   6.360   7.304
   45   1HB   ASP   7          1HB       ASP   7 -12.592   6.292   6.235
   46   2HB   ASP   7          2HB       ASP   7 -12.253   5.447   7.732
   47    H    GLY   8           H        GLY   8 -10.822   6.615   4.807
   48   1HA   GLY   8          1HA       GLY   8 -11.046   7.886   2.937
   49   2HA   GLY   8          2HA       GLY   8 -11.403   9.291   3.922
   50    H    LEU   9           H        LEU   9  -8.523   7.318   4.591
   51    HA   LEU   9           HA       LEU   9  -6.859   9.601   4.201
   52   1HB   LEU   9          1HB       LEU   9  -6.321   8.229   6.012
   53   2HB   LEU   9          2HB       LEU   9  -6.439   6.758   5.067
   54    HG   LEU   9           HG       LEU   9  -4.110   7.858   5.794
   55   1HD1  LEU   9          2HD1      LEU   9  -4.704   5.683   4.514
   56   2HD1  LEU   9          3HD1      LEU   9  -4.260   6.612   3.062
   57   3HD1  LEU   9          1HD1      LEU   9  -3.067   6.365   4.359
   58   1HD2  LEU   9          3HD2      LEU   9  -4.868   9.870   4.240
   59   2HD2  LEU   9          1HD2      LEU   9  -3.167   9.361   4.363
   60   3HD2  LEU   9          2HD2      LEU   9  -4.154   8.840   2.977
   61    H    LYS  10           H        LYS  10  -6.674  10.291   2.101
   62    HA   LYS  10           HA       LYS  10  -5.991   8.235   0.125
   63   1HB   LYS  10          1HB       LYS  10  -7.970   9.402  -0.508
   64   2HB   LYS  10          2HB       LYS  10  -7.270  10.963  -0.130
   65   1HG   LYS  10          1HG       LYS  10  -5.469  10.399  -1.930
   66   2HG   LYS  10          2HG       LYS  10  -6.538   9.100  -2.423
   67   1HD   LYS  10          1HD       LYS  10  -8.093  11.536  -2.121
   68   2HD   LYS  10          2HD       LYS  10  -6.700  11.874  -3.129
   69   1HE   LYS  10          1HE       LYS  10  -8.041  11.043  -4.803
   70   2HE   LYS  10          2HE       LYS  10  -7.459   9.494  -4.228
   71   1HZ   LYS  10          1HZ       LYS  10  -9.697  10.389  -2.693
   72   2HZ   LYS  10          2HZ       LYS  10 -10.083  10.303  -4.273
   73    H    MET  11           H        MET  11  -4.122   8.447  -1.161
   74    HA   MET  11           HA       MET  11  -2.325  10.553  -0.235
   75   1HB   MET  11          1HB       MET  11  -0.470   8.861  -0.620
   76   2HB   MET  11          2HB       MET  11  -1.583   8.371   0.642
   77   1HG   MET  11          1HG       MET  11  -2.626   7.407  -1.875
   78   2HG   MET  11          2HG       MET  11  -0.929   6.976  -1.798
   79   1HE   MET  11          1HE       MET  11   0.144   5.583  -0.442
   80   2HE   MET  11          2HE       MET  11  -0.521   4.413   0.723
   81   3HE   MET  11          3HE       MET  11  -0.850   4.222  -1.016
   82    H    GLU  12           H        GLU  12  -2.007  12.000  -1.869
   83    HA   GLU  12           HA       GLU  12  -2.041  10.915  -4.572
   84   1HB   GLU  12          1HB       GLU  12  -3.733  12.708  -3.927
   85   2HB   GLU  12          2HB       GLU  12  -2.395  13.822  -3.727
   86   1HG   GLU  12          1HG       GLU  12  -2.609  12.274  -6.315
   87   2HG   GLU  12          2HG       GLU  12  -3.691  13.629  -6.060
   88    H    ALA  13           H        ALA  13   0.262  10.185  -3.926
   89    HA   ALA  13           HA       ALA  13   2.158  12.403  -3.994
   90   1HB   ALA  13          3HB       ALA  13   2.272  10.545  -2.263
   91   2HB   ALA  13          1HB       ALA  13   2.687   9.437  -3.592
   92   3HB   ALA  13          2HB       ALA  13   3.763  10.800  -3.201
   93    H    THR  14           H        THR  14   0.512  10.243  -6.072
   94    HA   THR  14           HA       THR  14   2.545  10.716  -8.143
   95    HB   THR  14           HB       THR  14   2.362   8.433  -8.873
   96    HG1  THR  14           HG1      THR  14   0.081   8.542  -7.034
   97   1HG2  THR  14          1HG2      THR  14   2.087   8.345  -5.821
   98   2HG2  THR  14          2HG2      THR  14   2.695   7.023  -6.846
   99   3HG2  THR  14          3HG2      THR  14   3.621   8.536  -6.703
  100    H    LYS  15           H        LYS  15   1.436  10.089 -10.400
  101    HA   LYS  15           HA       LYS  15  -0.576  12.021 -10.718
  102   1HB   LYS  15          1HB       LYS  15   1.137  11.317 -12.418
  103   2HB   LYS  15          2HB       LYS  15   0.238   9.832 -12.649
  104   1HG   LYS  15          1HG       LYS  15  -1.541  10.896 -13.708
  105   2HG   LYS  15          2HG       LYS  15  -1.340  12.382 -12.801
  106   1HD   LYS  15          1HD       LYS  15   0.652  12.980 -14.127
  107   2HD   LYS  15          2HD       LYS  15   0.602  11.440 -14.962
  108   1HE   LYS  15          1HE       LYS  15  -1.833  12.149 -15.666
  109   2HE   LYS  15          2HE       LYS  15  -1.345  13.763 -15.188
  110   1HZ   LYS  15          1HZ       LYS  15   0.722  12.807 -16.756
  111   2HZ   LYS  15          2HZ       LYS  15  -0.626  12.339 -17.541
  112    H    GLN  16           H        GLN  16  -0.675   8.853  -9.457
  113    HA   GLN  16           HA       GLN  16  -3.540   8.792  -9.995
  114   1HB   GLN  16          1HB       GLN  16  -1.767   6.332  -9.693
  115   2HB   GLN  16          2HB       GLN  16  -3.468   6.354 -10.114
  116   1HG   GLN  16          1HG       GLN  16  -1.696   7.997 -11.876
  117   2HG   GLN  16          2HG       GLN  16  -1.434   6.266 -11.957
  118   1HE2  GLN  16          2HE2      GLN  16  -4.815   5.505 -13.035
  119   2HE2  GLN  16          1HE2      GLN  16  -3.623   4.996 -11.885
  120    HA   PRO  17           HA       PRO  17  -3.244   8.921  -5.575
  121   1HB   PRO  17          1HB       PRO  17  -5.724   9.979  -5.128
  122   2HB   PRO  17          2HB       PRO  17  -4.298  10.960  -5.399
  123   1HG   PRO  17          1HG       PRO  17  -6.534  10.390  -7.247
  124   2HG   PRO  17          2HG       PRO  17  -5.343  11.674  -7.327
  125   1HD   PRO  17          1HD       PRO  17  -5.392   9.277  -8.903
  126   2HD   PRO  17          2HD       PRO  17  -4.141  10.504  -8.900
  127    H    VAL  18           H        VAL  18  -4.265   7.885  -3.720
  128    HA   VAL  18           HA       VAL  18  -6.206   5.876  -4.554
  129    HB   VAL  18           HB       VAL  18  -3.520   5.324  -3.287
  130   1HG1  VAL  18          3HG1      VAL  18  -6.075   3.798  -3.155
  131   2HG1  VAL  18          1HG1      VAL  18  -4.594   2.866  -3.482
  132   3HG1  VAL  18          2HG1      VAL  18  -4.713   3.862  -2.011
  133   1HG2  VAL  18          2HG2      VAL  18  -4.682   4.981  -5.960
  134   2HG2  VAL  18          3HG2      VAL  18  -2.980   4.974  -5.438
  135   3HG2  VAL  18          1HG2      VAL  18  -3.957   3.491  -5.310
  136    H    VAL  19           H        VAL  19  -7.528   5.111  -2.807
  137    HA   VAL  19           HA       VAL  19  -7.271   6.784  -0.404
  138    HB   VAL  19           HB       VAL  19  -9.680   5.761  -1.903
  139   1HG1  VAL  19          2HG1      VAL  19  -9.405   6.131   0.938
  140   2HG1  VAL  19          3HG1      VAL  19 -10.512   7.362   0.284
  141   3HG1  VAL  19          1HG1      VAL  19 -10.834   5.635   0.000
  142   1HG2  VAL  19          1HG2      VAL  19  -8.245   8.158  -2.047
  143   2HG2  VAL  19          2HG2      VAL  19  -9.872   7.843  -2.696
  144   3HG2  VAL  19          3HG2      VAL  19  -9.683   8.550  -1.074
  145    H    PHE  20           H        PHE  20  -6.637   5.671   1.362
  146    HA   PHE  20           HA       PHE  20  -7.187   2.786   1.383
  147   1HB   PHE  20          1HB       PHE  20  -4.797   3.677   1.483
  148   2HB   PHE  20          2HB       PHE  20  -5.225   4.625   2.893
  149    HD1  PHE  20           HD2      PHE  20  -5.101   1.084   1.683
  150    HD2  PHE  20           HD1      PHE  20  -4.919   3.733   5.037
  151    HE1  PHE  20           HE2      PHE  20  -4.462  -0.860   3.193
  152    HE2  PHE  20           HE1      PHE  20  -4.280   1.781   6.535
  153    HZ   PHE  20           HZ       PHE  20  -4.051  -0.525   5.490
  154    H    ASN  21           H        ASN  21  -7.637   1.811   3.562
  155    HA   ASN  21           HA       ASN  21  -8.884   3.723   5.351
  156   1HB   ASN  21          1HB       ASN  21 -10.168   1.195   4.203
  157   2HB   ASN  21          2HB       ASN  21 -10.785   1.986   5.640
  158   1HD2  ASN  21          2HD2      ASN  21 -12.008   4.900   4.007
  159   2HD2  ASN  21          1HD2      ASN  21 -11.318   4.291   5.474
  160    H    HIS  22           H        HIS  22  -8.733   3.049   7.583
  161    HA   HIS  22           HA       HIS  22  -6.981   0.762   7.978
  162   1HB   HIS  22          1HB       HIS  22  -7.628   3.238   9.545
  163   2HB   HIS  22          2HB       HIS  22  -7.010   1.832  10.389
  164    HD1  HIS  22           HD1      HIS  22  -6.003   4.531   7.981
  165    HD2  HIS  22           HD2      HIS  22  -4.303   1.162   9.813
  166    HE1  HIS  22           HE1      HIS  22  -3.487   4.700   7.593
  167    H    SER  23           H        SER  23 -10.299   1.745   8.213
  168    HA   SER  23           HA       SER  23 -10.932  -0.036  10.336
  169   1HB   SER  23          1HB       SER  23 -12.411   1.850   8.543
  170   2HB   SER  23          2HB       SER  23 -13.346   0.520   9.195
  171    HG   SER  23           HG       SER  23 -13.403   2.385  10.596
  172    H    THR  24           H        THR  24  -9.936  -0.557   7.210
  173    HA   THR  24           HA       THR  24 -11.759  -2.829   6.800
  174    HB   THR  24           HB       THR  24  -9.983  -1.201   4.909
  175    HG1  THR  24           HG1      THR  24 -12.043  -0.265   5.564
  176   1HG2  THR  24          2HG2      THR  24 -10.178  -3.655   4.231
  177   2HG2  THR  24          3HG2      THR  24 -11.947  -3.458   4.257
  178   3HG2  THR  24          1HG2      THR  24 -10.965  -2.531   3.097
  179    H    HIS  25           H        HIS  25  -8.342  -1.827   7.138
  180    HA   HIS  25           HA       HIS  25  -7.577  -4.626   6.918
  181   1HB   HIS  25          1HB       HIS  25  -5.879  -2.121   7.099
  182   2HB   HIS  25          2HB       HIS  25  -5.270  -3.749   6.882
  183    HD1  HIS  25           HD1      HIS  25  -7.444  -1.183   5.069
  184    HD2  HIS  25           HD2      HIS  25  -5.158  -4.608   4.263
  185    HE1  HIS  25           HE1      HIS  25  -7.362  -1.407   2.528
  186    H    LYS  26           H        LYS  26  -9.215  -3.740   9.166
  187    HA   LYS  26           HA       LYS  26  -7.600  -3.229  11.411
  188   1HB   LYS  26          1HB       LYS  26 -10.367  -4.464  11.298
  189   2HB   LYS  26          2HB       LYS  26  -9.615  -3.714  12.691
  190   1HG   LYS  26          1HG       LYS  26  -9.485  -1.543  11.460
  191   2HG   LYS  26          2HG       LYS  26 -10.219  -2.290  10.056
  192   1HD   LYS  26          1HD       LYS  26 -12.159  -1.476  10.994
  193   2HD   LYS  26          2HD       LYS  26 -12.092  -2.976  11.898
  194   1HE   LYS  26          1HE       LYS  26 -10.443  -1.260  13.389
  195   2HE   LYS  26          2HE       LYS  26 -11.730  -0.202  12.845
  196   1HZ   LYS  26          1HZ       LYS  26 -13.334  -1.860  13.725
  197   2HZ   LYS  26          2HZ       LYS  26 -12.108  -2.762  14.303
  198    H    SER  27           H        SER  27  -8.745  -6.214   9.786
  199    HA   SER  27           HA       SER  27  -7.836  -7.889  11.859
  200   1HB   SER  27          1HB       SER  27  -9.258  -8.146   9.363
  201   2HB   SER  27          2HB       SER  27  -7.933  -9.294   9.347
  202    HG   SER  27           HG       SER  27  -8.880  -9.600  11.762
  203    H    VAL  28           H        VAL  28  -6.244  -6.023   9.476
  204    HA   VAL  28           HA       VAL  28  -4.048  -7.889   9.138
  205    HB   VAL  28           HB       VAL  28  -4.392  -5.066   8.114
  206   1HG1  VAL  28          2HG1      VAL  28  -2.474  -7.313   7.484
  207   2HG1  VAL  28          3HG1      VAL  28  -2.811  -6.016   6.311
  208   3HG1  VAL  28          1HG1      VAL  28  -2.121  -5.619   7.904
  209   1HG2  VAL  28          2HG2      VAL  28  -5.888  -7.382   7.428
  210   2HG2  VAL  28          3HG2      VAL  28  -5.890  -5.790   6.631
  211   3HG2  VAL  28          1HG2      VAL  28  -4.770  -7.060   6.081
  212    H    LYS  29           H        LYS  29  -1.995  -7.645  10.044
  213    HA   LYS  29           HA       LYS  29  -1.926  -6.200  12.486
  214   1HB   LYS  29          1HB       LYS  29  -0.438  -8.287  11.187
  215   2HB   LYS  29          2HB       LYS  29   0.680  -7.052  11.731
  216   1HG   LYS  29          1HG       LYS  29  -0.613  -7.112  13.990
  217   2HG   LYS  29          2HG       LYS  29  -1.352  -8.587  13.400
  218   1HD   LYS  29          1HD       LYS  29   0.640  -9.801  13.494
  219   2HD   LYS  29          2HD       LYS  29   1.643  -8.394  13.201
  220   1HE   LYS  29          1HE       LYS  29   2.084  -8.533  15.448
  221   2HE   LYS  29          2HE       LYS  29   0.557  -7.690  15.618
  222   1HZ   LYS  29          1HZ       LYS  29   0.259  -9.555  16.950
  223   2HZ   LYS  29          2HZ       LYS  29  -0.418 -10.090  15.569
  224    H    CYS  30           H        CYS  30  -0.878  -4.282  13.019
  225    HA   CYS  30           HA       CYS  30  -0.673  -2.387  10.998
  226   1HB   CYS  30          1HB       CYS  30   0.727  -2.140  13.649
  227   2HB   CYS  30          2HB       CYS  30   0.027  -0.878  12.656
  228    H    GLY  31           H        GLY  31   1.614  -4.697  12.455
  229   1HA   GLY  31          1HA       GLY  31   3.980  -3.463  11.404
  230   2HA   GLY  31          2HA       GLY  31   3.832  -5.045  12.142
  231    H    ASP  32           H        ASP  32   1.379  -5.053   9.912
  232    HA   ASP  32           HA       ASP  32   2.898  -6.673   8.155
  233   1HB   ASP  32          1HB       ASP  32   0.451  -7.010   8.833
  234   2HB   ASP  32          2HB       ASP  32   0.045  -5.642   7.817
  235    H    CYS  33           H        CYS  33   1.481  -3.380   8.231
  236    HA   CYS  33           HA       CYS  33   2.394  -2.947   5.490
  237   1HB   CYS  33          1HB       CYS  33   0.224  -1.750   7.158
  238   2HB   CYS  33          2HB       CYS  33   1.026  -0.697   6.010
  239    H    HIS  34           H        HIS  34   2.275  -1.396   8.784
  240    HA   HIS  34           HA       HIS  34   4.358   0.420   8.085
  241   1HB   HIS  34          1HB       HIS  34   3.059  -0.219  10.749
  242   2HB   HIS  34          2HB       HIS  34   4.185   1.095  10.470
  243    HD1  HIS  34           HD1      HIS  34   3.342   3.093   8.914
  244    HD2  HIS  34           HD2      HIS  34   0.425   0.267   9.964
  245    HE1  HIS  34           HE1      HIS  34   1.088   4.161   8.381
  246    H    HIS  35           H        HIS  35   5.540  -1.804   7.356
  247    HA   HIS  35           HA       HIS  35   6.646  -3.527   9.092
  248   1HB   HIS  35          1HB       HIS  35   8.462  -3.796   7.503
  249   2HB   HIS  35          2HB       HIS  35   6.929  -3.626   6.672
  250    HD1  HIS  35           HD1      HIS  35   9.953  -1.468   7.610
  251    HD2  HIS  35           HD2      HIS  35   6.913  -1.689   4.728
  252    HE1  HIS  35           HE1      HIS  35  10.472   0.338   5.883
  253    HA   PRO  36           HA       PRO  36   9.280  -1.281  11.685
  254   1HB   PRO  36          1HB       PRO  36  10.998  -3.233  12.525
  255   2HB   PRO  36          2HB       PRO  36   9.394  -3.015  13.195
  256   1HG   PRO  36          1HG       PRO  36  10.352  -5.088  11.317
  257   2HG   PRO  36          2HG       PRO  36   8.911  -5.092  12.314
  258   1HD   PRO  36          1HD       PRO  36   9.045  -4.591   9.493
  259   2HD   PRO  36          2HD       PRO  36   7.623  -4.481  10.511
  260    H    VAL  37           H        VAL  37  10.926   0.145  11.564
  261    HA   VAL  37           HA       VAL  37  13.049  -0.653   9.704
  262    HB   VAL  37           HB       VAL  37  11.620   2.011   9.829
  263   1HG1  VAL  37          1HG1      VAL  37  14.289   1.421   9.052
  264   2HG1  VAL  37          2HG1      VAL  37  13.366   1.738   7.565
  265   3HG1  VAL  37          3HG1      VAL  37  13.398   2.950   8.868
  266   1HG2  VAL  37          3HG2      VAL  37  10.406   0.133   8.674
  267   2HG2  VAL  37          1HG2      VAL  37  10.791   1.524   7.631
  268   3HG2  VAL  37          2HG2      VAL  37  11.766   0.038   7.529
  269    H    ASN  38           H        ASN  38  14.837  -0.873  10.949
  270    HA   ASN  38           HA       ASN  38  16.550  -0.066  12.105
  271   1HB   ASN  38          1HB       ASN  38  15.300   2.312  11.834
  272   2HB   ASN  38          2HB       ASN  38  14.933   2.062  13.529
  273   1HD2  ASN  38          2HD2      ASN  38  17.989   3.949  13.706
  274   2HD2  ASN  38          1HD2      ASN  38  16.286   4.114  13.439
  275    H    GLY  39           H        GLY  39  13.345  -0.823  13.149
  276   1HA   GLY  39          1HA       GLY  39  13.108  -2.512  14.834
  277   2HA   GLY  39          2HA       GLY  39  14.364  -1.727  15.771
  278    H    LYS  40           H        LYS  40  12.598   0.762  14.357
  279    HA   LYS  40           HA       LYS  40  10.998   1.036  16.796
  280   1HB   LYS  40          1HB       LYS  40  11.075   3.407  16.427
  281   2HB   LYS  40          2HB       LYS  40  12.707   2.776  16.341
  282   1HG   LYS  40          1HG       LYS  40  12.125   2.577  13.722
  283   2HG   LYS  40          2HG       LYS  40  10.955   3.821  14.117
  284   1HD   LYS  40          1HD       LYS  40  13.236   4.746  15.418
  285   2HD   LYS  40          2HD       LYS  40  13.916   3.988  13.992
  286   1HE   LYS  40          1HE       LYS  40  11.504   5.716  13.544
  287   2HE   LYS  40          2HE       LYS  40  12.971   6.549  14.017
  288   1HZ   LYS  40          1HZ       LYS  40  12.921   6.338  11.628
  289   2HZ   LYS  40          2HZ       LYS  40  14.111   5.363  12.163
  290    H    GLU  41           H        GLU  41   9.054   0.041  16.433
  291    HA   GLU  41           HA       GLU  41   7.857   0.327  13.839
  292   1HB   GLU  41          1HB       GLU  41   7.778  -1.619  15.890
  293   2HB   GLU  41          2HB       GLU  41   6.167  -0.931  15.870
  294   1HG   GLU  41          1HG       GLU  41   6.096  -1.289  13.361
  295   2HG   GLU  41          2HG       GLU  41   7.656  -2.081  13.463
  296    H    ASP  42           H        ASP  42   6.869   2.263  13.415
  297    HA   ASP  42           HA       ASP  42   5.025   3.195  15.460
  298   1HB   ASP  42          1HB       ASP  42   7.386   4.492  14.965
  299   2HB   ASP  42          2HB       ASP  42   6.379   5.252  13.749
  300    H    TYR  43           H        TYR  43   3.681   5.180  14.220
  301    HA   TYR  43           HA       TYR  43   2.870   4.004  11.652
  302   1HB   TYR  43          1HB       TYR  43   1.416   5.949  13.541
  303   2HB   TYR  43          2HB       TYR  43   0.680   5.016  12.252
  304    HD1  TYR  43           HD1      TYR  43   2.101   2.355  12.878
  305    HD2  TYR  43           HD2      TYR  43   0.062   5.189  15.352
  306    HE1  TYR  43           HE1      TYR  43   1.539   0.513  14.538
  307    HE2  TYR  43           HE2      TYR  43  -0.493   3.338  17.003
  308    HH   TYR  43           HH       TYR  43   0.410  -0.022  16.315
  309    H    ARG  44           H        ARG  44   3.203   5.156   9.814
  310    HA   ARG  44           HA       ARG  44   3.086   7.994   9.935
  311   1HB   ARG  44          1HB       ARG  44   5.348   8.396   9.018
  312   2HB   ARG  44          2HB       ARG  44   5.468   7.577  10.562
  313   1HG   ARG  44          1HG       ARG  44   5.252   5.661   8.338
  314   2HG   ARG  44          2HG       ARG  44   6.617   6.740   8.127
  315   1HD   ARG  44          1HD       ARG  44   6.078   5.264  10.745
  316   2HD   ARG  44          2HD       ARG  44   7.079   4.596   9.471
  317    HE   ARG  44           HE       ARG  44   8.698   6.354   9.826
  318   1HH1  ARG  44          2HH2      ARG  44   5.977   6.509  12.090
  319   2HH1  ARG  44          1HH2      ARG  44   6.803   7.545  13.205
  320    HH2  ARG  44           HH1      ARG  44   9.043   8.245  12.719
  321    H    LYS  45           H        LYS  45   3.831   8.813   7.500
  322    HA   LYS  45           HA       LYS  45   2.168   7.236   5.746
  323   1HB   LYS  45          1HB       LYS  45   3.563   9.896   5.319
  324   2HB   LYS  45          2HB       LYS  45   2.415   9.157   4.221
  325   1HG   LYS  45          1HG       LYS  45   0.977  10.535   5.427
  326   2HG   LYS  45          2HG       LYS  45   0.850   9.068   6.378
  327   1HD   LYS  45          1HD       LYS  45   2.020   9.952   8.166
  328   2HD   LYS  45          2HD       LYS  45   3.101  10.878   7.144
  329   1HE   LYS  45          1HE       LYS  45   0.691  12.148   6.651
  330   2HE   LYS  45          2HE       LYS  45   0.477  11.658   8.320
  331   1HZ   LYS  45          1HZ       LYS  45   1.566  13.809   8.222
  332   2HZ   LYS  45          2HZ       LYS  45   2.634  12.736   8.821
  333    H    CYS  46           H        CYS  46   2.856   5.894   4.137
  334    HA   CYS  46           HA       CYS  46   5.454   4.968   4.157
  335   1HB   CYS  46          1HB       CYS  46   3.724   4.766   1.712
  336   2HB   CYS  46          2HB       CYS  46   4.861   3.602   2.363
  337    H    GLY  47           H        GLY  47   3.759   7.351   2.018
  338   1HA   GLY  47          1HA       GLY  47   6.090   7.858   0.419
  339   2HA   GLY  47          2HA       GLY  47   4.559   8.710   0.388
  340    H    THR  48           H        THR  48   7.042   8.136   2.987
  341    HA   THR  48           HA       THR  48   6.877  10.983   3.633
  342    HB   THR  48           HB       THR  48   7.651   8.423   5.042
  343    HG1  THR  48           HG1      THR  48   6.358  10.942   5.802
  344   1HG2  THR  48          3HG2      THR  48   8.993  11.059   5.390
  345   2HG2  THR  48          1HG2      THR  48   8.236  10.430   6.873
  346   3HG2  THR  48          2HG2      THR  48   9.463   9.462   6.020
  347    H    ALA  49           H        ALA  49   8.460  12.435   3.262
  348    HA   ALA  49           HA       ALA  49  10.424  11.892   1.402
  349   1HB   ALA  49          3HB       ALA  49   9.566  14.085   3.124
  350   2HB   ALA  49          1HB       ALA  49  11.337  14.057   2.944
  351   3HB   ALA  49          2HB       ALA  49  10.297  14.137   1.502
  352    H    GLY  50           H        GLY  50  11.950  10.317   1.646
  353   1HA   GLY  50          1HA       GLY  50  14.194  10.095   2.616
  354   2HA   GLY  50          2HA       GLY  50  13.460  10.319   4.192
  355    H    CYS  51           H        CYS  51  11.044   8.693   2.763
  356    HA   CYS  51           HA       CYS  51  12.190   6.111   3.523
  357   1HB   CYS  51          1HB       CYS  51   9.330   7.115   3.596
  358   2HB   CYS  51          2HB       CYS  51   9.763   5.431   3.816
  359    H    HIS  52           H        HIS  52   9.140   6.616   1.737
  360    HA   HIS  52           HA       HIS  52  10.394   5.293  -0.550
  361   1HB   HIS  52          1HB       HIS  52   7.529   5.357   0.424
  362   2HB   HIS  52          2HB       HIS  52   7.994   4.724  -1.143
  363    HD1  HIS  52           HD1      HIS  52   9.929   2.706  -0.970
  364    HD2  HIS  52           HD2      HIS  52   7.572   3.481   2.411
  365    HE1  HIS  52           HE1      HIS  52  10.101   0.636   0.511
  366    H    ASP  53           H        ASP  53  11.271   7.616  -0.908
  367    HA   ASP  53           HA       ASP  53   9.255   9.020  -2.476
  368   1HB   ASP  53          1HB       ASP  53  10.215  10.077  -0.216
  369   2HB   ASP  53          2HB       ASP  53  11.600  10.462  -1.218
  370    H    SER  54           H        SER  54  10.230   7.571  -4.228
  371    HA   SER  54           HA       SER  54  12.924   8.381  -4.946
  372   1HB   SER  54          1HB       SER  54  12.788   6.412  -6.536
  373   2HB   SER  54          2HB       SER  54  12.683   5.988  -4.839
  374    HG   SER  54           HG       SER  54  10.341   6.411  -6.481
  375    H    MET  55           H        MET  55   9.510   8.361  -5.988
  376    HA   MET  55           HA       MET  55   8.460   9.245  -7.680
  377   1HB   MET  55          1HB       MET  55  10.556  11.184  -6.869
  378   2HB   MET  55          2HB       MET  55  10.029  11.443  -8.520
  379   1HG   MET  55          1HG       MET  55   8.397  12.698  -7.461
  380   2HG   MET  55          2HG       MET  55   7.587  11.146  -7.396
  381   1HE   MET  55          3HE       MET  55   7.795   9.505  -5.628
  382   2HE   MET  55          1HE       MET  55   7.826   9.923  -3.899
  383   3HE   MET  55          2HE       MET  55   6.493  10.497  -4.929
  384    H    ASP  56           H        ASP  56  10.349   7.129  -8.365
  385    HA   ASP  56           HA       ASP  56  11.344   8.053 -10.929
  386   1HB   ASP  56          1HB       ASP  56  12.574   6.535  -9.027
  387   2HB   ASP  56          2HB       ASP  56  11.824   5.252  -9.956
  388    H    LYS  57           H        LYS  57   9.359   5.510  -9.277
  389    HA   LYS  57           HA       LYS  57   7.674   4.260  -9.968
  390   1HB   LYS  57          1HB       LYS  57   6.684   6.285 -10.857
  391   2HB   LYS  57          2HB       LYS  57   7.630   6.163 -12.326
  392   1HG   LYS  57          1HG       LYS  57   6.347   3.645 -12.084
  393   2HG   LYS  57          2HG       LYS  57   5.125   4.814 -11.625
  394   1HD   LYS  57          1HD       LYS  57   6.809   5.148 -14.143
  395   2HD   LYS  57          2HD       LYS  57   5.312   4.236 -14.144
  396   1HE   LYS  57          1HE       LYS  57   4.344   6.261 -14.611
  397   2HE   LYS  57          2HE       LYS  57   4.468   6.524 -12.883
  398   1HZ   LYS  57          1HZ       LYS  57   6.397   7.814 -13.168
  399   2HZ   LYS  57          2HZ       LYS  57   6.718   7.245 -14.660
  400    H    LYS  58           H        LYS  58   9.409   5.023 -13.073
  401    HA   LYS  58           HA       LYS  58   9.324   2.307 -13.868
  402   1HB   LYS  58          1HB       LYS  58   9.403   4.438 -15.314
  403   2HB   LYS  58          2HB       LYS  58  11.129   4.439 -15.017
  404   1HG   LYS  58          1HG       LYS  58  10.580   1.766 -15.713
  405   2HG   LYS  58          2HG       LYS  58   9.538   2.691 -16.777
  406   1HD   LYS  58          1HD       LYS  58  12.290   3.794 -16.528
  407   2HD   LYS  58          2HD       LYS  58  12.230   2.188 -17.228
  408   1HE   LYS  58          1HE       LYS  58  10.296   4.290 -18.232
  409   2HE   LYS  58          2HE       LYS  58  11.964   4.351 -18.767
  410   1HZ   LYS  58          1HZ       LYS  58  10.907   2.964 -20.315
  411   2HZ   LYS  58          2HZ       LYS  58  11.611   1.878 -19.327
  412    H    ASP  59           H        ASP  59  10.201   1.678 -11.573
  413    HA   ASP  59           HA       ASP  59  12.802   0.753 -12.014
  414   1HB   ASP  59          1HB       ASP  59  12.450   3.248 -10.444
  415   2HB   ASP  59          2HB       ASP  59  13.337   2.009  -9.579
  416    H    LYS  60           H        LYS  60  13.565  -0.467  -9.890
  417    HA   LYS  60           HA       LYS  60  11.446  -0.953  -7.994
  418   1HB   LYS  60          1HB       LYS  60  12.294  -3.002 -10.037
  419   2HB   LYS  60          2HB       LYS  60  11.703  -3.492  -8.462
  420   1HG   LYS  60          1HG       LYS  60   9.645  -3.373  -9.466
  421   2HG   LYS  60          2HG       LYS  60   9.778  -1.661  -9.115
  422   1HD   LYS  60          1HD       LYS  60  11.076  -1.599 -11.453
  423   2HD   LYS  60          2HD       LYS  60  10.213  -3.097 -11.739
  424   1HE   LYS  60          1HE       LYS  60   8.075  -2.046 -11.587
  425   2HE   LYS  60          2HE       LYS  60   8.716  -0.649 -10.745
  426   1HZ   LYS  60          1HZ       LYS  60  10.087  -0.497 -13.025
  427   2HZ   LYS  60          2HZ       LYS  60   8.744  -1.217 -13.599
  428    H    SER  61           H        SER  61  12.262  -1.540  -5.998
  429    HA   SER  61           HA       SER  61  14.615  -2.876  -5.604
  430   1HB   SER  61          1HB       SER  61  15.117  -0.187  -6.396
  431   2HB   SER  61          2HB       SER  61  15.416  -0.235  -4.670
  432    HG   SER  61           HG       SER  61  17.346  -0.800  -5.739
  433    H    ALA  62           H        ALA  62  13.157   0.178  -4.242
  434    HA   ALA  62           HA       ALA  62  11.723  -1.077  -2.230
  435   1HB   ALA  62          3HB       ALA  62  14.340  -1.447  -1.661
  436   2HB   ALA  62          1HB       ALA  62  14.106   0.153  -0.918
  437   3HB   ALA  62          2HB       ALA  62  13.099  -1.222  -0.405
  438    H    LYS  63           H        LYS  63  13.857   1.741  -3.010
  439    HA   LYS  63           HA       LYS  63  12.299   3.599  -1.588
  440   1HB   LYS  63          1HB       LYS  63  14.439   3.768  -3.696
  441   2HB   LYS  63          2HB       LYS  63  13.564   5.208  -3.219
  442   1HG   LYS  63          1HG       LYS  63  14.190   3.985  -0.765
  443   2HG   LYS  63          2HG       LYS  63  15.616   3.692  -1.741
  444   1HD   LYS  63          1HD       LYS  63  14.562   6.453  -2.004
  445   2HD   LYS  63          2HD       LYS  63  15.055   6.052  -0.371
  446   1HE   LYS  63          1HE       LYS  63  17.300   5.728  -0.970
  447   2HE   LYS  63          2HE       LYS  63  16.911   5.278  -2.618
  448   1HZ   LYS  63          1HZ       LYS  63  16.066   7.934  -2.181
  449   2HZ   LYS  63          2HZ       LYS  63  17.616   7.814  -1.696
  450    H    GLY  64           H        GLY  64  11.729   1.830  -4.487
  451   1HA   GLY  64          1HA       GLY  64  10.236   3.752  -5.941
  452   2HA   GLY  64          2HA       GLY  64  10.207   2.011  -6.138
  453    H    TYR  65           H        TYR  65   8.731   4.805  -4.525
  454    HA   TYR  65           HA       TYR  65   7.082   3.605  -2.703
  455   1HB   TYR  65          1HB       TYR  65   7.317   6.052  -3.056
  456   2HB   TYR  65          2HB       TYR  65   6.753   5.914  -4.709
  457    HD1  TYR  65           HD1      TYR  65   5.581   5.256  -1.205
  458    HD2  TYR  65           HD2      TYR  65   4.532   6.425  -5.185
  459    HE1  TYR  65           HE1      TYR  65   3.206   5.746  -0.443
  460    HE2  TYR  65           HE2      TYR  65   2.160   6.911  -4.409
  461    HH   TYR  65           HH       TYR  65   1.285   7.511  -1.561
  462    H    TYR  66           H        TYR  66   6.687   3.881  -6.271
  463    HA   TYR  66           HA       TYR  66   4.051   2.743  -6.182
  464   1HB   TYR  66          1HB       TYR  66   4.555   4.285  -7.977
  465   2HB   TYR  66          2HB       TYR  66   6.164   3.629  -8.200
  466    HD1  TYR  66           HD1      TYR  66   6.396   1.311  -9.268
  467    HD2  TYR  66           HD2      TYR  66   2.741   3.535  -9.299
  468    HE1  TYR  66           HE1      TYR  66   5.543  -0.104 -11.201
  469    HE2  TYR  66           HE2      TYR  66   1.901   2.113 -11.232
  470    HH   TYR  66           HH       TYR  66   2.329  -0.164 -12.108
  471    H    HIS  67           H        HIS  67   7.069   1.431  -5.626
  472    HA   HIS  67           HA       HIS  67   6.470  -1.018  -7.091
  473   1HB   HIS  67          1HB       HIS  67   8.645  -0.703  -7.578
  474   2HB   HIS  67          2HB       HIS  67   8.921   0.344  -6.200
  475    HD1  HIS  67           HD1      HIS  67   9.420  -3.114  -7.396
  476    HD2  HIS  67           HD2      HIS  67   9.448  -1.107  -3.713
  477    HE1  HIS  67           HE1      HIS  67  10.583  -4.671  -5.742
  478    H    VAL  68           H        VAL  68   6.127   0.478  -4.020
  479    HA   VAL  68           HA       VAL  68   6.087  -2.127  -2.677
  480    HB   VAL  68           HB       VAL  68   5.890  -0.539  -0.635
  481   1HG1  VAL  68          3HG1      VAL  68   7.878  -1.973  -1.469
  482   2HG1  VAL  68          1HG1      VAL  68   8.551  -0.433  -2.055
  483   3HG1  VAL  68          2HG1      VAL  68   8.207  -0.652  -0.322
  484   1HG2  VAL  68          3HG2      VAL  68   5.469   1.499  -2.020
  485   2HG2  VAL  68          1HG2      VAL  68   6.838   1.664  -0.896
  486   3HG2  VAL  68          2HG2      VAL  68   7.138   1.381  -2.627
  487    H    MET  69           H        MET  69   4.073  -0.464  -4.558
  488    HA   MET  69           HA       MET  69   1.818  -0.873  -2.748
  489   1HB   MET  69          1HB       MET  69   2.082   1.044  -5.133
  490   2HB   MET  69          2HB       MET  69   0.652   0.887  -4.131
  491   1HG   MET  69          1HG       MET  69   3.355   1.585  -2.914
  492   2HG   MET  69          2HG       MET  69   2.318   2.826  -3.588
  493   1HE   MET  69          3HE       MET  69   3.466   1.367  -0.642
  494   2HE   MET  69          1HE       MET  69   3.035   3.088  -0.494
  495   3HE   MET  69          2HE       MET  69   2.264   1.882   0.565
  496    H    HIS  70           H        HIS  70   3.470  -2.024  -5.479
  497    HA   HIS  70           HA       HIS  70   1.086  -3.490  -6.285
  498   1HB   HIS  70          1HB       HIS  70   3.003  -2.376  -8.335
  499   2HB   HIS  70          2HB       HIS  70   1.449  -3.138  -8.604
  500    HD1  HIS  70           HD1      HIS  70   2.909   0.068  -7.128
  501    HD2  HIS  70           HD2      HIS  70  -0.696  -1.405  -8.687
  502    HE1  HIS  70           HE1      HIS  70   1.338   2.071  -7.312
  503    H    ASP  71           H        ASP  71   4.628  -3.142  -7.059
  504    HA   ASP  71           HA       ASP  71   5.235  -5.558  -7.839
  505   1HB   ASP  71          1HB       ASP  71   6.680  -3.443  -6.897
  506   2HB   ASP  71          2HB       ASP  71   6.970  -4.577  -5.593
  507    H    LYS  72           H        LYS  72   5.094  -7.672  -7.033
  508    HA   LYS  72           HA       LYS  72   4.271  -7.946  -4.248
  509   1HB   LYS  72          1HB       LYS  72   4.253 -10.096  -6.371
  510   2HB   LYS  72          2HB       LYS  72   3.363 -10.052  -4.862
  511   1HG   LYS  72          1HG       LYS  72   1.635  -9.074  -5.954
  512   2HG   LYS  72          2HG       LYS  72   2.638  -7.660  -6.214
  513   1HD   LYS  72          1HD       LYS  72   1.854  -8.408  -8.386
  514   2HD   LYS  72          2HD       LYS  72   3.570  -8.753  -8.297
  515   1HE   LYS  72          1HE       LYS  72   2.457 -11.083  -7.248
  516   2HE   LYS  72          2HE       LYS  72   1.277 -10.630  -8.462
  517   1HZ   LYS  72          1HZ       LYS  72   3.118 -12.014  -9.351
  518   2HZ   LYS  72          2HZ       LYS  72   3.022 -10.581 -10.119
  519    H    ASN  73           H        ASN  73   6.916  -8.584  -6.510
  520    HA   ASN  73           HA       ASN  73   8.168 -10.484  -4.843
  521   1HB   ASN  73          1HB       ASN  73   8.811  -8.986  -7.362
  522   2HB   ASN  73          2HB       ASN  73  10.201  -9.501  -6.428
  523   1HD2  ASN  73          2HD2      ASN  73   9.818 -12.337  -8.557
  524   2HD2  ASN  73          1HD2      ASN  73  10.511 -10.754  -8.444
  525    H    THR  74           H        THR  74   7.809  -8.882  -2.872
  526    HA   THR  74           HA       THR  74  10.221  -7.214  -2.640
  527    HB   THR  74           HB       THR  74   8.759  -5.610  -1.329
  528    HG1  THR  74           HG1      THR  74   7.081  -7.155  -0.808
  529   1HG2  THR  74          2HG2      THR  74   8.609  -6.102  -4.214
  530   2HG2  THR  74          3HG2      THR  74   7.051  -5.495  -3.602
  531   3HG2  THR  74          1HG2      THR  74   8.538  -4.551  -3.344
  532    H    LYS  75           H        LYS  75  10.976  -6.899  -0.411
  533    HA   LYS  75           HA       LYS  75  11.037  -9.367   0.929
  534   1HB   LYS  75          1HB       LYS  75  12.926  -7.880   0.992
  535   2HB   LYS  75          2HB       LYS  75  11.971  -6.591   1.697
  536   1HG   LYS  75          1HG       LYS  75  11.888  -7.604   3.808
  537   2HG   LYS  75          2HG       LYS  75  12.042  -9.225   3.159
  538   1HD   LYS  75          1HD       LYS  75  14.213  -9.072   3.862
  539   2HD   LYS  75          2HD       LYS  75  14.457  -8.160   2.386
  540   1HE   LYS  75          1HE       LYS  75  14.618  -6.134   3.493
  541   2HE   LYS  75          2HE       LYS  75  13.423  -6.571   4.698
  542   1HZ   LYS  75          1HZ       LYS  75  15.074  -7.930   5.813
  543   2HZ   LYS  75          2HZ       LYS  75  16.181  -7.675   4.646
  544    H    PHE  76           H        PHE  76   8.866  -6.610   1.031
  545    HA   PHE  76           HA       PHE  76   7.569  -7.820   3.381
  546   1HB   PHE  76          1HB       PHE  76   7.759  -4.926   2.335
  547   2HB   PHE  76          2HB       PHE  76   6.782  -5.387   3.714
  548    HD1  PHE  76           HD2      PHE  76   8.132  -6.702   5.623
  549    HD2  PHE  76           HD1      PHE  76   9.886  -4.081   2.732
  550    HE1  PHE  76           HE2      PHE  76  10.131  -6.342   7.152
  551    HE2  PHE  76           HE1      PHE  76  11.879  -3.729   4.271
  552    HZ   PHE  76           HZ       PHE  76  11.919  -4.948   6.501
  553    H    LYS  77           H        LYS  77   5.209  -7.694   3.429
  554    HA   LYS  77           HA       LYS  77   4.074  -8.355   0.959
  555   1HB   LYS  77          1HB       LYS  77   3.158  -7.999   3.758
  556   2HB   LYS  77          2HB       LYS  77   1.924  -7.817   2.528
  557   1HG   LYS  77          1HG       LYS  77   2.531 -10.024   1.557
  558   2HG   LYS  77          2HG       LYS  77   3.825 -10.202   2.725
  559   1HD   LYS  77          1HD       LYS  77   1.458  -9.602   4.225
  560   2HD   LYS  77          2HD       LYS  77   0.999 -10.806   3.037
  561   1HE   LYS  77          1HE       LYS  77   2.946 -12.232   3.760
  562   2HE   LYS  77          2HE       LYS  77   3.349 -11.039   4.978
  563   1HZ   LYS  77          1HZ       LYS  77   0.798 -11.448   5.582
  564   2HZ   LYS  77          2HZ       LYS  77   1.114 -12.910   4.940
  565    H    SER  78           H        SER  78   3.268  -7.136  -0.672
  566    HA   SER  78           HA       SER  78   3.197  -4.284  -0.184
  567   1HB   SER  78          1HB       SER  78   3.887  -4.050  -2.335
  568   2HB   SER  78          2HB       SER  78   4.240  -5.765  -2.269
  569    HG   SER  78           HG       SER  78   2.936  -5.488  -4.072
  570    H    CYS  79           H        CYS  79   1.347  -3.023  -1.255
  571    HA   CYS  79           HA       CYS  79  -1.046  -3.694  -0.234
  572   1HB   CYS  79          1HB       CYS  79  -0.627  -2.197  -2.829
  573   2HB   CYS  79          2HB       CYS  79  -2.057  -2.136  -1.818
  574    H    VAL  80           H        VAL  80  -0.173  -4.076  -3.756
  575    HA   VAL  80           HA       VAL  80  -2.366  -5.730  -4.312
  576    HB   VAL  80           HB       VAL  80   0.269  -5.264  -5.714
  577   1HG1  VAL  80          3HG1      VAL  80  -2.046  -7.024  -6.409
  578   2HG1  VAL  80          1HG1      VAL  80  -1.275  -6.098  -7.719
  579   3HG1  VAL  80          2HG1      VAL  80  -0.309  -7.229  -6.740
  580   1HG2  VAL  80          2HG2      VAL  80  -1.519  -3.392  -5.346
  581   2HG2  VAL  80          3HG2      VAL  80  -0.792  -3.613  -6.956
  582   3HG2  VAL  80          1HG2      VAL  80  -2.418  -4.254  -6.619
  583    H    GLY  81           H        GLY  81   1.122  -6.441  -3.630
  584   1HA   GLY  81          1HA       GLY  81   1.299  -9.089  -3.994
  585   2HA   GLY  81          2HA       GLY  81   2.021  -8.266  -2.626
  586    H    CYS  82           H        CYS  82   0.097  -7.610  -0.888
  587    HA   CYS  82           HA       CYS  82  -0.652 -10.058   0.207
  588   1HB   CYS  82          1HB       CYS  82  -0.248  -7.967   1.502
  589   2HB   CYS  82          2HB       CYS  82  -1.742  -7.302   0.871
  590    H    HIS  83           H        HIS  83  -2.475  -7.475  -1.573
  591    HA   HIS  83           HA       HIS  83  -4.983  -8.542  -1.384
  592   1HB   HIS  83          1HB       HIS  83  -3.600  -6.861  -3.461
  593   2HB   HIS  83          2HB       HIS  83  -5.248  -7.398  -3.721
  594    HD1  HIS  83           HD1      HIS  83  -6.080  -4.911  -3.574
  595    HD2  HIS  83           HD2      HIS  83  -4.300  -6.372  -0.068
  596    HE1  HIS  83           HE1      HIS  83  -6.662  -3.247  -1.729
  597    H    VAL  84           H        VAL  84  -2.338  -9.320  -3.711
  598    HA   VAL  84           HA       VAL  84  -3.780 -10.986  -5.376
  599    HB   VAL  84           HB       VAL  84  -0.887 -10.959  -4.516
  600   1HG1  VAL  84          2HG1      VAL  84  -2.251 -13.057  -5.873
  601   2HG1  VAL  84          3HG1      VAL  84  -1.241 -12.213  -7.070
  602   3HG1  VAL  84          1HG1      VAL  84  -0.503 -12.873  -5.591
  603   1HG2  VAL  84          3HG2      VAL  84  -1.895  -8.989  -5.773
  604   2HG2  VAL  84          1HG2      VAL  84  -0.471  -9.754  -6.519
  605   3HG2  VAL  84          2HG2      VAL  84  -2.099 -10.094  -7.153
  606    H    GLU  85           H        GLU  85  -2.251 -11.590  -2.182
  607    HA   GLU  85           HA       GLU  85  -2.759 -14.369  -2.316
  608   1HB   GLU  85          1HB       GLU  85  -1.559 -12.449  -0.408
  609   2HB   GLU  85          2HB       GLU  85  -2.398 -13.772   0.377
  610   1HG   GLU  85          1HG       GLU  85  -0.863 -14.837  -1.842
  611   2HG   GLU  85          2HG       GLU  85   0.184 -13.816  -0.877
  612    H    VAL  86           H        VAL  86  -4.458 -11.478  -1.099
  613    HA   VAL  86           HA       VAL  86  -6.366 -12.935   0.421
  614    HB   VAL  86           HB       VAL  86  -6.337 -10.119  -0.680
  615   1HG1  VAL  86          1HG1      VAL  86  -8.631 -11.066  -0.137
  616   2HG1  VAL  86          2HG1      VAL  86  -8.088 -11.178   1.555
  617   3HG1  VAL  86          3HG1      VAL  86  -8.165  -9.593   0.748
  618   1HG2  VAL  86          2HG2      VAL  86  -4.629 -11.116   1.147
  619   2HG2  VAL  86          3HG2      VAL  86  -5.238  -9.444   1.196
  620   3HG2  VAL  86          1HG2      VAL  86  -5.985 -10.693   2.220
  621    H    ALA  87           H        ALA  87  -6.391 -11.325  -2.833
  622    HA   ALA  87           HA       ALA  87  -9.005 -12.143  -3.452
  623   1HB   ALA  87          2HB       ALA  87  -6.776 -10.732  -4.683
  624   2HB   ALA  87          3HB       ALA  87  -7.564 -11.820  -5.851
  625   3HB   ALA  87          1HB       ALA  87  -8.522 -10.585  -5.000
  626    H    GLY  88           H        GLY  88  -5.868 -13.755  -3.490
  627   1HA   GLY  88          1HA       GLY  88  -5.198 -15.744  -4.365
  628   2HA   GLY  88          2HA       GLY  88  -6.647 -16.301  -3.552
  629    H    ALA  89           H        ALA  89  -7.964 -17.526  -4.818
  630    HA   ALA  89           HA       ALA  89  -7.788 -17.158  -7.704
  631   1HB   ALA  89          3HB       ALA  89  -8.448 -19.358  -5.816
  632   2HB   ALA  89          1HB       ALA  89  -9.406 -19.318  -7.316
  633   3HB   ALA  89          2HB       ALA  89  -7.630 -19.412  -7.395
  634    H    ASP  90           H        ASP  90  -8.921 -14.979  -7.327
  635    HA   ASP  90           HA       ASP  90 -11.717 -15.464  -7.747
  636   1HB   ASP  90          1HB       ASP  90 -11.365 -15.043  -5.242
  637   2HB   ASP  90          2HB       ASP  90 -10.790 -13.441  -5.658
  638    H    ALA  91           H        ALA  91 -11.484 -14.591  -9.873
  639    HA   ALA  91           HA       ALA  91  -9.866 -12.524 -10.637
  640   1HB   ALA  91          1HB       ALA  91 -12.122 -14.032 -11.680
  641   2HB   ALA  91          2HB       ALA  91 -12.209 -12.331 -12.197
  642   3HB   ALA  91          3HB       ALA  91 -10.756 -13.296 -12.552
  643    H    ALA  92           H        ALA  92 -13.374 -12.329  -9.692
  644    HA   ALA  92           HA       ALA  92 -13.836  -9.710  -9.934
  645   1HB   ALA  92          3HB       ALA  92 -14.740 -11.877  -8.143
  646   2HB   ALA  92          1HB       ALA  92 -14.992 -10.243  -7.484
  647   3HB   ALA  92          2HB       ALA  92 -15.688 -10.683  -9.062
  648    H    LYS  93           H        LYS  93 -12.456 -11.176  -6.899
  649    HA   LYS  93           HA       LYS  93 -11.815  -8.673  -5.798
  650   1HB   LYS  93          1HB       LYS  93 -10.955 -11.506  -5.180
  651   2HB   LYS  93          2HB       LYS  93 -10.375 -10.131  -4.262
  652   1HG   LYS  93          1HG       LYS  93 -12.723  -9.476  -3.733
  653   2HG   LYS  93          2HG       LYS  93 -13.322 -10.822  -4.681
  654   1HD   LYS  93          1HD       LYS  93 -11.320 -11.468  -2.533
  655   2HD   LYS  93          2HD       LYS  93 -12.917 -10.981  -2.001
  656   1HE   LYS  93          1HE       LYS  93 -13.710 -12.743  -3.869
  657   2HE   LYS  93          2HE       LYS  93 -12.110 -13.407  -3.606
  658   1HZ   LYS  93          1HZ       LYS  93 -14.252 -13.078  -1.588
  659   2HZ   LYS  93          2HZ       LYS  93 -13.520 -14.460  -2.042
  660    H    LYS  94           H        LYS  94 -10.070 -10.982  -7.905
  661    HA   LYS  94           HA       LYS  94  -7.549  -9.773  -7.629
  662   1HB   LYS  94          1HB       LYS  94  -8.280 -12.095  -8.593
  663   2HB   LYS  94          2HB       LYS  94  -8.435 -11.230 -10.109
  664   1HG   LYS  94          1HG       LYS  94  -6.200 -11.574 -10.370
  665   2HG   LYS  94          2HG       LYS  94  -5.977 -10.314  -9.173
  666   1HD   LYS  94          1HD       LYS  94  -5.015 -11.831  -7.794
  667   2HD   LYS  94          2HD       LYS  94  -6.548 -12.674  -7.686
  668   1HE   LYS  94          1HE       LYS  94  -4.640 -13.129 -10.017
  669   2HE   LYS  94          2HE       LYS  94  -4.494 -14.031  -8.522
  670   1HZ   LYS  94          1HZ       LYS  94  -5.906 -15.323  -9.860
  671   2HZ   LYS  94          2HZ       LYS  94  -6.966 -14.564  -8.884
  672    H    LYS  95           H        LYS  95 -10.460  -8.592  -8.932
  673    HA   LYS  95           HA       LYS  95  -8.951  -6.708 -10.608
  674   1HB   LYS  95          1HB       LYS  95 -10.898  -8.455 -11.468
  675   2HB   LYS  95          2HB       LYS  95 -11.826  -6.999 -11.173
  676   1HG   LYS  95          1HG       LYS  95 -10.587  -5.724 -12.738
  677   2HG   LYS  95          2HG       LYS  95  -9.200  -6.793 -12.667
  678   1HD   LYS  95          1HD       LYS  95 -11.474  -8.343 -13.553
  679   2HD   LYS  95          2HD       LYS  95 -11.419  -6.873 -14.505
  680   1HE   LYS  95          1HE       LYS  95  -8.740  -8.061 -14.141
  681   2HE   LYS  95          2HE       LYS  95  -9.854  -9.170 -14.916
  682   1HZ   LYS  95          1HZ       LYS  95  -8.659  -7.612 -16.463
  683   2HZ   LYS  95          2HZ       LYS  95 -10.279  -7.571 -16.627
  684    H    ASP  96           H        ASP  96 -10.601  -7.192  -7.700
  685    HA   ASP  96           HA       ASP  96 -11.412  -4.392  -7.671
  686   1HB   ASP  96          1HB       ASP  96 -12.680  -6.853  -6.725
  687   2HB   ASP  96          2HB       ASP  96 -12.467  -5.736  -5.391
  688    H    LEU  97           H        LEU  97  -9.002  -6.559  -6.770
  689    HA   LEU  97           HA       LEU  97  -8.342  -4.973  -4.388
  690   1HB   LEU  97          1HB       LEU  97  -8.046  -7.943  -4.829
  691   2HB   LEU  97          2HB       LEU  97  -7.204  -7.070  -3.564
  692    HG   LEU  97           HG       LEU  97 -10.177  -7.516  -3.859
  693   1HD1  LEU  97          3HD1      LEU  97  -8.637  -9.247  -2.793
  694   2HD1  LEU  97          1HD1      LEU  97  -8.417  -8.076  -1.470
  695   3HD1  LEU  97          2HD1      LEU  97 -10.039  -8.710  -1.838
  696   1HD2  LEU  97          3HD2      LEU  97  -8.730  -5.405  -2.305
  697   2HD2  LEU  97          1HD2      LEU  97 -10.285  -5.332  -3.168
  698   3HD2  LEU  97          2HD2      LEU  97 -10.176  -6.167  -1.599
  699    H    THR  98           H        THR  98  -7.125  -7.022  -7.112
  700    HA   THR  98           HA       THR  98  -4.655  -5.417  -7.022
  701    HB   THR  98           HB       THR  98  -3.499  -7.388  -7.762
  702    HG1  THR  98           HG1      THR  98  -6.234  -8.361  -8.207
  703   1HG2  THR  98          2HG2      THR  98  -5.802  -8.338  -5.976
  704   2HG2  THR  98          3HG2      THR  98  -4.326  -9.275  -6.313
  705   3HG2  THR  98          1HG2      THR  98  -4.221  -7.744  -5.411
  706    H    GLY  99           H        GLY  99  -7.466  -5.067  -8.374
  707   1HA   GLY  99          1HA       GLY  99  -7.178  -5.354 -11.131
  708   2HA   GLY  99          2HA       GLY  99  -8.214  -4.205 -10.308
  709    H    CYS 100           H        CYS 100  -6.960  -3.540 -12.745
  710    HA   CYS 100           HA       CYS 100  -4.752  -1.819 -11.908
  711   1HB   CYS 100          1HB       CYS 100  -5.437  -3.232 -14.414
  712   2HB   CYS 100          2HB       CYS 100  -4.808  -1.609 -14.617
  713    H    LYS 101           H        LYS 101  -7.951  -1.977 -13.565
  714    HA   LYS 101           HA       LYS 101  -8.270   0.867 -12.994
  715   1HB   LYS 101          1HB       LYS 101  -7.489   0.682 -15.335
  716   2HB   LYS 101          2HB       LYS 101  -8.832  -0.381 -15.701
  717   1HG   LYS 101          1HG       LYS 101 -10.282   1.614 -14.656
  718   2HG   LYS 101          2HG       LYS 101  -8.870   2.571 -15.056
  719   1HD   LYS 101          1HD       LYS 101  -9.253   1.046 -17.371
  720   2HD   LYS 101          2HD       LYS 101 -10.894   1.370 -16.849
  721   1HE   LYS 101          1HE       LYS 101 -10.577   3.333 -18.013
  722   2HE   LYS 101          2HE       LYS 101  -9.854   3.861 -16.506
  723   1HZ   LYS 101          1HZ       LYS 101  -8.585   3.611 -18.978
  724   2HZ   LYS 101          2HZ       LYS 101  -7.902   4.056 -17.568
  725    H    LYS 102           H        LYS 102 -10.360   1.439 -12.377
  726    HA   LYS 102           HA       LYS 102 -12.444   1.168 -11.697
  727   1HB   LYS 102          1HB       LYS 102 -12.306  -0.789 -13.931
  728   2HB   LYS 102          2HB       LYS 102 -13.631  -0.996 -12.803
  729   1HG   LYS 102          1HG       LYS 102 -13.696   1.738 -13.166
  730   2HG   LYS 102          2HG       LYS 102 -13.113   1.218 -14.735
  731   1HD   LYS 102          1HD       LYS 102 -15.164   0.445 -15.328
  732   2HD   LYS 102          2HD       LYS 102 -15.283  -0.527 -13.874
  733   1HE   LYS 102          1HE       LYS 102 -15.968   1.556 -12.597
  734   2HE   LYS 102          2HE       LYS 102 -15.959   2.445 -14.107
  735   1HZ   LYS 102          1HZ       LYS 102 -17.924   1.527 -14.693
  736   2HZ   LYS 102          2HZ       LYS 102 -17.497   0.017 -14.259
  737    H    SER 103           H        SER 103 -10.285   0.235 -10.125
  738    HA   SER 103           HA       SER 103 -11.446  -2.174  -8.966
  739   1HB   SER 103          1HB       SER 103  -8.953  -1.869  -7.776
  740   2HB   SER 103          2HB       SER 103  -9.317  -2.938  -9.117
  741    HG   SER 103           HG       SER 103  -8.382  -0.201  -9.322
  742    H    LYS 104           H        LYS 104 -10.343  -2.085  -6.400
  743    HA   LYS 104           HA       LYS 104 -11.968  -0.068  -5.206
  744   1HB   LYS 104          1HB       LYS 104 -10.092  -2.135  -4.021
  745   2HB   LYS 104          2HB       LYS 104 -11.141  -1.091  -3.083
  746   1HG   LYS 104          1HG       LYS 104 -12.230  -2.862  -5.308
  747   2HG   LYS 104          2HG       LYS 104 -12.028  -3.462  -3.674
  748   1HD   LYS 104          1HD       LYS 104 -13.342  -1.055  -3.227
  749   2HD   LYS 104          2HD       LYS 104 -14.040  -1.559  -4.753
  750   1HE   LYS 104          1HE       LYS 104 -13.799  -3.703  -2.677
  751   2HE   LYS 104          2HE       LYS 104 -14.937  -2.423  -2.310
  752   1HZ   LYS 104          1HZ       LYS 104 -14.948  -4.117  -4.748
  753   2HZ   LYS 104          2HZ       LYS 104 -16.070  -4.109  -3.568
  754    H    CYS 105           H        CYS 105  -8.554  -0.475  -6.059
  755    HA   CYS 105           HA       CYS 105  -7.755   1.717  -4.381
  756   1HB   CYS 105          1HB       CYS 105  -6.166   0.193  -6.472
  757   2HB   CYS 105          2HB       CYS 105  -5.516   1.329  -5.308
  758    H    HIS 106           H        HIS 106  -7.547   0.984  -7.950
  759    HA   HIS 106           HA       HIS 106  -7.665   3.848  -8.437
  760   1HB   HIS 106          1HB       HIS 106  -6.979   1.522 -10.254
  761   2HB   HIS 106          2HB       HIS 106  -7.005   3.201 -10.755
  762    HD1  HIS 106           HD1      HIS 106  -5.410   4.751  -8.862
  763    HD2  HIS 106           HD2      HIS 106  -4.426   0.763  -9.714
  764    HE1  HIS 106           HE1      HIS 106  -2.954   4.470  -8.233
  765    H    GLU 107           H        GLU 107  -9.507   4.837  -9.112
  766    HA   GLU 107           HA       GLU 107 -11.608   3.055 -10.073
  767   1HB   GLU 107          1HB       GLU 107 -11.676   5.479  -8.276
  768   2HB   GLU 107          2HB       GLU 107 -13.077   5.130  -9.269
  769   1HG   GLU 107          1HG       GLU 107 -12.066   2.705  -7.943
  770   2HG   GLU 107          2HG       GLU 107 -12.449   3.959  -6.781
  771    HHA  HEC 108           HHA      HEC 108  -0.905   6.721   7.365
  772    HHB  HEC 108           HHB      HEC 108  -1.607   4.122  13.185
  773    HHC  HEC 108           HHC      HEC 108  -2.584  -1.618  10.507
  774    HHD  HEC 108           HHD      HEC 108  -1.091   0.884   4.722
  775   1HMA  HEC 108          1HMA      HEC 108  -1.761   7.668  12.596
  776   2HMA  HEC 108          2HMA      HEC 108  -1.541   6.100  13.410
  777   3HMA  HEC 108          3HMA      HEC 108  -0.121   7.039  12.890
  778   1HAA  HEC 108          1HAA      HEC 108  -0.364   8.112   8.714
  779   2HAA  HEC 108          2HAA      HEC 108  -1.618   8.634   9.864
  780   1HBA  HEC 108          1HBA      HEC 108   0.936   7.920  11.128
  781   2HBA  HEC 108          2HBA      HEC 108   1.031   9.289   9.993
  782   1HMB  HEC 108          1HMB      HEC 108  -2.360   1.012  15.105
  783   2HMB  HEC 108          2HMB      HEC 108  -1.771   2.649  14.730
  784   3HMB  HEC 108          3HMB      HEC 108  -3.510   2.286  14.635
  785    HAB  HEC 108           HAB      HEC 108  -3.188  -1.738  12.390
  786   1HBB  HEC 108          1HBB      HEC 108  -3.977  -1.124  15.039
  787   2HBB  HEC 108          2HBB      HEC 108  -4.553   0.196  13.994
  788   3HBB  HEC 108          3HBB      HEC 108  -5.002  -1.487  13.630
  789   1HMC  HEC 108          1HMC      HEC 108  -3.498  -3.223   7.622
  790   2HMC  HEC 108          2HMC      HEC 108  -1.768  -3.641   7.620
  791   3HMC  HEC 108          3HMC      HEC 108  -2.555  -3.114   9.127
  792    HAC  HEC 108           HAC      HEC 108  -1.932  -1.015   4.401
  793   1HBC  HEC 108          1HBC      HEC 108  -2.313  -3.798   5.382
  794   2HBC  HEC 108          2HBC      HEC 108  -3.656  -2.650   5.604
  795   3HBC  HEC 108          3HBC      HEC 108  -3.013  -2.963   3.974
  796   1HMD  HEC 108          1HMD      HEC 108   0.196   3.961   2.968
  797   2HMD  HEC 108          2HMD      HEC 108   0.116   2.239   3.413
  798   3HMD  HEC 108          3HMD      HEC 108  -1.361   3.098   2.912
  799   1HAD  HEC 108          1HAD      HEC 108  -0.621   6.926   5.364
  800   2HAD  HEC 108          2HAD      HEC 108   0.845   6.174   4.691
  801   1HBD  HEC 108          1HBD      HEC 108  -1.439   5.400   3.126
  802   2HBD  HEC 108          2HBD      HEC 108  -1.393   7.170   3.306
  803    HHA  HEC 109           HHA      HEC 109  11.625  -2.332   1.657
  804    HHB  HEC 109           HHB      HEC 109   5.266  -1.560   1.369
  805    HHC  HEC 109           HHC      HEC 109   5.680   3.366   5.449
  806    HHD  HEC 109           HHD      HEC 109  12.139   3.218   4.826
  807   1HMA  HEC 109          1HMA      HEC 109   7.221  -4.236  -0.507
  808   2HMA  HEC 109          2HMA      HEC 109   6.159  -4.170   0.920
  809   3HMA  HEC 109          3HMA      HEC 109   6.004  -2.944  -0.361
  810   1HAA  HEC 109          1HAA      HEC 109  10.860  -3.951   0.738
  811   2HAA  HEC 109          2HAA      HEC 109   9.386  -4.863   0.333
  812   1HBA  HEC 109          1HBA      HEC 109   9.180  -3.557  -1.751
  813   2HBA  HEC 109          2HBA      HEC 109  10.697  -2.716  -1.350
  814   1HMB  HEC 109          1HMB      HEC 109   3.345  -0.717   1.607
  815   2HMB  HEC 109          2HMB      HEC 109   2.909  -1.148   3.277
  816   3HMB  HEC 109          3HMB      HEC 109   2.343   0.388   2.579
  817    HAB  HEC 109           HAB      HEC 109   3.772   2.812   5.380
  818   1HBB  HEC 109          1HBB      HEC 109   1.592   0.965   4.482
  819   2HBB  HEC 109          2HBB      HEC 109   2.786   0.405   5.677
  820   3HBB  HEC 109          3HBB      HEC 109   1.791   1.841   6.018
  821   1HMC  HEC 109          1HMC      HEC 109   7.759   5.096   7.661
  822   2HMC  HEC 109          2HMC      HEC 109   7.792   6.168   6.240
  823   3HMC  HEC 109          3HMC      HEC 109   6.486   4.972   6.423
  824    HAC  HEC 109           HAC      HEC 109  11.723   4.757   5.959
  825   1HBC  HEC 109          1HBC      HEC 109  11.134   4.285   8.209
  826   2HBC  HEC 109          2HBC      HEC 109  11.314   6.051   8.078
  827   3HBC  HEC 109          3HBC      HEC 109   9.691   5.323   8.123
  828   1HMD  HEC 109          1HMD      HEC 109  14.947   1.632   3.149
  829   2HMD  HEC 109          2HMD      HEC 109  13.981   2.718   4.177
  830   3HMD  HEC 109          3HMD      HEC 109  14.622   1.197   4.844
  831   1HAD  HEC 109          1HAD      HEC 109  13.592  -2.054   2.130
  832   2HAD  HEC 109          2HAD      HEC 109  14.311  -0.630   1.340
  833   1HBD  HEC 109          1HBD      HEC 109  14.905  -0.795   4.205
  834   2HBD  HEC 109          2HBD      HEC 109  15.504  -2.180   3.262
  835    HHA  HEC 110           HHA      HEC 110 -10.232  -4.791   0.913
  836    HHB  HEC 110           HHB      HEC 110  -6.470   0.090  -0.854
  837    HHC  HEC 110           HHC      HEC 110  -1.465  -2.772   1.947
  838    HHD  HEC 110           HHD      HEC 110  -5.124  -7.891   3.235
  839   1HMA  HEC 110          1HMA      HEC 110  -8.372   0.624  -1.204
  840   2HMA  HEC 110          2HMA      HEC 110  -9.309  -0.348  -2.364
  841   3HMA  HEC 110          3HMA      HEC 110 -10.087   0.269  -0.887
  842   1HAA  HEC 110          1HAA      HEC 110 -11.300  -2.120  -1.400
  843   2HAA  HEC 110          2HAA      HEC 110 -11.281  -3.628  -0.454
  844   1HBA  HEC 110          1HBA      HEC 110 -11.264  -1.438   1.372
  845   2HBA  HEC 110          2HBA      HEC 110 -12.537  -1.156   0.160
  846   1HMB  HEC 110          1HMB      HEC 110  -3.042   1.129  -1.445
  847   2HMB  HEC 110          2HMB      HEC 110  -4.821   1.102  -1.406
  848   3HMB  HEC 110          3HMB      HEC 110  -3.913   1.843  -0.067
  849    HAB  HEC 110           HAB      HEC 110  -0.840  -1.014   1.247
  850   1HBB  HEC 110          1HBB      HEC 110  -1.047   1.649   0.050
  851   2HBB  HEC 110          2HBB      HEC 110  -2.176   1.382   1.400
  852   3HBB  HEC 110          3HBB      HEC 110  -0.428   1.142   1.640
  853   1HMC  HEC 110          1HMC      HEC 110  -0.316  -5.126   3.822
  854   2HMC  HEC 110          2HMC      HEC 110  -0.059  -6.173   2.406
  855   3HMC  HEC 110          3HMC      HEC 110  -0.192  -4.411   2.197
  856    HAC  HEC 110           HAC      HEC 110  -3.180  -8.046   4.293
  857   1HBC  HEC 110          1HBC      HEC 110  -0.263  -7.726   3.651
  858   2HBC  HEC 110          2HBC      HEC 110  -1.043  -6.711   4.888
  859   3HBC  HEC 110          3HBC      HEC 110  -1.041  -8.483   5.062
  860   1HMD  HEC 110          1HMD      HEC 110  -7.562  -9.523   2.683
  861   2HMD  HEC 110          2HMD      HEC 110  -6.895  -8.726   4.128
  862   3HMD  HEC 110          3HMD      HEC 110  -8.657  -8.881   3.930
  863   1HAD  HEC 110          1HAD      HEC 110 -10.341  -8.143   2.757
  864   2HAD  HEC 110          2HAD      HEC 110 -10.854  -6.439   2.769
  865   1HBD  HEC 110          1HBD      HEC 110 -11.591  -6.551   0.673
  866   2HBD  HEC 110          2HBD      HEC 110 -10.112  -7.359   0.101
  867    HHA  HEC 111           HHA      HEC 111   0.473   5.421  -7.638
  868    HHB  HEC 111           HHB      HEC 111  -0.582   1.929 -12.911
  869    HHC  HEC 111           HHC      HEC 111  -3.339  -2.640  -9.364
  870    HHD  HEC 111           HHD      HEC 111  -3.068   1.310  -4.225
  871   1HMA  HEC 111          1HMA      HEC 111   0.675   5.333 -13.001
  872   2HMA  HEC 111          2HMA      HEC 111   1.890   4.038 -12.881
  873   3HMA  HEC 111          3HMA      HEC 111   0.255   3.672 -13.481
  874   1HAA  HEC 111          1HAA      HEC 111   0.717   6.819 -10.680
  875   2HAA  HEC 111          2HAA      HEC 111   1.388   6.321  -9.109
  876   1HBA  HEC 111          1HBA      HEC 111   3.396   5.638 -10.036
  877   2HBA  HEC 111          2HBA      HEC 111   2.701   5.439 -11.662
  878   1HMB  HEC 111          1HMB      HEC 111  -0.705  -1.668 -13.916
  879   2HMB  HEC 111          2HMB      HEC 111  -1.889  -0.420 -14.373
  880   3HMB  HEC 111          3HMB      HEC 111  -0.245   0.052 -13.879
  881    HAB  HEC 111           HAB      HEC 111  -3.420  -3.202 -11.424
  882   1HBB  HEC 111          1HBB      HEC 111  -1.682  -4.856 -12.263
  883   2HBB  HEC 111          2HBB      HEC 111  -0.481  -3.570 -11.993
  884   3HBB  HEC 111          3HBB      HEC 111  -1.441  -4.191 -10.629
  885   1HMC  HEC 111          1HMC      HEC 111  -4.527  -3.389  -7.887
  886   2HMC  HEC 111          2HMC      HEC 111  -4.269  -3.683  -6.151
  887   3HMC  HEC 111          3HMC      HEC 111  -5.723  -2.816  -6.700
  888    HAC  HEC 111           HAC      HEC 111  -3.933  -0.399  -3.625
  889   1HBC  HEC 111          1HBC      HEC 111  -4.214  -2.455  -2.705
  890   2HBC  HEC 111          2HBC      HEC 111  -5.130  -3.083  -4.095
  891   3HBC  HEC 111          3HBC      HEC 111  -3.359  -2.933  -4.191
  892   1HMD  HEC 111          1HMD      HEC 111  -2.612   2.928  -3.021
  893   2HMD  HEC 111          2HMD      HEC 111  -0.862   2.921  -2.695
  894   3HMD  HEC 111          3HMD      HEC 111  -1.727   4.466  -2.878
  895   1HAD  HEC 111          1HAD      HEC 111   0.591   5.277  -4.011
  896   2HAD  HEC 111          2HAD      HEC 111   0.769   5.840  -5.691
  897   1HBD  HEC 111          1HBD      HEC 111  -1.627   6.765  -5.402
  898   2HBD  HEC 111          2HBD      HEC 111  -1.327   6.555  -3.660
   
  No H/Q in entry =         898
  Start of MODEL    7
    1   1H    ALA   1          1H        ALA   1  -1.068   1.219  22.580
    2   2H    ALA   1          2H        ALA   1   0.100   1.983  23.472
    3    HA   ALA   1           HA       ALA   1   0.490   3.572  21.973
    4   1HB   ALA   1          3HB       ALA   1   0.227   0.832  21.025
    5   2HB   ALA   1          1HB       ALA   1  -0.008   1.990  19.694
    6   3HB   ALA   1          2HB       ALA   1   1.485   2.038  20.663
    7    HA   PRO   2           HA       PRO   2  -2.833   5.524  20.001
    8   1HB   PRO   2          1HB       PRO   2  -1.832   6.465  17.640
    9   2HB   PRO   2          2HB       PRO   2  -1.530   7.237  19.184
   10   1HG   PRO   2          1HG       PRO   2   0.294   5.578  17.553
   11   2HG   PRO   2          2HG       PRO   2   0.685   6.688  18.852
   12   1HD   PRO   2          1HD       PRO   2   0.620   3.824  19.003
   13   2HD   PRO   2          2HD       PRO   2   0.897   4.937  20.328
   14    H    LYS   3           H        LYS   3  -4.698   5.286  18.807
   15    HA   LYS   3           HA       LYS   3  -4.799   2.746  17.478
   16   1HB   LYS   3          1HB       LYS   3  -6.839   4.881  18.125
   17   2HB   LYS   3          2HB       LYS   3  -7.234   3.487  17.141
   18   1HG   LYS   3          1HG       LYS   3  -6.416   1.982  18.995
   19   2HG   LYS   3          2HG       LYS   3  -6.109   3.398  19.981
   20   1HD   LYS   3          1HD       LYS   3  -8.252   3.188  20.715
   21   2HD   LYS   3          2HD       LYS   3  -8.739   3.819  19.154
   22   1HE   LYS   3          1HE       LYS   3  -8.287   1.128  18.578
   23   2HE   LYS   3          2HE       LYS   3  -8.924   1.051  20.209
   24   1HZ   LYS   3          1HZ       LYS   3 -10.896   2.148  19.527
   25   2HZ   LYS   3          2HZ       LYS   3 -10.270   2.649  18.109
   26    H    ALA   4           H        ALA   4  -6.290   2.872  15.301
   27    HA   ALA   4           HA       ALA   4  -4.555   3.954  13.374
   28   1HB   ALA   4          2HB       ALA   4  -6.961   2.311  13.519
   29   2HB   ALA   4          3HB       ALA   4  -7.034   3.449  12.153
   30   3HB   ALA   4          1HB       ALA   4  -5.666   2.320  12.297
   31    HA   PRO   5           HA       PRO   5  -6.135   7.956  12.936
   32   1HB   PRO   5          1HB       PRO   5  -5.479   8.535  10.347
   33   2HB   PRO   5          2HB       PRO   5  -4.330   8.615  11.667
   34   1HG   PRO   5          1HG       PRO   5  -4.586   6.564   9.554
   35   2HG   PRO   5          2HG       PRO   5  -3.222   6.895  10.603
   36   1HD   PRO   5          1HD       PRO   5  -5.092   4.735  10.851
   37   2HD   PRO   5          2HD       PRO   5  -3.799   5.134  11.963
   38    H    ALA   6           H        ALA   6  -7.523   9.479  11.503
   39    HA   ALA   6           HA       ALA   6 -10.039   8.340  11.421
   40   1HB   ALA   6          1HB       ALA   6  -8.990  10.851  11.236
   41   2HB   ALA   6          2HB       ALA   6  -9.487  10.582   9.548
   42   3HB   ALA   6          3HB       ALA   6 -10.684  10.453  10.859
   43    H    ASP   7           H        ASP   7 -11.458   7.992   9.483
   44    HA   ASP   7           HA       ASP   7 -10.070   6.287   7.686
   45   1HB   ASP   7          1HB       ASP   7 -12.296   5.745   6.832
   46   2HB   ASP   7          2HB       ASP   7 -12.351   5.779   8.583
   47    H    GLY   8           H        GLY   8 -10.890   6.512   5.193
   48   1HA   GLY   8          1HA       GLY   8 -11.055   7.735   3.299
   49   2HA   GLY   8          2HA       GLY   8 -11.418   9.159   4.255
   50    H    LEU   9           H        LEU   9  -8.515   7.172   4.864
   51    HA   LEU   9           HA       LEU   9  -6.862   9.467   4.487
   52   1HB   LEU   9          1HB       LEU   9  -6.295   8.055   6.263
   53   2HB   LEU   9          2HB       LEU   9  -6.414   6.606   5.284
   54    HG   LEU   9           HG       LEU   9  -4.085   7.717   6.004
   55   1HD1  LEU   9          3HD1      LEU   9  -4.684   5.561   4.685
   56   2HD1  LEU   9          1HD1      LEU   9  -4.251   6.523   3.251
   57   3HD1  LEU   9          2HD1      LEU   9  -3.051   6.253   4.538
   58   1HD2  LEU   9          3HD2      LEU   9  -4.879   9.751   4.505
   59   2HD2  LEU   9          1HD2      LEU   9  -3.173   9.248   4.578
   60   3HD2  LEU   9          2HD2      LEU   9  -4.189   8.750   3.205
   61    H    LYS  10           H        LYS  10  -6.775  10.186   2.382
   62    HA   LYS  10           HA       LYS  10  -6.148   8.174   0.350
   63   1HB   LYS  10          1HB       LYS  10  -8.097   9.422  -0.210
   64   2HB   LYS  10          2HB       LYS  10  -7.340  10.948   0.201
   65   1HG   LYS  10          1HG       LYS  10  -5.618  10.460  -1.652
   66   2HG   LYS  10          2HG       LYS  10  -6.637   9.120  -2.137
   67   1HD   LYS  10          1HD       LYS  10  -7.843  10.581  -3.384
   68   2HD   LYS  10          2HD       LYS  10  -8.432  11.283  -1.890
   69   1HE   LYS  10          1HE       LYS  10  -5.902  12.441  -2.131
   70   2HE   LYS  10          2HE       LYS  10  -6.424  12.335  -3.801
   71   1HZ   LYS  10          1HZ       LYS  10  -8.297  13.662  -3.350
   72   2HZ   LYS  10          2HZ       LYS  10  -8.239  13.428  -1.740
   73    H    MET  11           H        MET  11  -4.287   8.333  -0.939
   74    HA   MET  11           HA       MET  11  -2.412  10.377  -0.026
   75   1HB   MET  11          1HB       MET  11  -0.613   8.637  -0.415
   76   2HB   MET  11          2HB       MET  11  -1.744   8.155   0.834
   77   1HG   MET  11          1HG       MET  11  -2.867   7.225  -1.621
   78   2HG   MET  11          2HG       MET  11  -1.158   6.845  -1.708
   79   1HE   MET  11          2HE       MET  11   0.158   5.792  -0.052
   80   2HE   MET  11          3HE       MET  11  -0.391   4.509   1.052
   81   3HE   MET  11          1HE       MET  11  -0.500   4.275  -0.709
   82    H    GLU  12           H        GLU  12  -2.232  11.838  -1.679
   83    HA   GLU  12           HA       GLU  12  -2.235  10.739  -4.374
   84   1HB   GLU  12          1HB       GLU  12  -3.945  12.515  -3.723
   85   2HB   GLU  12          2HB       GLU  12  -2.618  13.645  -3.540
   86   1HG   GLU  12          1HG       GLU  12  -2.825  12.082  -6.118
   87   2HG   GLU  12          2HG       GLU  12  -3.934  13.415  -5.863
   88    H    ALA  13           H        ALA  13   0.084  10.045  -3.704
   89    HA   ALA  13           HA       ALA  13   1.957  12.274  -3.764
   90   1HB   ALA  13          1HB       ALA  13   1.851   9.709  -2.520
   91   2HB   ALA  13          2HB       ALA  13   3.202   9.677  -3.680
   92   3HB   ALA  13          3HB       ALA  13   3.144  10.929  -2.415
   93    H    THR  14           H        THR  14   0.326  10.125  -5.887
   94    HA   THR  14           HA       THR  14   2.286  10.756  -7.982
   95    HB   THR  14           HB       THR  14   1.948   8.425  -8.851
   96    HG1  THR  14           HG1      THR  14  -0.212   8.505  -7.492
   97   1HG2  THR  14          2HG2      THR  14   3.273   9.079  -6.330
   98   2HG2  THR  14          3HG2      THR  14   2.586   7.439  -6.249
   99   3HG2  THR  14          1HG2      THR  14   3.734   7.860  -7.542
  100    H    LYS  15           H        LYS  15   1.159  10.061 -10.226
  101    HA   LYS  15           HA       LYS  15  -0.974  11.868 -10.475
  102   1HB   LYS  15          1HB       LYS  15   0.720  11.280 -12.231
  103   2HB   LYS  15          2HB       LYS  15  -0.080   9.734 -12.433
  104   1HG   LYS  15          1HG       LYS  15  -1.898  12.100 -12.518
  105   2HG   LYS  15          2HG       LYS  15  -0.737  12.020 -13.829
  106   1HD   LYS  15          1HD       LYS  15  -1.575   9.416 -13.813
  107   2HD   LYS  15          2HD       LYS  15  -3.024  10.188 -13.199
  108   1HE   LYS  15          1HE       LYS  15  -3.563  10.922 -15.277
  109   2HE   LYS  15          2HE       LYS  15  -2.036  11.769 -15.411
  110   1HZ   LYS  15          1HZ       LYS  15  -2.381   8.875 -15.988
  111   2HZ   LYS  15          2HZ       LYS  15  -2.304  10.036 -17.127
  112    H    GLN  16           H        GLN  16  -0.821   8.620  -9.339
  113    HA   GLN  16           HA       GLN  16  -3.695   8.394  -9.793
  114   1HB   GLN  16          1HB       GLN  16  -1.750   6.077  -9.425
  115   2HB   GLN  16          2HB       GLN  16  -3.447   5.966  -9.848
  116   1HG   GLN  16          1HG       GLN  16  -1.785   7.682 -11.650
  117   2HG   GLN  16          2HG       GLN  16  -1.412   5.970 -11.687
  118   1HE2  GLN  16          1HE2      GLN  16  -3.517   4.565 -11.581
  119   2HE2  GLN  16          2HE2      GLN  16  -4.735   4.966 -12.746
  120    HA   PRO  17           HA       PRO  17  -3.323   8.677  -5.367
  121   1HB   PRO  17          1HB       PRO  17  -5.770   9.810  -4.923
  122   2HB   PRO  17          2HB       PRO  17  -4.319  10.747  -5.218
  123   1HG   PRO  17          1HG       PRO  17  -6.582  10.210  -7.043
  124   2HG   PRO  17          2HG       PRO  17  -5.357  11.458  -7.151
  125   1HD   PRO  17          1HD       PRO  17  -5.481   9.039  -8.687
  126   2HD   PRO  17          2HD       PRO  17  -4.197  10.231  -8.712
  127    H    VAL  18           H        VAL  18  -4.341   7.686  -3.494
  128    HA   VAL  18           HA       VAL  18  -6.339   5.714  -4.289
  129    HB   VAL  18           HB       VAL  18  -3.678   5.126  -2.987
  130   1HG1  VAL  18          2HG1      VAL  18  -5.568   3.981  -1.813
  131   2HG1  VAL  18          3HG1      VAL  18  -5.997   3.202  -3.355
  132   3HG1  VAL  18          1HG1      VAL  18  -4.422   2.865  -2.596
  133   1HG2  VAL  18          1HG2      VAL  18  -4.937   4.518  -5.636
  134   2HG2  VAL  18          2HG2      VAL  18  -3.260   4.967  -5.241
  135   3HG2  VAL  18          3HG2      VAL  18  -3.839   3.315  -4.917
  136    H    VAL  19           H        VAL  19  -7.582   4.892  -2.454
  137    HA   VAL  19           HA       VAL  19  -7.327   6.647  -0.109
  138    HB   VAL  19           HB       VAL  19  -9.753   5.678  -1.613
  139   1HG1  VAL  19          1HG1      VAL  19 -10.150   5.258   0.770
  140   2HG1  VAL  19          2HG1      VAL  19  -9.689   6.934   1.152
  141   3HG1  VAL  19          3HG1      VAL  19 -11.147   6.611   0.185
  142   1HG2  VAL  19          1HG2      VAL  19  -8.270   8.068  -1.668
  143   2HG2  VAL  19          2HG2      VAL  19  -9.865   7.764  -2.399
  144   3HG2  VAL  19          3HG2      VAL  19  -9.752   8.446  -0.758
  145    H    PHE  20           H        PHE  20  -6.660   5.524   1.640
  146    HA   PHE  20           HA       PHE  20  -7.332   2.666   1.722
  147   1HB   PHE  20          1HB       PHE  20  -4.903   3.445   1.726
  148   2HB   PHE  20          2HB       PHE  20  -5.237   4.437   3.131
  149    HD1  PHE  20           HD1      PHE  20  -4.868   0.961   1.922
  150    HD2  PHE  20           HD2      PHE  20  -5.347   3.482   5.345
  151    HE1  PHE  20           HE1      PHE  20  -4.266  -0.983   3.446
  152    HE2  PHE  20           HE2      PHE  20  -4.744   1.530   6.858
  153    HZ   PHE  20           HZ       PHE  20  -4.253  -0.594   5.958
  154    H    ASN  21           H        ASN  21  -8.438   1.793   3.465
  155    HA   ASN  21           HA       ASN  21  -9.242   3.751   5.472
  156   1HB   ASN  21          1HB       ASN  21 -10.785   1.485   4.136
  157   2HB   ASN  21          2HB       ASN  21 -11.299   2.115   5.688
  158   1HD2  ASN  21          2HD2      ASN  21 -13.175   3.902   3.052
  159   2HD2  ASN  21          1HD2      ASN  21 -12.986   2.275   3.615
  160    H    HIS  22           H        HIS  22  -8.383   3.204   7.481
  161    HA   HIS  22           HA       HIS  22  -7.109   0.731   7.881
  162   1HB   HIS  22          1HB       HIS  22  -7.766   3.106   9.604
  163   2HB   HIS  22          2HB       HIS  22  -7.142   1.642  10.340
  164    HD1  HIS  22           HD1      HIS  22  -6.147   4.510   8.125
  165    HD2  HIS  22           HD2      HIS  22  -4.428   1.043   9.744
  166    HE1  HIS  22           HE1      HIS  22  -3.630   4.724   7.763
  167    H    SER  23           H        SER  23 -10.405   1.869   8.267
  168    HA   SER  23           HA       SER  23 -11.139  -0.011  10.223
  169   1HB   SER  23          1HB       SER  23 -12.317   2.209   8.975
  170   2HB   SER  23          2HB       SER  23 -13.302   0.867   8.427
  171    HG   SER  23           HG       SER  23 -12.909   0.436  11.042
  172    H    THR  24           H        THR  24 -10.110  -0.413   7.052
  173    HA   THR  24           HA       THR  24 -11.899  -2.695   6.571
  174    HB   THR  24           HB       THR  24 -10.083  -1.030   4.751
  175    HG1  THR  24           HG1      THR  24 -12.070   0.011   5.204
  176   1HG2  THR  24          1HG2      THR  24 -10.916  -3.709   4.349
  177   2HG2  THR  24          2HG2      THR  24 -12.120  -2.726   3.482
  178   3HG2  THR  24          3HG2      THR  24 -10.392  -2.570   3.086
  179    H    HIS  25           H        HIS  25  -8.531  -1.708   7.148
  180    HA   HIS  25           HA       HIS  25  -7.752  -4.505   6.839
  181   1HB   HIS  25          1HB       HIS  25  -6.062  -1.996   7.038
  182   2HB   HIS  25          2HB       HIS  25  -5.437  -3.623   6.860
  183    HD1  HIS  25           HD1      HIS  25  -7.581  -1.099   4.958
  184    HD2  HIS  25           HD2      HIS  25  -5.265  -4.525   4.258
  185    HE1  HIS  25           HE1      HIS  25  -7.442  -1.362   2.424
  186    H    LYS  26           H        LYS  26  -9.420  -3.732   9.058
  187    HA   LYS  26           HA       LYS  26  -7.824  -3.212  11.334
  188   1HB   LYS  26          1HB       LYS  26 -10.600  -4.422  11.195
  189   2HB   LYS  26          2HB       LYS  26  -9.855  -3.659  12.585
  190   1HG   LYS  26          1HG       LYS  26  -9.711  -1.502  11.335
  191   2HG   LYS  26          2HG       LYS  26 -10.429  -2.261   9.928
  192   1HD   LYS  26          1HD       LYS  26 -12.405  -1.509  10.804
  193   2HD   LYS  26          2HD       LYS  26 -12.295  -2.925  11.830
  194   1HE   LYS  26          1HE       LYS  26 -10.889  -1.398  13.438
  195   2HE   LYS  26          2HE       LYS  26 -11.525  -0.060  12.501
  196   1HZ   LYS  26          1HZ       LYS  26 -13.660  -0.467  13.252
  197   2HZ   LYS  26          2HZ       LYS  26 -13.429  -2.060  13.500
  198    H    SER  27           H        SER  27  -9.008  -6.167   9.677
  199    HA   SER  27           HA       SER  27  -8.166  -7.883  11.732
  200   1HB   SER  27          1HB       SER  27  -8.788  -9.650  10.270
  201   2HB   SER  27          2HB       SER  27  -9.882  -8.342   9.869
  202    HG   SER  27           HG       SER  27  -7.757  -9.457   8.356
  203    H    VAL  28           H        VAL  28  -6.491  -6.033   9.364
  204    HA   VAL  28           HA       VAL  28  -4.292  -7.905   9.122
  205    HB   VAL  28           HB       VAL  28  -4.547  -5.078   8.086
  206   1HG1  VAL  28          2HG1      VAL  28  -2.300  -6.502   8.191
  207   2HG1  VAL  28          3HG1      VAL  28  -2.982  -7.229   6.716
  208   3HG1  VAL  28          1HG1      VAL  28  -2.696  -5.474   6.793
  209   1HG2  VAL  28          3HG2      VAL  28  -6.159  -7.285   7.393
  210   2HG2  VAL  28          1HG2      VAL  28  -6.005  -5.736   6.530
  211   3HG2  VAL  28          2HG2      VAL  28  -4.973  -7.114   6.076
  212    H    LYS  29           H        LYS  29  -2.224  -7.608  10.027
  213    HA   LYS  29           HA       LYS  29  -2.241  -6.154  12.483
  214   1HB   LYS  29          1HB       LYS  29  -0.779  -8.313  11.308
  215   2HB   LYS  29          2HB       LYS  29   0.373  -7.085  11.794
  216   1HG   LYS  29          1HG       LYS  29   0.167  -8.152  13.832
  217   2HG   LYS  29          2HG       LYS  29  -1.173  -7.037  14.009
  218   1HD   LYS  29          1HD       LYS  29  -2.515  -8.844  14.308
  219   2HD   LYS  29          2HD       LYS  29  -2.306  -9.191  12.603
  220   1HE   LYS  29          1HE       LYS  29  -0.302 -10.146  14.692
  221   2HE   LYS  29          2HE       LYS  29  -1.721 -11.087  14.276
  222   1HZ   LYS  29          1HZ       LYS  29  -0.614 -11.821  12.484
  223   2HZ   LYS  29          2HZ       LYS  29  -0.485 -10.314  11.882
  224    H    CYS  30           H        CYS  30  -0.981  -4.329  13.058
  225    HA   CYS  30           HA       CYS  30  -0.752  -2.425  11.023
  226   1HB   CYS  30          1HB       CYS  30   0.670  -2.196  13.659
  227   2HB   CYS  30          2HB       CYS  30  -0.043  -0.934  12.675
  228    H    GLY  31           H        GLY  31   1.449  -4.805  12.508
  229   1HA   GLY  31          1HA       GLY  31   3.862  -3.666  11.466
  230   2HA   GLY  31          2HA       GLY  31   3.648  -5.244  12.197
  231    H    ASP  32           H        ASP  32   1.210  -5.165   9.959
  232    HA   ASP  32           HA       ASP  32   2.703  -6.807   8.190
  233   1HB   ASP  32          1HB       ASP  32   0.265  -7.144   8.882
  234   2HB   ASP  32          2HB       ASP  32  -0.149  -5.755   7.897
  235    H    CYS  33           H        CYS  33   1.299  -3.508   8.292
  236    HA   CYS  33           HA       CYS  33   2.199  -3.065   5.548
  237   1HB   CYS  33          1HB       CYS  33   0.041  -1.872   7.234
  238   2HB   CYS  33          2HB       CYS  33   0.842  -0.812   6.091
  239    H    HIS  34           H        HIS  34   2.094  -1.513   8.844
  240    HA   HIS  34           HA       HIS  34   4.196   0.281   8.138
  241   1HB   HIS  34          1HB       HIS  34   2.876  -0.323  10.799
  242   2HB   HIS  34          2HB       HIS  34   4.019   0.975  10.518
  243    HD1  HIS  34           HD1      HIS  34   3.212   2.956   8.905
  244    HD2  HIS  34           HD2      HIS  34   0.251   0.207  10.033
  245    HE1  HIS  34           HE1      HIS  34   0.973   4.053   8.361
  246    H    HIS  35           H        HIS  35   5.570  -1.676   7.393
  247    HA   HIS  35           HA       HIS  35   6.602  -3.476   9.207
  248   1HB   HIS  35          1HB       HIS  35   8.331  -3.874   7.585
  249   2HB   HIS  35          2HB       HIS  35   6.806  -3.631   6.756
  250    HD1  HIS  35           HD1      HIS  35  10.076  -1.824   7.490
  251    HD2  HIS  35           HD2      HIS  35   6.769  -1.545   4.925
  252    HE1  HIS  35           HE1      HIS  35  10.657  -0.034   5.767
  253    HA   PRO  36           HA       PRO  36   9.290  -1.105  11.628
  254   1HB   PRO  36          1HB       PRO  36  10.998  -3.026  12.554
  255   2HB   PRO  36          2HB       PRO  36   9.408  -2.749  13.235
  256   1HG   PRO  36          1HG       PRO  36  10.311  -4.940  11.468
  257   2HG   PRO  36          2HG       PRO  36   8.887  -4.867  12.486
  258   1HD   PRO  36          1HD       PRO  36   8.980  -4.534   9.639
  259   2HD   PRO  36          2HD       PRO  36   7.576  -4.347  10.671
  260    H    VAL  37           H        VAL  37  10.378   0.444  10.557
  261    HA   VAL  37           HA       VAL  37  12.465  -0.449   8.772
  262    HB   VAL  37           HB       VAL  37  11.512   2.317   9.542
  263   1HG1  VAL  37          1HG1      VAL  37  13.892   1.726   8.375
  264   2HG1  VAL  37          2HG1      VAL  37  12.848   1.844   6.938
  265   3HG1  VAL  37          3HG1      VAL  37  12.972   3.218   8.063
  266   1HG2  VAL  37          2HG2      VAL  37  10.284   0.292   7.928
  267   2HG2  VAL  37          3HG2      VAL  37   9.731   1.952   8.253
  268   3HG2  VAL  37          1HG2      VAL  37  10.806   1.627   6.872
  269    H    ASN  38           H        ASN  38  14.057  -1.402  10.091
  270    HA   ASN  38           HA       ASN  38  15.867  -1.423  11.286
  271   1HB   ASN  38          1HB       ASN  38  15.630   1.441  10.589
  272   2HB   ASN  38          2HB       ASN  38  16.466   1.215  12.112
  273   1HD2  ASN  38          2HD2      ASN  38  18.843   1.134   9.191
  274   2HD2  ASN  38          1HD2      ASN  38  17.592   2.209   9.721
  275    H    GLY  39           H        GLY  39  14.612   1.644  12.752
  276   1HA   GLY  39          1HA       GLY  39  13.885   0.133  15.188
  277   2HA   GLY  39          2HA       GLY  39  14.850   1.595  15.252
  278    H    LYS  40           H        LYS  40  12.752   1.919  12.618
  279    HA   LYS  40           HA       LYS  40  11.020   3.634  14.202
  280   1HB   LYS  40          1HB       LYS  40  11.147   3.381  11.189
  281   2HB   LYS  40          2HB       LYS  40  10.444   4.682  12.129
  282   1HG   LYS  40          1HG       LYS  40  12.459   5.712  12.412
  283   2HG   LYS  40          2HG       LYS  40  13.251   4.219  12.876
  284   1HD   LYS  40          1HD       LYS  40  13.826   3.665  10.662
  285   2HD   LYS  40          2HD       LYS  40  12.513   4.597   9.972
  286   1HE   LYS  40          1HE       LYS  40  14.930   5.553   9.750
  287   2HE   LYS  40          2HE       LYS  40  13.657   6.658  10.227
  288   1HZ   LYS  40          1HZ       LYS  40  14.325   6.228  12.579
  289   2HZ   LYS  40          2HZ       LYS  40  15.583   5.335  12.059
  290    H    GLU  41           H        GLU  41   8.791   3.365  14.394
  291    HA   GLU  41           HA       GLU  41   7.270   1.697  12.862
  292   1HB   GLU  41          1HB       GLU  41   8.941   0.076  14.302
  293   2HB   GLU  41          2HB       GLU  41   7.602   0.200  15.425
  294   1HG   GLU  41          1HG       GLU  41   6.391  -0.192  12.887
  295   2HG   GLU  41          2HG       GLU  41   7.766  -1.278  12.902
  296    H    ASP  42           H        ASP  42   6.547   4.062  13.551
  297    HA   ASP  42           HA       ASP  42   4.784   3.682  15.839
  298   1HB   ASP  42          1HB       ASP  42   5.022   6.253  16.114
  299   2HB   ASP  42          2HB       ASP  42   6.348   5.252  16.671
  300    H    TYR  43           H        TYR  43   3.936   3.008  13.285
  301    HA   TYR  43           HA       TYR  43   2.581   3.498  11.581
  302   1HB   TYR  43          1HB       TYR  43   1.306   5.480  13.539
  303   2HB   TYR  43          2HB       TYR  43   0.479   4.418  12.417
  304    HD1  TYR  43           HD1      TYR  43   2.139   1.889  13.162
  305    HD2  TYR  43           HD2      TYR  43   0.075   4.821  15.496
  306    HE1  TYR  43           HE1      TYR  43   1.810   0.187  15.022
  307    HE2  TYR  43           HE2      TYR  43  -0.247   3.110  17.348
  308    HH   TYR  43           HH       TYR  43  -0.321   0.278  17.188
  309    H    ARG  44           H        ARG  44   3.806   4.596  10.032
  310    HA   ARG  44           HA       ARG  44   3.442   7.477  10.133
  311   1HB   ARG  44          1HB       ARG  44   5.938   6.046  10.242
  312   2HB   ARG  44          2HB       ARG  44   5.858   6.805   8.664
  313   1HG   ARG  44          1HG       ARG  44   5.380   9.005   9.724
  314   2HG   ARG  44          2HG       ARG  44   5.390   8.260  11.310
  315   1HD   ARG  44          1HD       ARG  44   7.838   7.442  10.172
  316   2HD   ARG  44          2HD       ARG  44   7.662   9.099   9.632
  317    HE   ARG  44           HE       ARG  44   7.113   8.648  12.499
  318   1HH1  ARG  44          2HH2      ARG  44   9.499   9.608  10.063
  319   2HH1  ARG  44          1HH2      ARG  44  10.517  10.425  11.202
  320    HH2  ARG  44           HH1      ARG  44   9.883  10.482  13.512
  321    H    LYS  45           H        LYS  45   3.901   8.449   7.800
  322    HA   LYS  45           HA       LYS  45   2.262   6.951   5.993
  323   1HB   LYS  45          1HB       LYS  45   3.581   9.668   5.901
  324   2HB   LYS  45          2HB       LYS  45   2.744   8.997   4.516
  325   1HG   LYS  45          1HG       LYS  45   0.905   9.993   5.462
  326   2HG   LYS  45          2HG       LYS  45   0.856   8.537   6.437
  327   1HD   LYS  45          1HD       LYS  45   1.223   9.746   8.317
  328   2HD   LYS  45          2HD       LYS  45   2.739  10.340   7.668
  329   1HE   LYS  45          1HE       LYS  45   0.400  11.661   6.436
  330   2HE   LYS  45          2HE       LYS  45   0.445  11.877   8.174
  331   1HZ   LYS  45          1HZ       LYS  45   2.252  13.205   7.997
  332   2HZ   LYS  45          2HZ       LYS  45   3.017  12.247   6.926
  333    H    CYS  46           H        CYS  46   2.873   5.759   4.225
  334    HA   CYS  46           HA       CYS  46   5.466   4.780   4.138
  335   1HB   CYS  46          1HB       CYS  46   3.663   4.719   1.741
  336   2HB   CYS  46          2HB       CYS  46   4.797   3.510   2.307
  337    H    GLY  47           H        GLY  47   3.705   7.156   2.020
  338   1HA   GLY  47          1HA       GLY  47   6.025   7.776   0.467
  339   2HA   GLY  47          2HA       GLY  47   4.477   8.598   0.458
  340    H    THR  48           H        THR  48   7.008   8.018   3.011
  341    HA   THR  48           HA       THR  48   6.797  10.858   3.701
  342    HB   THR  48           HB       THR  48   7.569   8.294   5.117
  343    HG1  THR  48           HG1      THR  48   5.432   9.216   5.323
  344   1HG2  THR  48          2HG2      THR  48   8.825  10.960   5.519
  345   2HG2  THR  48          3HG2      THR  48   8.014  10.327   6.971
  346   3HG2  THR  48          1HG2      THR  48   9.298   9.378   6.185
  347    H    ALA  49           H        ALA  49   8.405  12.305   3.404
  348    HA   ALA  49           HA       ALA  49  10.399  11.783   1.572
  349   1HB   ALA  49          1HB       ALA  49   9.551  13.944   3.353
  350   2HB   ALA  49          2HB       ALA  49  11.319  13.905   3.147
  351   3HB   ALA  49          3HB       ALA  49  10.259  14.027   1.722
  352    H    GLY  50           H        GLY  50  12.033  10.332   1.747
  353   1HA   GLY  50          1HA       GLY  50  14.209  10.031   2.774
  354   2HA   GLY  50          2HA       GLY  50  13.447  10.208   4.343
  355    H    CYS  51           H        CYS  51  11.017   8.631   3.032
  356    HA   CYS  51           HA       CYS  51  12.174   6.029   3.668
  357   1HB   CYS  51          1HB       CYS  51   9.305   7.012   3.710
  358   2HB   CYS  51          2HB       CYS  51   9.759   5.335   3.940
  359    H    HIS  52           H        HIS  52   9.138   6.532   1.868
  360    HA   HIS  52           HA       HIS  52  10.424   5.271  -0.434
  361   1HB   HIS  52          1HB       HIS  52   7.542   5.308   0.494
  362   2HB   HIS  52          2HB       HIS  52   8.047   4.681  -1.063
  363    HD1  HIS  52           HD1      HIS  52   9.953   2.656  -0.873
  364    HD2  HIS  52           HD2      HIS  52   7.590   3.447   2.501
  365    HE1  HIS  52           HE1      HIS  52  10.116   0.589   0.613
  366    H    ASP  53           H        ASP  53  11.310   7.546  -0.833
  367    HA   ASP  53           HA       ASP  53   9.286   8.999  -2.342
  368   1HB   ASP  53          1HB       ASP  53  10.256  10.029  -0.085
  369   2HB   ASP  53          2HB       ASP  53  11.656  10.394  -1.073
  370    H    SER  54           H        SER  54  10.211   7.595  -4.142
  371    HA   SER  54           HA       SER  54  12.867   8.507  -4.923
  372   1HB   SER  54          1HB       SER  54  12.406   5.995  -4.516
  373   2HB   SER  54          2HB       SER  54  11.433   6.038  -5.974
  374    HG   SER  54           HG       SER  54  13.218   5.946  -7.142
  375    H    MET  55           H        MET  55   9.450   8.460  -5.668
  376    HA   MET  55           HA       MET  55   8.265   9.048  -7.415
  377   1HB   MET  55          1HB       MET  55  10.383  11.116  -6.983
  378   2HB   MET  55          2HB       MET  55   9.591  11.231  -8.541
  379   1HG   MET  55          1HG       MET  55   8.226  12.578  -7.148
  380   2HG   MET  55          2HG       MET  55   7.347  11.064  -7.211
  381   1HE   MET  55          1HE       MET  55   7.595   9.185  -5.536
  382   2HE   MET  55          2HE       MET  55   7.490   9.590  -3.806
  383   3HE   MET  55          3HE       MET  55   6.299  10.254  -4.950
  384    H    ASP  56           H        ASP  56  10.107   6.924  -8.061
  385    HA   ASP  56           HA       ASP  56  10.398   7.509 -10.888
  386   1HB   ASP  56          1HB       ASP  56  12.598   7.424  -9.285
  387   2HB   ASP  56          2HB       ASP  56  12.432   5.708  -9.601
  388    H    LYS  57           H        LYS  57   8.434   6.218 -11.182
  389    HA   LYS  57           HA       LYS  57   7.999   3.746  -9.998
  390   1HB   LYS  57          1HB       LYS  57   6.164   4.882 -10.959
  391   2HB   LYS  57          2HB       LYS  57   6.963   5.065 -12.507
  392   1HG   LYS  57          1HG       LYS  57   6.735   2.238 -11.648
  393   2HG   LYS  57          2HG       LYS  57   5.181   3.026 -11.831
  394   1HD   LYS  57          1HD       LYS  57   6.832   3.807 -14.067
  395   2HD   LYS  57          2HD       LYS  57   6.954   2.068 -13.896
  396   1HE   LYS  57          1HE       LYS  57   4.971   1.960 -15.014
  397   2HE   LYS  57          2HE       LYS  57   4.225   2.497 -13.522
  398   1HZ   LYS  57          1HZ       LYS  57   3.686   4.406 -14.545
  399   2HZ   LYS  57          2HZ       LYS  57   5.245   4.751 -14.867
  400    H    LYS  58           H        LYS  58   9.151   4.433 -13.381
  401    HA   LYS  58           HA       LYS  58   9.915   1.724 -13.749
  402   1HB   LYS  58          1HB       LYS  58  10.262   4.273 -15.323
  403   2HB   LYS  58          2HB       LYS  58  11.054   2.792 -15.821
  404   1HG   LYS  58          1HG       LYS  58   8.661   1.705 -15.537
  405   2HG   LYS  58          2HG       LYS  58   8.081   3.357 -15.602
  406   1HD   LYS  58          1HD       LYS  58   9.840   3.316 -17.744
  407   2HD   LYS  58          2HD       LYS  58   9.237   1.670 -17.765
  408   1HE   LYS  58          1HE       LYS  58   6.917   2.445 -17.896
  409   2HE   LYS  58          2HE       LYS  58   7.402   4.107 -17.626
  410   1HZ   LYS  58          1HZ       LYS  58   8.871   3.527 -19.774
  411   2HZ   LYS  58          2HZ       LYS  58   7.617   2.527 -20.060
  412    H    ASP  59           H        ASP  59  11.106   1.804 -11.527
  413    HA   ASP  59           HA       ASP  59  13.884   2.132 -12.204
  414   1HB   ASP  59          1HB       ASP  59  12.765   4.194 -10.875
  415   2HB   ASP  59          2HB       ASP  59  13.011   3.141  -9.497
  416    H    LYS  60           H        LYS  60  11.384   1.322  -9.693
  417    HA   LYS  60           HA       LYS  60  11.051  -0.635  -8.644
  418   1HB   LYS  60          1HB       LYS  60  12.752  -1.510 -10.593
  419   2HB   LYS  60          2HB       LYS  60  13.697  -1.855  -9.158
  420   1HG   LYS  60          1HG       LYS  60  12.340  -3.582  -8.565
  421   2HG   LYS  60          2HG       LYS  60  10.897  -2.604  -8.742
  422   1HD   LYS  60          1HD       LYS  60  12.254  -3.454 -11.283
  423   2HD   LYS  60          2HD       LYS  60  11.460  -4.716 -10.362
  424   1HE   LYS  60          1HE       LYS  60   9.362  -3.935 -10.859
  425   2HE   LYS  60          2HE       LYS  60   9.817  -2.263 -10.603
  426   1HZ   LYS  60          1HZ       LYS  60  10.980  -3.481 -12.967
  427   2HZ   LYS  60          2HZ       LYS  60   9.361  -3.311 -13.026
  428    H    SER  61           H        SER  61  13.329  -2.052  -7.224
  429    HA   SER  61           HA       SER  61  14.554  -1.863  -5.433
  430   1HB   SER  61          1HB       SER  61  14.921   0.731  -6.642
  431   2HB   SER  61          2HB       SER  61  14.781   0.958  -4.910
  432    HG   SER  61           HG       SER  61  16.631  -0.794  -6.287
  433    H    ALA  62           H        ALA  62  14.449  -0.867  -3.055
  434    HA   ALA  62           HA       ALA  62  11.738  -1.094  -2.244
  435   1HB   ALA  62          2HB       ALA  62  13.899  -1.847  -1.042
  436   2HB   ALA  62          3HB       ALA  62  14.061  -0.146  -0.543
  437   3HB   ALA  62          1HB       ALA  62  12.631  -1.086  -0.051
  438    H    LYS  63           H        LYS  63  14.010   1.569  -2.903
  439    HA   LYS  63           HA       LYS  63  12.571   3.564  -1.548
  440   1HB   LYS  63          1HB       LYS  63  14.660   3.546  -3.718
  441   2HB   LYS  63          2HB       LYS  63  13.885   5.044  -3.244
  442   1HG   LYS  63          1HG       LYS  63  14.470   4.260  -0.778
  443   2HG   LYS  63          2HG       LYS  63  15.622   3.206  -1.572
  444   1HD   LYS  63          1HD       LYS  63  16.596   5.212  -2.756
  445   2HD   LYS  63          2HD       LYS  63  15.482   6.243  -1.881
  446   1HE   LYS  63          1HE       LYS  63  16.475   5.171   0.286
  447   2HE   LYS  63          2HE       LYS  63  17.756   4.568  -0.746
  448   1HZ   LYS  63          1HZ       LYS  63  17.108   7.372  -0.121
  449   2HZ   LYS  63          2HZ       LYS  63  18.557   6.631  -0.069
  450    H    GLY  64           H        GLY  64  11.947   1.754  -4.447
  451   1HA   GLY  64          1HA       GLY  64  10.446   3.712  -5.858
  452   2HA   GLY  64          2HA       GLY  64  10.436   1.977  -6.106
  453    H    TYR  65           H        TYR  65   8.964   4.699  -4.347
  454    HA   TYR  65           HA       TYR  65   7.320   3.409  -2.588
  455   1HB   TYR  65          1HB       TYR  65   7.522   5.863  -2.787
  456   2HB   TYR  65          2HB       TYR  65   7.023   5.824  -4.466
  457    HD1  TYR  65           HD1      TYR  65   5.747   5.076  -1.025
  458    HD2  TYR  65           HD2      TYR  65   4.790   6.248  -5.027
  459    HE1  TYR  65           HE1      TYR  65   3.343   5.521  -0.327
  460    HE2  TYR  65           HE2      TYR  65   2.390   6.689  -4.316
  461    HH   TYR  65           HH       TYR  65   1.377   7.327  -1.697
  462    H    TYR  66           H        TYR  66   6.949   3.805  -6.140
  463    HA   TYR  66           HA       TYR  66   4.294   2.711  -6.114
  464   1HB   TYR  66          1HB       TYR  66   4.890   4.304  -7.852
  465   2HB   TYR  66          2HB       TYR  66   6.458   3.561  -8.102
  466    HD1  TYR  66           HD1      TYR  66   6.601   1.349  -9.314
  467    HD2  TYR  66           HD2      TYR  66   2.975   3.608  -9.096
  468    HE1  TYR  66           HE1      TYR  66   5.657   0.036 -11.276
  469    HE2  TYR  66           HE2      TYR  66   2.042   2.287 -11.058
  470    HH   TYR  66           HH       TYR  66   4.043  -0.114 -12.728
  471    H    HIS  67           H        HIS  67   7.220   1.307  -5.466
  472    HA   HIS  67           HA       HIS  67   6.554  -1.114  -6.969
  473   1HB   HIS  67          1HB       HIS  67   8.700  -0.897  -7.581
  474   2HB   HIS  67          2HB       HIS  67   9.066   0.228  -6.287
  475    HD1  HIS  67           HD1      HIS  67   9.664  -3.207  -7.361
  476    HD2  HIS  67           HD2      HIS  67   9.549  -1.169  -3.696
  477    HE1  HIS  67           HE1      HIS  67  10.869  -4.697  -5.677
  478    H    VAL  68           H        VAL  68   6.035   0.351  -4.024
  479    HA   VAL  68           HA       VAL  68   6.210  -2.210  -2.593
  480    HB   VAL  68           HB       VAL  68   5.997  -0.585  -0.578
  481   1HG1  VAL  68          3HG1      VAL  68   8.023  -1.979  -1.488
  482   2HG1  VAL  68          1HG1      VAL  68   8.650  -0.387  -1.980
  483   3HG1  VAL  68          2HG1      VAL  68   8.291  -0.711  -0.268
  484   1HG2  VAL  68          2HG2      VAL  68   5.499   1.433  -1.889
  485   2HG2  VAL  68          3HG2      VAL  68   6.995   1.627  -0.944
  486   3HG2  VAL  68          1HG2      VAL  68   7.082   1.307  -2.693
  487    H    MET  69           H        MET  69   4.120  -0.537  -4.436
  488    HA   MET  69           HA       MET  69   1.906  -1.097  -2.616
  489   1HB   MET  69          1HB       MET  69   2.491   1.180  -4.510
  490   2HB   MET  69          2HB       MET  69   0.820   0.660  -4.421
  491   1HG   MET  69          1HG       MET  69   0.592   1.888  -2.525
  492   2HG   MET  69          2HG       MET  69   1.683   0.778  -1.719
  493   1HE   MET  69          2HE       MET  69   3.582   1.622  -0.501
  494   2HE   MET  69          3HE       MET  69   4.021   3.347  -0.494
  495   3HE   MET  69          1HE       MET  69   2.351   2.852  -0.128
  496    H    HIS  70           H        HIS  70   3.548  -2.058  -5.411
  497    HA   HIS  70           HA       HIS  70   1.145  -3.431  -6.345
  498   1HB   HIS  70          1HB       HIS  70   3.229  -2.280  -8.212
  499   2HB   HIS  70          2HB       HIS  70   1.720  -3.058  -8.646
  500    HD1  HIS  70           HD1      HIS  70   3.091   0.174  -7.230
  501    HD2  HIS  70           HD2      HIS  70  -0.555  -1.417  -8.561
  502    HE1  HIS  70           HE1      HIS  70   1.474   2.140  -7.402
  503    H    ASP  71           H        ASP  71   4.735  -3.242  -6.929
  504    HA   ASP  71           HA       ASP  71   5.245  -5.675  -7.751
  505   1HB   ASP  71          1HB       ASP  71   6.771  -3.662  -6.761
  506   2HB   ASP  71          2HB       ASP  71   6.930  -4.781  -5.421
  507    H    LYS  72           H        LYS  72   5.510  -7.818  -6.839
  508    HA   LYS  72           HA       LYS  72   4.369  -8.097  -4.148
  509   1HB   LYS  72          1HB       LYS  72   4.418 -10.264  -6.247
  510   2HB   LYS  72          2HB       LYS  72   3.426 -10.155  -4.807
  511   1HG   LYS  72          1HG       LYS  72   2.238  -8.178  -5.758
  512   2HG   LYS  72          2HG       LYS  72   3.247  -8.249  -7.189
  513   1HD   LYS  72          1HD       LYS  72   2.389 -10.722  -7.415
  514   2HD   LYS  72          2HD       LYS  72   1.145 -10.245  -6.276
  515   1HE   LYS  72          1HE       LYS  72   0.088  -8.838  -7.793
  516   2HE   LYS  72          2HE       LYS  72   1.583  -8.382  -8.584
  517   1HZ   LYS  72          1HZ       LYS  72   0.061  -9.897  -9.894
  518   2HZ   LYS  72          2HZ       LYS  72   1.600 -10.419  -9.788
  519    H    ASN  73           H        ASN  73   7.105  -8.704  -6.296
  520    HA   ASN  73           HA       ASN  73   8.271 -10.641  -4.598
  521   1HB   ASN  73          1HB       ASN  73   8.671 -10.112  -7.176
  522   2HB   ASN  73          2HB       ASN  73   9.829  -8.939  -6.580
  523   1HD2  ASN  73          2HD2      ASN  73  11.613 -12.117  -7.251
  524   2HD2  ASN  73          1HD2      ASN  73  10.668 -10.971  -8.142
  525    H    THR  74           H        THR  74   7.764  -8.901  -2.705
  526    HA   THR  74           HA       THR  74  10.214  -7.302  -2.361
  527    HB   THR  74           HB       THR  74   8.734  -5.661  -1.150
  528    HG1  THR  74           HG1      THR  74   6.906  -6.821  -0.562
  529   1HG2  THR  74          2HG2      THR  74   8.819  -6.063  -3.963
  530   2HG2  THR  74          3HG2      THR  74   7.095  -5.858  -3.572
  531   3HG2  THR  74          1HG2      THR  74   8.266  -4.596  -3.119
  532    H    LYS  75           H        LYS  75  10.964  -7.047  -0.158
  533    HA   LYS  75           HA       LYS  75  10.878  -9.490   1.221
  534   1HB   LYS  75          1HB       LYS  75  12.825  -8.034   1.256
  535   2HB   LYS  75          2HB       LYS  75  11.909  -6.757   2.032
  536   1HG   LYS  75          1HG       LYS  75  11.555  -9.157   3.593
  537   2HG   LYS  75          2HG       LYS  75  13.267  -8.988   3.263
  538   1HD   LYS  75          1HD       LYS  75  12.789  -6.425   3.932
  539   2HD   LYS  75          2HD       LYS  75  11.434  -7.137   4.785
  540   1HE   LYS  75          1HE       LYS  75  13.896  -8.679   5.234
  541   2HE   LYS  75          2HE       LYS  75  14.111  -7.000   5.685
  542   1HZ   LYS  75          1HZ       LYS  75  11.674  -7.584   6.726
  543   2HZ   LYS  75          2HZ       LYS  75  12.456  -8.996   6.940
  544    H    PHE  76           H        PHE  76   8.873  -6.598   1.281
  545    HA   PHE  76           HA       PHE  76   7.514  -7.673   3.661
  546   1HB   PHE  76          1HB       PHE  76   7.767  -4.870   2.402
  547   2HB   PHE  76          2HB       PHE  76   6.736  -5.205   3.780
  548    HD1  PHE  76           HD2      PHE  76   7.922  -6.250   5.883
  549    HD2  PHE  76           HD1      PHE  76   9.972  -4.179   2.750
  550    HE1  PHE  76           HE2      PHE  76   9.879  -5.810   7.445
  551    HE2  PHE  76           HE1      PHE  76  11.922  -3.746   4.323
  552    HZ   PHE  76           HZ       PHE  76  11.786  -4.641   6.699
  553    H    LYS  77           H        LYS  77   5.148  -7.480   3.701
  554    HA   LYS  77           HA       LYS  77   4.010  -8.327   1.282
  555   1HB   LYS  77          1HB       LYS  77   2.948  -7.566   3.992
  556   2HB   LYS  77          2HB       LYS  77   1.839  -7.863   2.669
  557   1HG   LYS  77          1HG       LYS  77   4.011  -9.895   3.015
  558   2HG   LYS  77          2HG       LYS  77   2.822  -9.833   4.300
  559   1HD   LYS  77          1HD       LYS  77   1.006  -9.948   2.486
  560   2HD   LYS  77          2HD       LYS  77   2.283 -10.263   1.328
  561   1HE   LYS  77          1HE       LYS  77   2.164 -11.960   3.828
  562   2HE   LYS  77          2HE       LYS  77   1.002 -12.272   2.554
  563   1HZ   LYS  77          1HZ       LYS  77   2.645 -12.994   1.145
  564   2HZ   LYS  77          2HZ       LYS  77   3.795 -12.001   1.732
  565    H    SER  78           H        SER  78   3.312  -7.203  -0.454
  566    HA   SER  78           HA       SER  78   3.232  -4.330  -0.162
  567   1HB   SER  78          1HB       SER  78   4.275  -4.471  -2.162
  568   2HB   SER  78          2HB       SER  78   3.952  -6.190  -2.270
  569    HG   SER  78           HG       SER  78   2.842  -5.373  -3.996
  570    H    CYS  79           H        CYS  79   1.403  -3.120  -1.298
  571    HA   CYS  79           HA       CYS  79  -1.018  -3.794  -0.280
  572   1HB   CYS  79          1HB       CYS  79  -0.561  -2.247  -2.838
  573   2HB   CYS  79          2HB       CYS  79  -1.990  -2.189  -1.826
  574    H    VAL  80           H        VAL  80  -0.092  -4.080  -3.797
  575    HA   VAL  80           HA       VAL  80  -2.268  -5.732  -4.423
  576    HB   VAL  80           HB       VAL  80   0.383  -5.254  -5.795
  577   1HG1  VAL  80          3HG1      VAL  80  -0.652  -7.371  -6.541
  578   2HG1  VAL  80          1HG1      VAL  80  -2.149  -6.490  -6.931
  579   3HG1  VAL  80          2HG1      VAL  80  -0.650  -6.136  -7.823
  580   1HG2  VAL  80          1HG2      VAL  80  -1.196  -3.290  -5.382
  581   2HG2  VAL  80          2HG2      VAL  80  -0.708  -3.583  -7.068
  582   3HG2  VAL  80          3HG2      VAL  80  -2.319  -4.091  -6.507
  583    H    GLY  81           H        GLY  81   1.079  -6.362  -3.312
  584   1HA   GLY  81          1HA       GLY  81   1.344  -9.037  -3.878
  585   2HA   GLY  81          2HA       GLY  81   2.019  -8.227  -2.477
  586    H    CYS  82           H        CYS  82   0.080  -7.628  -0.763
  587    HA   CYS  82           HA       CYS  82  -0.713 -10.102   0.242
  588   1HB   CYS  82          1HB       CYS  82  -0.308  -8.110   1.644
  589   2HB   CYS  82          2HB       CYS  82  -1.725  -7.333   0.968
  590    H    HIS  83           H        HIS  83  -2.428  -7.476  -1.564
  591    HA   HIS  83           HA       HIS  83  -4.974  -8.479  -1.424
  592   1HB   HIS  83          1HB       HIS  83  -3.500  -6.803  -3.437
  593   2HB   HIS  83          2HB       HIS  83  -5.142  -7.316  -3.770
  594    HD1  HIS  83           HD1      HIS  83  -5.969  -4.832  -3.623
  595    HD2  HIS  83           HD2      HIS  83  -4.312  -6.332  -0.074
  596    HE1  HIS  83           HE1      HIS  83  -6.600  -3.179  -1.785
  597    H    VAL  84           H        VAL  84  -2.301  -9.292  -3.709
  598    HA   VAL  84           HA       VAL  84  -3.766 -10.931  -5.395
  599    HB   VAL  84           HB       VAL  84  -0.866 -11.009  -4.543
  600   1HG1  VAL  84          3HG1      VAL  84  -2.237 -12.379  -6.881
  601   2HG1  VAL  84          1HG1      VAL  84  -0.476 -12.252  -6.658
  602   3HG1  VAL  84          2HG1      VAL  84  -1.457 -13.167  -5.488
  603   1HG2  VAL  84          1HG2      VAL  84  -2.309  -9.112  -6.038
  604   2HG2  VAL  84          2HG2      VAL  84  -0.542  -9.260  -5.890
  605   3HG2  VAL  84          3HG2      VAL  84  -1.393 -10.065  -7.230
  606    H    GLU  85           H        GLU  85  -2.291 -11.529  -2.185
  607    HA   GLU  85           HA       GLU  85  -2.748 -14.315  -2.330
  608   1HB   GLU  85          1HB       GLU  85  -1.639 -12.373  -0.390
  609   2HB   GLU  85          2HB       GLU  85  -2.477 -13.710   0.371
  610   1HG   GLU  85          1HG       GLU  85  -0.869 -14.765  -1.792
  611   2HG   GLU  85          2HG       GLU  85   0.139 -13.707  -0.826
  612    H    VAL  86           H        VAL  86  -4.536 -11.454  -1.174
  613    HA   VAL  86           HA       VAL  86  -6.467 -12.958   0.280
  614    HB   VAL  86           HB       VAL  86  -6.468 -10.126  -0.781
  615   1HG1  VAL  86          2HG1      VAL  86  -8.747 -10.893  -0.336
  616   2HG1  VAL  86          3HG1      VAL  86  -8.264 -11.442   1.286
  617   3HG1  VAL  86          1HG1      VAL  86  -8.236  -9.707   0.889
  618   1HG2  VAL  86          2HG2      VAL  86  -4.683 -10.981   0.950
  619   2HG2  VAL  86          3HG2      VAL  86  -5.511  -9.425   1.204
  620   3HG2  VAL  86          1HG2      VAL  86  -6.039 -10.871   2.098
  621    H    ALA  87           H        ALA  87  -6.457 -11.241  -2.923
  622    HA   ALA  87           HA       ALA  87  -9.025 -12.141  -3.630
  623   1HB   ALA  87          2HB       ALA  87  -7.406 -10.225  -4.542
  624   2HB   ALA  87          3HB       ALA  87  -6.941 -11.500  -5.694
  625   3HB   ALA  87          1HB       ALA  87  -8.638 -10.974  -5.587
  626    H    GLY  88           H        GLY  88  -5.748 -13.519  -3.874
  627   1HA   GLY  88          1HA       GLY  88  -4.994 -15.485  -4.675
  628   2HA   GLY  88          2HA       GLY  88  -6.500 -16.137  -4.061
  629    H    ALA  89           H        ALA  89  -8.122 -16.794  -5.484
  630    HA   ALA  89           HA       ALA  89  -7.756 -16.069  -8.298
  631   1HB   ALA  89          3HB       ALA  89  -8.027 -18.852  -7.107
  632   2HB   ALA  89          1HB       ALA  89  -8.337 -18.495  -8.823
  633   3HB   ALA  89          2HB       ALA  89  -6.718 -18.223  -8.136
  634    H    ASP  90           H        ASP  90  -9.482 -14.543  -7.176
  635    HA   ASP  90           HA       ASP  90 -12.036 -15.942  -7.272
  636   1HB   ASP  90          1HB       ASP  90 -11.636 -14.851  -5.117
  637   2HB   ASP  90          2HB       ASP  90 -11.183 -13.352  -5.904
  638    H    ALA  91           H        ALA  91  -9.895 -13.911  -8.967
  639    HA   ALA  91           HA       ALA  91 -10.076 -12.717 -10.823
  640   1HB   ALA  91          2HB       ALA  91 -12.563 -14.290 -10.776
  641   2HB   ALA  91          3HB       ALA  91 -12.713 -12.769 -11.689
  642   3HB   ALA  91          1HB       ALA  91 -11.453 -13.949 -12.125
  643    H    ALA  92           H        ALA  92 -13.412 -12.208  -9.488
  644    HA   ALA  92           HA       ALA  92 -13.628  -9.570  -9.915
  645   1HB   ALA  92          2HB       ALA  92 -14.734 -11.533  -8.018
  646   2HB   ALA  92          3HB       ALA  92 -14.795  -9.858  -7.418
  647   3HB   ALA  92          1HB       ALA  92 -15.558 -10.276  -8.971
  648    H    LYS  93           H        LYS  93 -12.293 -11.017  -6.853
  649    HA   LYS  93           HA       LYS  93 -11.450  -8.533  -5.850
  650   1HB   LYS  93          1HB       LYS  93 -10.899 -11.412  -5.167
  651   2HB   LYS  93          2HB       LYS  93  -9.993 -10.134  -4.383
  652   1HG   LYS  93          1HG       LYS  93 -12.091  -9.068  -3.611
  653   2HG   LYS  93          2HG       LYS  93 -13.045 -10.255  -4.478
  654   1HD   LYS  93          1HD       LYS  93 -11.158 -11.670  -2.802
  655   2HD   LYS  93          2HD       LYS  93 -11.948 -10.451  -1.822
  656   1HE   LYS  93          1HE       LYS  93 -13.711 -11.874  -1.647
  657   2HE   LYS  93          2HE       LYS  93 -14.060 -11.531  -3.330
  658   1HZ   LYS  93          1HZ       LYS  93 -12.815 -13.888  -2.184
  659   2HZ   LYS  93          2HZ       LYS  93 -13.717 -13.757  -3.534
  660    H    LYS  94           H        LYS  94 -10.014 -10.921  -8.058
  661    HA   LYS  94           HA       LYS  94  -7.375  -9.936  -7.857
  662   1HB   LYS  94          1HB       LYS  94  -8.131 -12.210  -8.692
  663   2HB   LYS  94          2HB       LYS  94  -8.618 -11.427 -10.182
  664   1HG   LYS  94          1HG       LYS  94  -5.895 -10.645  -9.351
  665   2HG   LYS  94          2HG       LYS  94  -6.046 -12.376  -9.575
  666   1HD   LYS  94          1HD       LYS  94  -7.430 -11.306 -11.779
  667   2HD   LYS  94          2HD       LYS  94  -6.065 -10.223 -11.588
  668   1HE   LYS  94          1HE       LYS  94  -5.484 -13.166 -11.394
  669   2HE   LYS  94          2HE       LYS  94  -5.910 -12.553 -12.979
  670   1HZ   LYS  94          1HZ       LYS  94  -3.694 -12.068 -13.006
  671   2HZ   LYS  94          2HZ       LYS  94  -4.139 -10.712 -12.222
  672    H    LYS  95           H        LYS  95 -10.229  -8.521  -9.019
  673    HA   LYS  95           HA       LYS  95  -8.635  -6.715 -10.698
  674   1HB   LYS  95          1HB       LYS  95 -10.482  -8.408 -11.728
  675   2HB   LYS  95          2HB       LYS  95 -11.517  -7.048 -11.338
  676   1HG   LYS  95          1HG       LYS  95 -10.351  -5.569 -12.775
  677   2HG   LYS  95          2HG       LYS  95  -8.892  -6.540 -12.761
  678   1HD   LYS  95          1HD       LYS  95 -11.214  -8.024 -13.825
  679   2HD   LYS  95          2HD       LYS  95 -10.878  -6.570 -14.744
  680   1HE   LYS  95          1HE       LYS  95  -8.355  -7.414 -14.623
  681   2HE   LYS  95          2HE       LYS  95  -9.087  -8.969 -14.278
  682   1HZ   LYS  95          1HZ       LYS  95 -10.503  -7.953 -16.425
  683   2HZ   LYS  95          2HZ       LYS  95  -8.949  -7.609 -16.771
  684    H    ASP  96           H        ASP  96 -10.320  -7.171  -7.836
  685    HA   ASP  96           HA       ASP  96 -11.214  -4.399  -7.844
  686   1HB   ASP  96          1HB       ASP  96 -12.320  -6.890  -6.773
  687   2HB   ASP  96          2HB       ASP  96 -12.128  -5.711  -5.491
  688    H    LEU  97           H        LEU  97  -9.018  -6.813  -6.533
  689    HA   LEU  97           HA       LEU  97  -8.206  -4.954  -4.411
  690   1HB   LEU  97          1HB       LEU  97  -7.956  -7.950  -4.660
  691   2HB   LEU  97          2HB       LEU  97  -7.086  -7.012  -3.462
  692    HG   LEU  97           HG       LEU  97 -10.084  -7.345  -3.710
  693   1HD1  LEU  97          3HD1      LEU  97  -8.303  -9.009  -2.534
  694   2HD1  LEU  97          1HD1      LEU  97  -8.668  -7.916  -1.177
  695   3HD1  LEU  97          2HD1      LEU  97  -9.984  -8.796  -1.991
  696   1HD2  LEU  97          3HD2      LEU  97  -8.537  -5.192  -2.461
  697   2HD2  LEU  97          1HD2      LEU  97 -10.268  -5.286  -2.864
  698   3HD2  LEU  97          2HD2      LEU  97  -9.667  -5.999  -1.348
  699    H    THR  98           H        THR  98  -7.274  -6.722  -7.339
  700    HA   THR  98           HA       THR  98  -4.686  -5.325  -7.222
  701    HB   THR  98           HB       THR  98  -3.589  -7.332  -8.013
  702    HG1  THR  98           HG1      THR  98  -5.166  -8.094  -9.495
  703   1HG2  THR  98          2HG2      THR  98  -5.745  -8.154  -5.997
  704   2HG2  THR  98          3HG2      THR  98  -4.324  -9.141  -6.415
  705   3HG2  THR  98          1HG2      THR  98  -4.110  -7.573  -5.600
  706    H    GLY  99           H        GLY  99  -7.436  -4.768  -8.453
  707   1HA   GLY  99          1HA       GLY  99  -7.124  -5.136 -11.266
  708   2HA   GLY  99          2HA       GLY  99  -8.298  -4.129 -10.441
  709    H    CYS 100           H        CYS 100  -6.481  -3.641 -12.856
  710    HA   CYS 100           HA       CYS 100  -4.662  -1.637 -11.903
  711   1HB   CYS 100          1HB       CYS 100  -5.334  -2.833 -14.561
  712   2HB   CYS 100          2HB       CYS 100  -4.543  -1.270 -14.518
  713    H    LYS 101           H        LYS 101  -7.664  -1.825 -13.953
  714    HA   LYS 101           HA       LYS 101  -8.216   0.943 -13.149
  715   1HB   LYS 101          1HB       LYS 101  -7.437   1.061 -15.414
  716   2HB   LYS 101          2HB       LYS 101  -8.447  -0.283 -15.907
  717   1HG   LYS 101          1HG       LYS 101 -10.228   1.576 -14.702
  718   2HG   LYS 101          2HG       LYS 101  -9.137   2.550 -15.667
  719   1HD   LYS 101          1HD       LYS 101  -9.688   0.400 -17.365
  720   2HD   LYS 101          2HD       LYS 101 -11.217   0.630 -16.539
  721   1HE   LYS 101          1HE       LYS 101 -11.322   2.973 -17.215
  722   2HE   LYS 101          2HE       LYS 101  -9.678   2.933 -17.821
  723   1HZ   LYS 101          1HZ       LYS 101 -10.626   1.048 -19.335
  724   2HZ   LYS 101          2HZ       LYS 101 -12.076   1.714 -19.009
  725    H    LYS 102           H        LYS 102 -10.248   1.301 -12.346
  726    HA   LYS 102           HA       LYS 102 -12.373   0.935 -11.816
  727   1HB   LYS 102          1HB       LYS 102 -12.495   0.037 -14.238
  728   2HB   LYS 102          2HB       LYS 102 -12.465  -1.558 -13.514
  729   1HG   LYS 102          1HG       LYS 102 -14.671  -1.398 -13.028
  730   2HG   LYS 102          2HG       LYS 102 -14.360   0.001 -12.019
  731   1HD   LYS 102          1HD       LYS 102 -14.334   0.537 -14.958
  732   2HD   LYS 102          2HD       LYS 102 -15.889   0.055 -14.307
  733   1HE   LYS 102          1HE       LYS 102 -16.134   2.249 -13.726
  734   2HE   LYS 102          2HE       LYS 102 -15.047   1.885 -12.401
  735   1HZ   LYS 102          1HZ       LYS 102 -14.316   3.793 -13.799
  736   2HZ   LYS 102          2HZ       LYS 102 -13.189   2.620 -13.731
  737    H    SER 103           H        SER 103 -10.477   0.333 -10.016
  738    HA   SER 103           HA       SER 103 -11.468  -2.178  -8.919
  739   1HB   SER 103          1HB       SER 103  -8.984  -1.972  -7.771
  740   2HB   SER 103          2HB       SER 103  -9.339  -2.942  -9.187
  741    HG   SER 103           HG       SER 103  -8.551  -0.163  -9.352
  742    H    LYS 104           H        LYS 104 -10.363  -2.078  -6.374
  743    HA   LYS 104           HA       LYS 104 -11.910   0.010  -5.199
  744   1HB   LYS 104          1HB       LYS 104 -10.102  -2.103  -3.990
  745   2HB   LYS 104          2HB       LYS 104 -11.120  -1.016  -3.067
  746   1HG   LYS 104          1HG       LYS 104 -12.491  -2.488  -5.284
  747   2HG   LYS 104          2HG       LYS 104 -11.930  -3.483  -3.954
  748   1HD   LYS 104          1HD       LYS 104 -13.117  -1.216  -2.721
  749   2HD   LYS 104          2HD       LYS 104 -14.191  -1.624  -4.044
  750   1HE   LYS 104          1HE       LYS 104 -13.169  -3.684  -2.035
  751   2HE   LYS 104          2HE       LYS 104 -14.677  -2.816  -1.829
  752   1HZ   LYS 104          1HZ       LYS 104 -14.478  -5.119  -3.181
  753   2HZ   LYS 104          2HZ       LYS 104 -15.663  -4.037  -3.458
  754    H    CYS 105           H        CYS 105  -8.515  -0.537  -6.052
  755    HA   CYS 105           HA       CYS 105  -7.620   1.635  -4.402
  756   1HB   CYS 105          1HB       CYS 105  -6.149  -0.007  -6.491
  757   2HB   CYS 105          2HB       CYS 105  -5.410   1.180  -5.434
  758    H    HIS 106           H        HIS 106  -7.558   0.887  -7.973
  759    HA   HIS 106           HA       HIS 106  -7.641   3.767  -8.443
  760   1HB   HIS 106          1HB       HIS 106  -6.847   1.485 -10.274
  761   2HB   HIS 106          2HB       HIS 106  -6.867   3.178 -10.727
  762    HD1  HIS 106           HD1      HIS 106  -5.413   4.621  -8.566
  763    HD2  HIS 106           HD2      HIS 106  -4.259   0.788  -9.819
  764    HE1  HIS 106           HE1      HIS 106  -2.966   4.355  -7.893
  765    H    GLU 107           H        GLU 107  -9.209   4.690  -9.856
  766    HA   GLU 107           HA       GLU 107 -11.375   2.858 -10.528
  767   1HB   GLU 107          1HB       GLU 107 -11.479   5.510  -9.088
  768   2HB   GLU 107          2HB       GLU 107 -12.830   5.048 -10.104
  769   1HG   GLU 107          1HG       GLU 107 -12.454   2.706  -8.721
  770   2HG   GLU 107          2HG       GLU 107 -11.901   3.858  -7.522
  771    HHA  HEC 108           HHA      HEC 108  -0.905   6.633   7.417
  772    HHB  HEC 108           HHB      HEC 108  -1.806   4.082  13.227
  773    HHC  HEC 108           HHC      HEC 108  -2.672  -1.684  10.562
  774    HHD  HEC 108           HHD      HEC 108  -1.332   0.818   4.759
  775   1HMA  HEC 108          1HMA      HEC 108  -0.047   6.838  12.961
  776   2HMA  HEC 108          2HMA      HEC 108  -1.610   7.629  12.646
  777   3HMA  HEC 108          3HMA      HEC 108  -1.561   6.045  13.458
  778   1HAA  HEC 108          1HAA      HEC 108  -0.258   7.981   8.764
  779   2HAA  HEC 108          2HAA      HEC 108  -1.444   8.580   9.949
  780   1HBA  HEC 108          1HBA      HEC 108   0.829   7.769  11.421
  781   2HBA  HEC 108          2HBA      HEC 108   1.417   8.698  10.021
  782   1HMB  HEC 108          1HMB      HEC 108  -3.179   1.062  15.052
  783   2HMB  HEC 108          2HMB      HEC 108  -1.611   1.901  14.985
  784   3HMB  HEC 108          3HMB      HEC 108  -3.109   2.783  14.601
  785    HAB  HEC 108           HAB      HEC 108  -3.255  -1.813  12.451
  786   1HBB  HEC 108          1HBB      HEC 108  -4.794   0.010  13.856
  787   2HBB  HEC 108          2HBB      HEC 108  -4.957  -1.763  13.879
  788   3HBB  HEC 108          3HBB      HEC 108  -3.993  -0.941  15.130
  789   1HMC  HEC 108          1HMC      HEC 108  -1.949  -3.706   7.657
  790   2HMC  HEC 108          2HMC      HEC 108  -2.660  -3.182   9.202
  791   3HMC  HEC 108          3HMC      HEC 108  -3.674  -3.279   7.742
  792    HAC  HEC 108           HAC      HEC 108  -2.100  -1.090   4.461
  793   1HBC  HEC 108          1HBC      HEC 108  -2.745  -3.722   5.806
  794   2HBC  HEC 108          2HBC      HEC 108  -3.958  -2.535   5.270
  795   3HBC  HEC 108          3HBC      HEC 108  -2.892  -3.318   4.078
  796   1HMD  HEC 108          1HMD      HEC 108  -1.456   3.098   2.942
  797   2HMD  HEC 108          2HMD      HEC 108   0.177   3.799   3.043
  798   3HMD  HEC 108          3HMD      HEC 108  -0.085   2.089   3.463
  799   1HAD  HEC 108          1HAD      HEC 108  -0.575   6.828   5.430
  800   2HAD  HEC 108          2HAD      HEC 108   0.845   6.011   4.733
  801   1HBD  HEC 108          1HBD      HEC 108  -1.398   5.301   3.146
  802   2HBD  HEC 108          2HBD      HEC 108  -1.457   7.060   3.414
  803    HHA  HEC 109           HHA      HEC 109  11.680  -2.348   1.719
  804    HHB  HEC 109           HHB      HEC 109   5.319  -1.619   1.368
  805    HHC  HEC 109           HHC      HEC 109   5.645   3.239   5.538
  806    HHD  HEC 109           HHD      HEC 109  12.106   3.181   4.938
  807   1HMA  HEC 109          1HMA      HEC 109   6.999  -4.687   0.442
  808   2HMA  HEC 109          2HMA      HEC 109   5.773  -3.401   0.566
  809   3HMA  HEC 109          3HMA      HEC 109   6.853  -3.469  -0.848
  810   1HAA  HEC 109          1HAA      HEC 109  10.948  -3.958   0.795
  811   2HAA  HEC 109          2HAA      HEC 109   9.491  -4.920   0.448
  812   1HBA  HEC 109          1HBA      HEC 109   9.209  -3.613  -1.658
  813   2HBA  HEC 109          2HBA      HEC 109  10.772  -2.829  -1.323
  814   1HMB  HEC 109          1HMB      HEC 109   2.351   0.303   2.606
  815   2HMB  HEC 109          2HMB      HEC 109   3.368  -0.684   1.527
  816   3HMB  HEC 109          3HMB      HEC 109   2.969  -1.272   3.159
  817    HAB  HEC 109           HAB      HEC 109   3.741   2.727   5.377
  818   1HBB  HEC 109          1HBB      HEC 109   1.735   1.755   5.969
  819   2HBB  HEC 109          2HBB      HEC 109   1.609   0.829   4.454
  820   3HBB  HEC 109          3HBB      HEC 109   2.773   0.333   5.706
  821   1HMC  HEC 109          1HMC      HEC 109   7.756   6.058   6.418
  822   2HMC  HEC 109          2HMC      HEC 109   6.430   4.874   6.510
  823   3HMC  HEC 109          3HMC      HEC 109   7.660   4.936   7.796
  824    HAC  HEC 109           HAC      HEC 109  11.671   4.680   6.122
  825   1HBC  HEC 109          1HBC      HEC 109   9.686   5.574   8.223
  826   2HBC  HEC 109          2HBC      HEC 109  10.715   4.129   8.361
  827   3HBC  HEC 109          3HBC      HEC 109  11.458   5.743   8.252
  828   1HMD  HEC 109          1HMD      HEC 109  14.296   1.434   5.297
  829   2HMD  HEC 109          2HMD      HEC 109  15.075   1.159   3.720
  830   3HMD  HEC 109          3HMD      HEC 109  14.136   2.645   4.002
  831   1HAD  HEC 109          1HAD      HEC 109  13.607  -2.118   2.295
  832   2HAD  HEC 109          2HAD      HEC 109  14.434  -0.688   1.631
  833   1HBD  HEC 109          1HBD      HEC 109  14.871  -0.791   4.463
  834   2HBD  HEC 109          2HBD      HEC 109  15.259  -2.372   3.742
  835    HHA  HEC 110           HHA      HEC 110 -10.275  -4.640   0.743
  836    HHB  HEC 110           HHB      HEC 110  -6.337   0.133  -0.938
  837    HHC  HEC 110           HHC      HEC 110  -1.528  -2.793   2.119
  838    HHD  HEC 110           HHD      HEC 110  -5.314  -7.877   3.190
  839   1HMA  HEC 110          1HMA      HEC 110  -8.825   0.877  -0.759
  840   2HMA  HEC 110          2HMA      HEC 110  -8.433   0.099  -2.310
  841   3HMA  HEC 110          3HMA      HEC 110 -10.090   0.015  -1.667
  842   1HAA  HEC 110          1HAA      HEC 110 -11.330  -1.503  -1.149
  843   2HAA  HEC 110          2HAA      HEC 110 -11.194  -3.278  -1.144
  844   1HBA  HEC 110          1HBA      HEC 110 -12.826  -2.799   0.453
  845   2HBA  HEC 110          2HBA      HEC 110 -11.355  -3.098   1.410
  846   1HMB  HEC 110          1HMB      HEC 110  -4.567   1.001  -1.597
  847   2HMB  HEC 110          2HMB      HEC 110  -3.859   1.806  -0.177
  848   3HMB  HEC 110          3HMB      HEC 110  -2.799   1.075  -1.406
  849    HAB  HEC 110           HAB      HEC 110  -0.778  -1.152   1.258
  850   1HBB  HEC 110          1HBB      HEC 110  -0.314   0.975   1.721
  851   2HBB  HEC 110          2HBB      HEC 110  -0.861   1.536   0.123
  852   3HBB  HEC 110          3HBB      HEC 110  -2.042   1.293   1.432
  853   1HMC  HEC 110          1HMC      HEC 110  -0.186  -6.300   2.476
  854   2HMC  HEC 110          2HMC      HEC 110  -0.264  -4.533   2.283
  855   3HMC  HEC 110          3HMC      HEC 110  -0.441  -5.260   3.898
  856    HAC  HEC 110           HAC      HEC 110  -3.411  -8.109   4.266
  857   1HBC  HEC 110          1HBC      HEC 110  -1.304  -8.608   5.105
  858   2HBC  HEC 110          2HBC      HEC 110  -0.463  -7.814   3.753
  859   3HBC  HEC 110          3HBC      HEC 110  -1.287  -6.832   4.988
  860   1HMD  HEC 110          1HMD      HEC 110  -7.844  -8.404   4.452
  861   2HMD  HEC 110          2HMD      HEC 110  -8.882  -9.105   3.188
  862   3HMD  HEC 110          3HMD      HEC 110  -7.111  -9.214   3.047
  863   1HAD  HEC 110          1HAD      HEC 110 -10.548  -7.878   2.764
  864   2HAD  HEC 110          2HAD      HEC 110 -10.995  -6.165   2.580
  865   1HBD  HEC 110          1HBD      HEC 110 -11.720  -6.506   0.511
  866   2HBD  HEC 110          2HBD      HEC 110 -10.210  -7.323   0.040
  867    HHA  HEC 111           HHA      HEC 111   0.475   5.459  -7.558
  868    HHB  HEC 111           HHB      HEC 111  -0.506   1.979 -12.851
  869    HHC  HEC 111           HHC      HEC 111  -3.279  -2.622  -9.362
  870    HHD  HEC 111           HHD      HEC 111  -2.828   1.179  -4.123
  871   1HMA  HEC 111          1HMA      HEC 111   0.151   4.057 -13.398
  872   2HMA  HEC 111          2HMA      HEC 111   1.187   5.364 -12.776
  873   3HMA  HEC 111          3HMA      HEC 111   1.828   3.709 -12.912
  874   1HAA  HEC 111          1HAA      HEC 111   0.850   6.827 -10.610
  875   2HAA  HEC 111          2HAA      HEC 111   1.442   6.342  -9.003
  876   1HBA  HEC 111          1HBA      HEC 111   3.513   6.236  -9.774
  877   2HBA  HEC 111          2HBA      HEC 111   3.029   5.051 -11.011
  878   1HMB  HEC 111          1HMB      HEC 111  -0.410  -1.516 -13.836
  879   2HMB  HEC 111          2HMB      HEC 111  -1.848  -0.594 -14.335
  880   3HMB  HEC 111          3HMB      HEC 111  -0.346   0.261 -13.906
  881    HAB  HEC 111           HAB      HEC 111  -3.347  -3.161 -11.448
  882   1HBB  HEC 111          1HBB      HEC 111  -1.680  -4.878 -12.096
  883   2HBB  HEC 111          2HBB      HEC 111  -0.418  -3.624 -12.050
  884   3HBB  HEC 111          3HBB      HEC 111  -1.298  -4.056 -10.564
  885   1HMC  HEC 111          1HMC      HEC 111  -4.525  -3.351  -7.894
  886   2HMC  HEC 111          2HMC      HEC 111  -4.277  -3.689  -6.165
  887   3HMC  HEC 111          3HMC      HEC 111  -5.696  -2.755  -6.694
  888    HAC  HEC 111           HAC      HEC 111  -3.836  -0.442  -3.580
  889   1HBC  HEC 111          1HBC      HEC 111  -4.424  -2.548  -2.696
  890   2HBC  HEC 111          2HBC      HEC 111  -4.822  -3.202  -4.303
  891   3HBC  HEC 111          3HBC      HEC 111  -3.129  -2.855  -3.878
  892   1HMD  HEC 111          1HMD      HEC 111  -0.480   3.717  -2.618
  893   2HMD  HEC 111          2HMD      HEC 111  -2.247   3.741  -2.832
  894   3HMD  HEC 111          3HMD      HEC 111  -1.378   2.188  -2.778
  895   1HAD  HEC 111          1HAD      HEC 111   0.872   5.097  -3.922
  896   2HAD  HEC 111          2HAD      HEC 111   1.008   5.707  -5.589
  897   1HBD  HEC 111          1HBD      HEC 111  -1.166   6.852  -5.314
  898   2HBD  HEC 111          2HBD      HEC 111  -1.217   6.297  -3.623
   
  No H/Q in entry =         898
  Start of MODEL    8
    1   1H    ALA   1          1H        ALA   1   1.596   4.310  21.220
    2   2H    ALA   1          2H        ALA   1   1.944   2.798  21.797
    3    HA   ALA   1           HA       ALA   1   1.607   3.075  18.972
    4   1HB   ALA   1          2HB       ALA   1   1.368   1.017  21.104
    5   2HB   ALA   1          3HB       ALA   1   0.191   0.888  19.776
    6   3HB   ALA   1          1HB       ALA   1   1.935   0.864  19.424
    7    HA   PRO   2           HA       PRO   2  -2.143   5.212  20.053
    8   1HB   PRO   2          1HB       PRO   2  -2.299   6.726  17.783
    9   2HB   PRO   2          2HB       PRO   2  -1.472   7.257  19.234
   10   1HG   PRO   2          1HG       PRO   2  -0.316   6.285  16.693
   11   2HG   PRO   2          2HG       PRO   2   0.457   7.202  17.971
   12   1HD   PRO   2          1HD       PRO   2   0.753   4.397  17.453
   13   2HD   PRO   2          2HD       PRO   2   1.433   5.292  18.797
   14    H    LYS   3           H        LYS   3  -4.129   5.832  18.330
   15    HA   LYS   3           HA       LYS   3  -4.812   3.137  17.443
   16   1HB   LYS   3          1HB       LYS   3  -6.226   5.232  18.774
   17   2HB   LYS   3          2HB       LYS   3  -6.992   4.977  17.219
   18   1HG   LYS   3          1HG       LYS   3  -6.808   2.412  17.811
   19   2HG   LYS   3          2HG       LYS   3  -6.556   2.969  19.454
   20   1HD   LYS   3          1HD       LYS   3  -8.829   4.323  18.130
   21   2HD   LYS   3          2HD       LYS   3  -9.038   2.585  18.216
   22   1HE   LYS   3          1HE       LYS   3  -8.884   2.559  20.604
   23   2HE   LYS   3          2HE       LYS   3  -8.143   4.146  20.666
   24   1HZ   LYS   3          1HZ       LYS   3 -10.442   4.373  21.256
   25   2HZ   LYS   3          2HZ       LYS   3 -10.296   5.037  19.776
   26    H    ALA   4           H        ALA   4  -6.187   3.061  15.354
   27    HA   ALA   4           HA       ALA   4  -4.583   4.053  13.272
   28   1HB   ALA   4          2HB       ALA   4  -5.964   1.957  13.246
   29   2HB   ALA   4          3HB       ALA   4  -7.426   2.970  13.163
   30   3HB   ALA   4          1HB       ALA   4  -6.241   3.006  11.835
   31    HA   PRO   5           HA       PRO   5  -6.362   7.943  12.624
   32   1HB   PRO   5          1HB       PRO   5  -5.692   8.402  10.015
   33   2HB   PRO   5          2HB       PRO   5  -4.574   8.627  11.345
   34   1HG   PRO   5          1HG       PRO   5  -4.673   6.441   9.358
   35   2HG   PRO   5          2HG       PRO   5  -3.350   6.914  10.406
   36   1HD   PRO   5          1HD       PRO   5  -5.099   4.668  10.756
   37   2HD   PRO   5          2HD       PRO   5  -3.851   5.207  11.863
   38    H    ALA   6           H        ALA   6  -7.947   9.273  11.393
   39    HA   ALA   6           HA       ALA   6 -10.304   7.860  11.174
   40   1HB   ALA   6          1HB       ALA   6 -10.139  10.294  11.498
   41   2HB   ALA   6          2HB       ALA   6  -9.470  10.477   9.859
   42   3HB   ALA   6          3HB       ALA   6 -11.145   9.917  10.079
   43    H    ASP   7           H        ASP   7 -11.674   7.595   9.148
   44    HA   ASP   7           HA       ASP   7 -10.101   6.144   7.277
   45   1HB   ASP   7          1HB       ASP   7 -12.267   5.514   6.299
   46   2HB   ASP   7          2HB       ASP   7 -12.330   5.347   8.042
   47    H    GLY   8           H        GLY   8 -10.561   6.509   4.810
   48   1HA   GLY   8          1HA       GLY   8 -10.967   7.874   3.009
   49   2HA   GLY   8          2HA       GLY   8 -11.347   9.209   4.079
   50    H    LEU   9           H        LEU   9  -8.415   7.292   4.640
   51    HA   LEU   9           HA       LEU   9  -6.818   9.636   4.324
   52   1HB   LEU   9          1HB       LEU   9  -6.225   8.244   6.094
   53   2HB   LEU   9          2HB       LEU   9  -6.331   6.787   5.126
   54    HG   LEU   9           HG       LEU   9  -4.008   7.783   5.843
   55   1HD1  LEU   9          3HD1      LEU   9  -4.904   6.061   3.782
   56   2HD1  LEU   9          1HD1      LEU   9  -3.597   7.059   3.099
   57   3HD1  LEU   9          2HD1      LEU   9  -3.311   6.105   4.574
   58   1HD2  LEU   9          3HD2      LEU   9  -4.851   9.959   4.465
   59   2HD2  LEU   9          1HD2      LEU   9  -3.142   9.535   4.728
   60   3HD2  LEU   9          2HD2      LEU   9  -3.941   9.101   3.198
   61    H    LYS  10           H        LYS  10  -6.912  10.324   2.169
   62    HA   LYS  10           HA       LYS  10  -6.185   8.374   0.137
   63   1HB   LYS  10          1HB       LYS  10  -8.088   9.699  -0.410
   64   2HB   LYS  10          2HB       LYS  10  -7.283  11.189   0.038
   65   1HG   LYS  10          1HG       LYS  10  -5.580  10.735  -1.810
   66   2HG   LYS  10          2HG       LYS  10  -6.567   9.377  -2.312
   67   1HD   LYS  10          1HD       LYS  10  -8.098  10.724  -3.338
   68   2HD   LYS  10          2HD       LYS  10  -8.175  11.821  -1.973
   69   1HE   LYS  10          1HE       LYS  10  -5.820  11.811  -3.910
   70   2HE   LYS  10          2HE       LYS  10  -7.250  12.784  -4.189
   71   1HZ   LYS  10          1HZ       LYS  10  -6.261  13.108  -1.522
   72   2HZ   LYS  10          2HZ       LYS  10  -5.123  13.499  -2.619
   73    H    MET  11           H        MET  11  -4.343   8.596  -1.219
   74    HA   MET  11           HA       MET  11  -2.430  10.581  -0.282
   75   1HB   MET  11          1HB       MET  11  -0.644   8.785  -0.536
   76   2HB   MET  11          2HB       MET  11  -1.790   8.435   0.742
   77   1HG   MET  11          1HG       MET  11  -2.959   7.309  -1.582
   78   2HG   MET  11          2HG       MET  11  -1.253   6.935  -1.724
   79   1HE   MET  11          2HE       MET  11   0.066   5.708  -0.443
   80   2HE   MET  11          3HE       MET  11  -0.346   4.615   0.900
   81   3HE   MET  11          1HE       MET  11  -0.861   4.222  -0.757
   82    H    GLU  12           H        GLU  12  -2.299  11.940  -2.038
   83    HA   GLU  12           HA       GLU  12  -2.170  10.659  -4.646
   84   1HB   GLU  12          1HB       GLU  12  -3.928  12.445  -4.171
   85   2HB   GLU  12          2HB       GLU  12  -2.626  13.608  -4.026
   86   1HG   GLU  12          1HG       GLU  12  -2.708  11.871  -6.494
   87   2HG   GLU  12          2HG       GLU  12  -3.869  13.178  -6.368
   88    H    ALA  13           H        ALA  13   0.140  10.067  -3.800
   89    HA   ALA  13           HA       ALA  13   1.990  12.287  -3.864
   90   1HB   ALA  13          1HB       ALA  13   1.884   9.782  -2.614
   91   2HB   ALA  13          2HB       ALA  13   3.138   9.598  -3.863
   92   3HB   ALA  13          3HB       ALA  13   3.275  10.891  -2.649
   93    H    THR  14           H        THR  14   0.445  10.138  -6.078
   94    HA   THR  14           HA       THR  14   2.443  10.861  -8.113
   95    HB   THR  14           HB       THR  14   2.466   8.630  -8.928
   96    HG1  THR  14           HG1      THR  14  -0.011   8.559  -7.372
   97   1HG2  THR  14          3HG2      THR  14   2.966   8.919  -6.187
   98   2HG2  THR  14          1HG2      THR  14   1.771   7.601  -6.237
   99   3HG2  THR  14          2HG2      THR  14   3.298   7.452  -7.139
  100    H    LYS  15           H        LYS  15   1.328  10.222 -10.405
  101    HA   LYS  15           HA       LYS  15  -0.732  12.115 -10.652
  102   1HB   LYS  15          1HB       LYS  15   0.966  11.504 -12.393
  103   2HB   LYS  15          2HB       LYS  15   0.120   9.989 -12.637
  104   1HG   LYS  15          1HG       LYS  15  -1.572  10.981 -13.815
  105   2HG   LYS  15          2HG       LYS  15  -1.698  12.320 -12.692
  106   1HD   LYS  15          1HD       LYS  15  -0.243  13.651 -13.891
  107   2HD   LYS  15          2HD       LYS  15   0.789  12.308 -14.341
  108   1HE   LYS  15          1HE       LYS  15  -0.208  12.933 -16.398
  109   2HE   LYS  15          2HE       LYS  15  -1.164  11.553 -15.897
  110   1HZ   LYS  15          1HZ       LYS  15  -2.235  13.917 -16.539
  111   2HZ   LYS  15          2HZ       LYS  15  -2.971  12.869 -15.532
  112    H    GLN  16           H        GLN  16  -0.742   8.922  -9.456
  113    HA   GLN  16           HA       GLN  16  -3.603   8.776 -10.010
  114   1HB   GLN  16          1HB       GLN  16  -1.764   6.380  -9.611
  115   2HB   GLN  16          2HB       GLN  16  -3.449   6.346 -10.091
  116   1HG   GLN  16          1HG       GLN  16  -1.750   8.037 -11.845
  117   2HG   GLN  16          2HG       GLN  16  -1.285   6.347 -11.837
  118   1HE2  GLN  16          2HE2      GLN  16  -4.520   5.157 -12.992
  119   2HE2  GLN  16          1HE2      GLN  16  -3.339   4.845 -11.764
  120    HA   PRO  17           HA       PRO  17  -3.392   9.008  -5.588
  121   1HB   PRO  17          1HB       PRO  17  -5.909  10.005  -5.209
  122   2HB   PRO  17          2HB       PRO  17  -4.505  11.020  -5.473
  123   1HG   PRO  17          1HG       PRO  17  -6.689  10.351  -7.350
  124   2HG   PRO  17          2HG       PRO  17  -5.533  11.665  -7.435
  125   1HD   PRO  17          1HD       PRO  17  -5.485   9.238  -8.961
  126   2HD   PRO  17          2HD       PRO  17  -4.269  10.499  -8.960
  127    H    VAL  18           H        VAL  18  -4.478   8.015  -3.723
  128    HA   VAL  18           HA       VAL  18  -6.347   5.945  -4.537
  129    HB   VAL  18           HB       VAL  18  -3.649   5.436  -3.279
  130   1HG1  VAL  18          3HG1      VAL  18  -6.169   3.811  -3.226
  131   2HG1  VAL  18          1HG1      VAL  18  -4.607   2.973  -3.384
  132   3HG1  VAL  18          2HG1      VAL  18  -4.917   4.020  -1.979
  133   1HG2  VAL  18          2HG2      VAL  18  -4.890   4.923  -5.930
  134   2HG2  VAL  18          3HG2      VAL  18  -3.190   5.213  -5.492
  135   3HG2  VAL  18          1HG2      VAL  18  -3.909   3.603  -5.248
  136    H    VAL  19           H        VAL  19  -7.567   5.081  -2.719
  137    HA   VAL  19           HA       VAL  19  -7.292   6.744  -0.312
  138    HB   VAL  19           HB       VAL  19  -9.759   5.921  -1.841
  139   1HG1  VAL  19          1HG1      VAL  19 -10.046   5.508   0.608
  140   2HG1  VAL  19          2HG1      VAL  19  -9.688   7.228   0.898
  141   3HG1  VAL  19          3HG1      VAL  19 -11.127   6.765  -0.041
  142   1HG2  VAL  19          1HG2      VAL  19  -8.170   8.272  -1.806
  143   2HG2  VAL  19          2HG2      VAL  19  -9.722   8.004  -2.633
  144   3HG2  VAL  19          3HG2      VAL  19  -9.697   8.662  -0.979
  145    H    PHE  20           H        PHE  20  -6.623   5.491   1.347
  146    HA   PHE  20           HA       PHE  20  -7.323   2.651   1.261
  147   1HB   PHE  20          1HB       PHE  20  -4.922   3.554   1.512
  148   2HB   PHE  20          2HB       PHE  20  -5.416   4.340   2.998
  149    HD1  PHE  20           HD2      PHE  20  -5.440   0.920   1.445
  150    HD2  PHE  20           HD1      PHE  20  -4.993   3.251   5.005
  151    HE1  PHE  20           HE2      PHE  20  -4.863  -1.180   2.757
  152    HE2  PHE  20           HE1      PHE  20  -4.418   1.143   6.304
  153    HZ   PHE  20           HZ       PHE  20  -4.357  -1.072   5.057
  154    H    ASN  21           H        ASN  21  -7.543   1.693   3.633
  155    HA   ASN  21           HA       ASN  21  -9.007   3.526   5.311
  156   1HB   ASN  21          1HB       ASN  21 -10.160   0.906   4.219
  157   2HB   ASN  21          2HB       ASN  21 -10.869   1.786   5.558
  158   1HD2  ASN  21          2HD2      ASN  21 -11.150   3.126   1.666
  159   2HD2  ASN  21          1HD2      ASN  21 -10.032   1.895   2.150
  160    H    HIS  22           H        HIS  22  -8.831   2.901   7.544
  161    HA   HIS  22           HA       HIS  22  -7.035   0.657   7.991
  162   1HB   HIS  22          1HB       HIS  22  -7.717   3.166   9.479
  163   2HB   HIS  22          2HB       HIS  22  -7.128   1.788  10.388
  164    HD1  HIS  22           HD1      HIS  22  -6.041   4.429   7.967
  165    HD2  HIS  22           HD2      HIS  22  -4.416   1.053   9.854
  166    HE1  HIS  22           HE1      HIS  22  -3.516   4.565   7.625
  167    H    SER  23           H        SER  23 -10.366   1.476   8.059
  168    HA   SER  23           HA       SER  23 -10.977  -0.255  10.255
  169   1HB   SER  23          1HB       SER  23 -13.355   0.293   9.652
  170   2HB   SER  23          2HB       SER  23 -12.369   1.710   9.953
  171    HG   SER  23           HG       SER  23 -13.076   0.627   7.360
  172    H    THR  24           H        THR  24 -10.035  -0.713   7.070
  173    HA   THR  24           HA       THR  24 -11.782  -3.048   6.696
  174    HB   THR  24           HB       THR  24 -10.064  -1.381   4.786
  175    HG1  THR  24           HG1      THR  24 -12.925  -1.989   4.996
  176   1HG2  THR  24          3HG2      THR  24 -11.089  -4.099   4.513
  177   2HG2  THR  24          1HG2      THR  24 -11.979  -3.009   3.423
  178   3HG2  THR  24          2HG2      THR  24 -10.206  -3.123   3.315
  179    H    HIS  25           H        HIS  25  -8.424  -1.967   7.148
  180    HA   HIS  25           HA       HIS  25  -7.571  -4.740   6.855
  181   1HB   HIS  25          1HB       HIS  25  -5.951  -2.185   7.049
  182   2HB   HIS  25          2HB       HIS  25  -5.285  -3.794   6.846
  183    HD1  HIS  25           HD1      HIS  25  -7.552  -1.331   5.000
  184    HD2  HIS  25           HD2      HIS  25  -5.095  -4.643   4.233
  185    HE1  HIS  25           HE1      HIS  25  -7.433  -1.560   2.461
  186    H    LYS  26           H        LYS  26  -9.240  -3.980   9.098
  187    HA   LYS  26           HA       LYS  26  -7.631  -3.434  11.354
  188   1HB   LYS  26          1HB       LYS  26 -10.384  -4.700  11.232
  189   2HB   LYS  26          2HB       LYS  26  -9.641  -3.945  12.627
  190   1HG   LYS  26          1HG       LYS  26  -9.557  -1.765  11.431
  191   2HG   LYS  26          2HG       LYS  26 -10.235  -2.508   9.996
  192   1HD   LYS  26          1HD       LYS  26 -12.209  -1.728  10.903
  193   2HD   LYS  26          2HD       LYS  26 -12.151  -3.260  11.751
  194   1HE   LYS  26          1HE       LYS  26 -10.954  -2.110  13.664
  195   2HE   LYS  26          2HE       LYS  26 -11.141  -0.583  12.825
  196   1HZ   LYS  26          1HZ       LYS  26 -13.593  -1.008  12.861
  197   2HZ   LYS  26          2HZ       LYS  26 -13.345  -2.320  13.794
  198    H    SER  27           H        SER  27  -8.691  -6.401   9.658
  199    HA   SER  27           HA       SER  27  -7.779  -8.093  11.727
  200   1HB   SER  27          1HB       SER  27  -9.214  -8.341   9.240
  201   2HB   SER  27          2HB       SER  27  -7.874  -9.469   9.198
  202    HG   SER  27           HG       SER  27  -9.802  -9.256  11.353
  203    H    VAL  28           H        VAL  28  -6.228  -6.193   9.338
  204    HA   VAL  28           HA       VAL  28  -4.019  -8.024   8.947
  205    HB   VAL  28           HB       VAL  28  -4.382  -5.167   8.028
  206   1HG1  VAL  28          2HG1      VAL  28  -2.088  -6.597   8.026
  207   2HG1  VAL  28          3HG1      VAL  28  -2.779  -7.126   6.474
  208   3HG1  VAL  28          1HG1      VAL  28  -2.500  -5.395   6.780
  209   1HG2  VAL  28          2HG2      VAL  28  -5.249  -7.778   6.763
  210   2HG2  VAL  28          3HG2      VAL  28  -6.236  -6.343   7.130
  211   3HG2  VAL  28          1HG2      VAL  28  -5.024  -6.280   5.828
  212    H    LYS  29           H        LYS  29  -1.942  -7.777   9.819
  213    HA   LYS  29           HA       LYS  29  -1.866  -6.438  12.324
  214   1HB   LYS  29          1HB       LYS  29  -0.342  -8.434  10.898
  215   2HB   LYS  29          2HB       LYS  29   0.740  -7.223  11.554
  216   1HG   LYS  29          1HG       LYS  29  -1.388  -7.970  13.461
  217   2HG   LYS  29          2HG       LYS  29  -0.420  -9.347  12.975
  218   1HD   LYS  29          1HD       LYS  29   0.727  -8.443  14.862
  219   2HD   LYS  29          2HD       LYS  29   1.661  -7.906  13.479
  220   1HE   LYS  29          1HE       LYS  29   0.319  -5.725  13.532
  221   2HE   LYS  29          2HE       LYS  29  -0.390  -6.267  15.040
  222   1HZ   LYS  29          1HZ       LYS  29   1.827  -4.859  15.005
  223   2HZ   LYS  29          2HZ       LYS  29   1.597  -6.000  16.144
  224    H    CYS  30           H        CYS  30  -1.012  -4.467  12.878
  225    HA   CYS  30           HA       CYS  30  -0.781  -2.527  10.937
  226   1HB   CYS  30          1HB       CYS  30   0.599  -2.351  13.607
  227   2HB   CYS  30          2HB       CYS  30  -0.094  -1.059  12.647
  228    H    GLY  31           H        GLY  31   1.547  -4.847  12.300
  229   1HA   GLY  31          1HA       GLY  31   3.884  -3.519  11.279
  230   2HA   GLY  31          2HA       GLY  31   3.782  -5.113  11.999
  231    H    ASP  32           H        ASP  32   1.321  -5.158   9.777
  232    HA   ASP  32           HA       ASP  32   2.875  -6.717   7.996
  233   1HB   ASP  32          1HB       ASP  32   0.424  -7.096   8.693
  234   2HB   ASP  32          2HB       ASP  32   0.001  -5.759   7.643
  235    H    CYS  33           H        CYS  33   1.519  -3.429   8.182
  236    HA   CYS  33           HA       CYS  33   2.344  -2.950   5.416
  237   1HB   CYS  33          1HB       CYS  33   0.162  -1.843   7.116
  238   2HB   CYS  33          2HB       CYS  33   0.958  -0.717   6.035
  239    H    HIS  34           H        HIS  34   2.265  -1.486   8.749
  240    HA   HIS  34           HA       HIS  34   4.324   0.366   8.051
  241   1HB   HIS  34          1HB       HIS  34   3.059  -0.305  10.723
  242   2HB   HIS  34          2HB       HIS  34   4.156   1.030  10.432
  243    HD1  HIS  34           HD1      HIS  34   3.256   2.998   8.850
  244    HD2  HIS  34           HD2      HIS  34   0.403   0.154  10.020
  245    HE1  HIS  34           HE1      HIS  34   0.974   4.032   8.363
  246    H    HIS  35           H        HIS  35   5.471  -1.898   7.306
  247    HA   HIS  35           HA       HIS  35   6.605  -3.610   9.024
  248   1HB   HIS  35          1HB       HIS  35   8.381  -3.905   7.414
  249   2HB   HIS  35          2HB       HIS  35   6.854  -3.674   6.586
  250    HD1  HIS  35           HD1      HIS  35  10.047  -1.771   7.436
  251    HD2  HIS  35           HD2      HIS  35   6.792  -1.561   4.798
  252    HE1  HIS  35           HE1      HIS  35  10.593   0.085   5.772
  253    HA   PRO  36           HA       PRO  36   9.269  -1.374  11.594
  254   1HB   PRO  36          1HB       PRO  36  10.997  -3.329  12.408
  255   2HB   PRO  36          2HB       PRO  36   9.400  -3.114  13.097
  256   1HG   PRO  36          1HG       PRO  36  10.338  -5.179  11.202
  257   2HG   PRO  36          2HG       PRO  36   8.908  -5.187  12.215
  258   1HD   PRO  36          1HD       PRO  36   9.010  -4.676   9.394
  259   2HD   PRO  36          2HD       PRO  36   7.599  -4.570  10.428
  260    H    VAL  37           H        VAL  37  10.696   0.182  11.177
  261    HA   VAL  37           HA       VAL  37  12.833  -0.633   9.329
  262    HB   VAL  37           HB       VAL  37  11.492   2.057   9.673
  263   1HG1  VAL  37          2HG1      VAL  37  13.870   2.277   9.105
  264   2HG1  VAL  37          3HG1      VAL  37  13.649   1.178   7.722
  265   3HG1  VAL  37          1HG1      VAL  37  12.835   2.761   7.740
  266   1HG2  VAL  37          2HG2      VAL  37  11.154  -0.180   7.695
  267   2HG2  VAL  37          3HG2      VAL  37   9.926   0.840   8.482
  268   3HG2  VAL  37          1HG2      VAL  37  10.925   1.504   7.167
  269    H    ASN  38           H        ASN  38  14.803  -0.734  10.262
  270    HA   ASN  38           HA       ASN  38  16.553  -0.003  11.389
  271   1HB   ASN  38          1HB       ASN  38  15.215   2.325  11.467
  272   2HB   ASN  38          2HB       ASN  38  14.945   1.882  13.141
  273   1HD2  ASN  38          2HD2      ASN  38  17.948   3.321  14.067
  274   2HD2  ASN  38          1HD2      ASN  38  16.236   3.145  14.268
  275    H    GLY  39           H        GLY  39  13.658  -1.349  12.429
  276   1HA   GLY  39          1HA       GLY  39  13.636  -3.121  13.981
  277   2HA   GLY  39          2HA       GLY  39  14.879  -2.322  14.923
  278    H    LYS  40           H        LYS  40  12.897   0.181  13.989
  279    HA   LYS  40           HA       LYS  40  11.358  -0.047  16.473
  280   1HB   LYS  40          1HB       LYS  40  11.323   2.348  16.537
  281   2HB   LYS  40          2HB       LYS  40  12.979   1.829  16.296
  282   1HG   LYS  40          1HG       LYS  40  12.812   2.284  13.870
  283   2HG   LYS  40          2HG       LYS  40  11.115   2.690  14.034
  284   1HD   LYS  40          1HD       LYS  40  11.555   4.728  15.120
  285   2HD   LYS  40          2HD       LYS  40  13.100   4.188  15.745
  286   1HE   LYS  40          1HE       LYS  40  13.547   4.051  13.012
  287   2HE   LYS  40          2HE       LYS  40  12.452   5.415  13.112
  288   1HZ   LYS  40          1HZ       LYS  40  14.685   6.213  13.400
  289   2HZ   LYS  40          2HZ       LYS  40  13.967   6.343  14.856
  290    H    GLU  41           H        GLU  41   9.104   0.367  16.479
  291    HA   GLU  41           HA       GLU  41   7.961   0.268  13.797
  292   1HB   GLU  41          1HB       GLU  41   7.608  -1.478  16.036
  293   2HB   GLU  41          2HB       GLU  41   6.098  -0.611  15.837
  294   1HG   GLU  41          1HG       GLU  41   6.734  -1.227  13.205
  295   2HG   GLU  41          2HG       GLU  41   7.373  -2.620  14.054
  296    H    ASP  42           H        ASP  42   6.635   1.943  13.199
  297    HA   ASP  42           HA       ASP  42   5.306   3.408  15.292
  298   1HB   ASP  42          1HB       ASP  42   7.706   4.367  14.198
  299   2HB   ASP  42          2HB       ASP  42   6.485   5.201  13.257
  300    H    TYR  43           H        TYR  43   3.753   5.112  14.161
  301    HA   TYR  43           HA       TYR  43   2.738   3.860  11.708
  302   1HB   TYR  43          1HB       TYR  43   1.510   5.757  13.806
  303   2HB   TYR  43          2HB       TYR  43   0.615   5.016  12.494
  304    HD1  TYR  43           HD1      TYR  43   2.341   2.309  12.955
  305    HD2  TYR  43           HD2      TYR  43  -0.160   4.792  15.381
  306    HE1  TYR  43           HE1      TYR  43   1.804   0.322  14.447
  307    HE2  TYR  43           HE2      TYR  43  -0.688   2.797  16.865
  308    HH   TYR  43           HH       TYR  43  -0.091   0.739  17.390
  309    H    ARG  44           H        ARG  44   4.067   4.957  10.177
  310    HA   ARG  44           HA       ARG  44   3.493   7.811  10.080
  311   1HB   ARG  44          1HB       ARG  44   6.036   6.456  10.141
  312   2HB   ARG  44          2HB       ARG  44   5.861   7.142   8.538
  313   1HG   ARG  44          1HG       ARG  44   5.526   9.373   9.421
  314   2HG   ARG  44          2HG       ARG  44   5.310   8.772  11.053
  315   1HD   ARG  44          1HD       ARG  44   7.840   7.771  10.266
  316   2HD   ARG  44          2HD       ARG  44   7.799   9.401   9.624
  317    HE   ARG  44           HE       ARG  44   7.976   8.664  12.417
  318   1HH1  ARG  44          2HH2      ARG  44   6.640  11.141  10.265
  319   2HH1  ARG  44          1HH2      ARG  44   6.643  12.375  11.480
  320    HH2  ARG  44           HH1      ARG  44   7.434  11.854  13.681
  321    H    LYS  45           H        LYS  45   3.944   8.635   7.642
  322    HA   LYS  45           HA       LYS  45   2.237   7.002   5.998
  323   1HB   LYS  45          1HB       LYS  45   3.489   9.735   5.618
  324   2HB   LYS  45          2HB       LYS  45   2.477   8.957   4.418
  325   1HG   LYS  45          1HG       LYS  45   0.863  10.177   5.575
  326   2HG   LYS  45          2HG       LYS  45   0.783   8.662   6.451
  327   1HD   LYS  45          1HD       LYS  45   1.765   9.539   8.353
  328   2HD   LYS  45          2HD       LYS  45   2.831  10.596   7.449
  329   1HE   LYS  45          1HE       LYS  45   0.488  11.802   6.829
  330   2HE   LYS  45          2HE       LYS  45  -0.005  11.071   8.343
  331   1HZ   LYS  45          1HZ       LYS  45   1.352  13.401   8.150
  332   2HZ   LYS  45          2HZ       LYS  45   1.299  12.494   9.501
  333    H    CYS  46           H        CYS  46   2.816   5.809   4.203
  334    HA   CYS  46           HA       CYS  46   5.397   4.831   4.087
  335   1HB   CYS  46          1HB       CYS  46   3.570   4.803   1.703
  336   2HB   CYS  46          2HB       CYS  46   4.720   3.590   2.229
  337    H    GLY  47           H        GLY  47   3.658   7.270   2.027
  338   1HA   GLY  47          1HA       GLY  47   5.998   7.871   0.475
  339   2HA   GLY  47          2HA       GLY  47   4.447   8.686   0.441
  340    H    THR  48           H        THR  48   6.902   8.115   3.067
  341    HA   THR  48           HA       THR  48   6.659  10.943   3.768
  342    HB   THR  48           HB       THR  48   7.489   8.375   5.138
  343    HG1  THR  48           HG1      THR  48   5.490   9.037   5.845
  344   1HG2  THR  48          2HG2      THR  48   8.219  11.212   6.040
  345   2HG2  THR  48          3HG2      THR  48   8.293   9.764   7.074
  346   3HG2  THR  48          1HG2      THR  48   9.375   9.910   5.668
  347    H    ALA  49           H        ALA  49   8.214  12.438   3.454
  348    HA   ALA  49           HA       ALA  49  10.221  11.981   1.618
  349   1HB   ALA  49          2HB       ALA  49   9.144  14.171   2.494
  350   2HB   ALA  49          3HB       ALA  49  10.367  14.092   3.784
  351   3HB   ALA  49          1HB       ALA  49  10.875  14.202   2.082
  352    H    GLY  50           H        GLY  50  11.775  10.432   1.853
  353   1HA   GLY  50          1HA       GLY  50  14.007  10.234   2.851
  354   2HA   GLY  50          2HA       GLY  50  13.249  10.417   4.421
  355    H    CYS  51           H        CYS  51  10.887   8.768   2.915
  356    HA   CYS  51           HA       CYS  51  12.072   6.196   3.653
  357   1HB   CYS  51          1HB       CYS  51   9.189   7.137   3.700
  358   2HB   CYS  51          2HB       CYS  51   9.660   5.462   3.908
  359    H    HIS  52           H        HIS  52   9.030   6.642   1.846
  360    HA   HIS  52           HA       HIS  52  10.341   5.395  -0.450
  361   1HB   HIS  52          1HB       HIS  52   7.459   5.392   0.477
  362   2HB   HIS  52          2HB       HIS  52   7.969   4.779  -1.083
  363    HD1  HIS  52           HD1      HIS  52   9.921   2.788  -0.896
  364    HD2  HIS  52           HD2      HIS  52   7.521   3.514   2.466
  365    HE1  HIS  52           HE1      HIS  52  10.110   0.715   0.578
  366    H    ASP  53           H        ASP  53  11.189   7.708  -0.811
  367    HA   ASP  53           HA       ASP  53   9.173   9.090  -2.393
  368   1HB   ASP  53          1HB       ASP  53  10.006  10.145  -0.080
  369   2HB   ASP  53          2HB       ASP  53  11.409  10.602  -1.025
  370    H    SER  54           H        SER  54  10.274   7.700  -4.121
  371    HA   SER  54           HA       SER  54  12.887   8.802  -4.802
  372   1HB   SER  54          1HB       SER  54  13.361   6.715  -5.971
  373   2HB   SER  54          2HB       SER  54  12.856   6.347  -4.333
  374    HG   SER  54           HG       SER  54  10.769   5.770  -5.101
  375    H    MET  55           H        MET  55   9.577   8.000  -5.884
  376    HA   MET  55           HA       MET  55   8.389   8.637  -7.589
  377   1HB   MET  55          1HB       MET  55  10.331  10.806  -7.195
  378   2HB   MET  55          2HB       MET  55   9.909  10.687  -8.891
  379   1HG   MET  55          1HG       MET  55   8.106  11.977  -8.295
  380   2HG   MET  55          2HG       MET  55   7.413  10.456  -7.769
  381   1HE   MET  55          3HE       MET  55   7.569   9.454  -5.755
  382   2HE   MET  55          1HE       MET  55   8.035  10.131  -4.176
  383   3HE   MET  55          2HE       MET  55   6.448  10.523  -4.880
  384    H    ASP  56           H        ASP  56  10.392   6.528  -7.938
  385    HA   ASP  56           HA       ASP  56  10.986   6.923 -10.765
  386   1HB   ASP  56          1HB       ASP  56  12.275   4.903  -8.878
  387   2HB   ASP  56          2HB       ASP  56  12.802   5.307 -10.500
  388    H    LYS  57           H        LYS  57   8.551   6.233 -10.883
  389    HA   LYS  57           HA       LYS  57   7.487   3.918 -10.038
  390   1HB   LYS  57          1HB       LYS  57   6.072   5.359 -11.195
  391   2HB   LYS  57          2HB       LYS  57   7.148   5.498 -12.571
  392   1HG   LYS  57          1HG       LYS  57   6.223   2.721 -12.034
  393   2HG   LYS  57          2HG       LYS  57   4.935   3.833 -12.452
  394   1HD   LYS  57          1HD       LYS  57   6.772   4.544 -14.349
  395   2HD   LYS  57          2HD       LYS  57   7.230   2.868 -14.121
  396   1HE   LYS  57          1HE       LYS  57   5.545   2.367 -15.573
  397   2HE   LYS  57          2HE       LYS  57   4.455   2.687 -14.239
  398   1HZ   LYS  57          1HZ       LYS  57   3.650   4.323 -15.541
  399   2HZ   LYS  57          2HZ       LYS  57   5.009   5.172 -15.250
  400    H    LYS  58           H        LYS  58   9.515   4.320 -13.020
  401    HA   LYS  58           HA       LYS  58   9.658   1.419 -13.215
  402   1HB   LYS  58          1HB       LYS  58   9.105   2.690 -15.233
  403   2HB   LYS  58          2HB       LYS  58  10.587   3.614 -15.090
  404   1HG   LYS  58          1HG       LYS  58  11.792   1.277 -15.103
  405   2HG   LYS  58          2HG       LYS  58  10.272   0.658 -15.717
  406   1HD   LYS  58          1HD       LYS  58  11.245   3.117 -17.092
  407   2HD   LYS  58          2HD       LYS  58  12.283   1.719 -17.288
  408   1HE   LYS  58          1HE       LYS  58   9.733   0.635 -17.670
  409   2HE   LYS  58          2HE       LYS  58   9.581   2.225 -18.392
  410   1HZ   LYS  58          1HZ       LYS  58  11.205   1.738 -19.957
  411   2HZ   LYS  58          2HZ       LYS  58  11.955   0.617 -19.045
  412    H    ASP  59           H        ASP  59  10.935   0.964 -11.346
  413    HA   ASP  59           HA       ASP  59  13.708   1.266 -11.889
  414   1HB   ASP  59          1HB       ASP  59  13.459   3.359 -10.724
  415   2HB   ASP  59          2HB       ASP  59  12.383   2.657  -9.531
  416    H    LYS  60           H        LYS  60  11.363   0.711  -9.142
  417    HA   LYS  60           HA       LYS  60  11.035  -0.996  -7.784
  418   1HB   LYS  60          1HB       LYS  60  12.267  -2.627 -10.025
  419   2HB   LYS  60          2HB       LYS  60  11.426  -3.298  -8.642
  420   1HG   LYS  60          1HG       LYS  60   9.330  -2.416  -9.313
  421   2HG   LYS  60          2HG       LYS  60  10.057  -1.178 -10.317
  422   1HD   LYS  60          1HD       LYS  60  10.612  -4.042 -11.057
  423   2HD   LYS  60          2HD       LYS  60   8.992  -3.442 -11.351
  424   1HE   LYS  60          1HE       LYS  60   9.714  -1.837 -12.918
  425   2HE   LYS  60          2HE       LYS  60  11.327  -1.742 -12.240
  426   1HZ   LYS  60          1HZ       LYS  60  12.005  -3.516 -13.471
  427   2HZ   LYS  60          2HZ       LYS  60  10.614  -4.345 -13.309
  428    H    SER  61           H        SER  61  12.040  -1.578  -5.907
  429    HA   SER  61           HA       SER  61  14.460  -2.730  -5.663
  430   1HB   SER  61          1HB       SER  61  14.847  -0.044  -6.498
  431   2HB   SER  61          2HB       SER  61  15.230  -0.052  -4.788
  432    HG   SER  61           HG       SER  61  17.143  -0.639  -5.721
  433    H    ALA  62           H        ALA  62  13.087   0.305  -4.175
  434    HA   ALA  62           HA       ALA  62  11.807  -1.006  -2.076
  435   1HB   ALA  62          3HB       ALA  62  14.358  -1.426  -1.616
  436   2HB   ALA  62          1HB       ALA  62  14.358   0.276  -1.094
  437   3HB   ALA  62          2HB       ALA  62  13.302  -0.905  -0.282
  438    H    LYS  63           H        LYS  63  13.846   1.896  -2.857
  439    HA   LYS  63           HA       LYS  63  12.221   3.669  -1.401
  440   1HB   LYS  63          1HB       LYS  63  14.204   4.143  -3.645
  441   2HB   LYS  63          2HB       LYS  63  13.472   5.412  -2.684
  442   1HG   LYS  63          1HG       LYS  63  14.376   3.739  -0.691
  443   2HG   LYS  63          2HG       LYS  63  15.579   3.435  -1.928
  444   1HD   LYS  63          1HD       LYS  63  16.406   5.613  -1.872
  445   2HD   LYS  63          2HD       LYS  63  14.859   6.310  -1.435
  446   1HE   LYS  63          1HE       LYS  63  15.906   4.494   0.651
  447   2HE   LYS  63          2HE       LYS  63  16.997   5.823   0.314
  448   1HZ   LYS  63          1HZ       LYS  63  15.270   7.385   0.796
  449   2HZ   LYS  63          2HZ       LYS  63  14.106   6.247   0.828
  450    H    GLY  64           H        GLY  64  11.757   1.979  -4.376
  451   1HA   GLY  64          1HA       GLY  64  10.241   3.865  -5.818
  452   2HA   GLY  64          2HA       GLY  64  10.210   2.123  -6.001
  453    H    TYR  65           H        TYR  65   8.703   4.937  -4.474
  454    HA   TYR  65           HA       TYR  65   7.041   3.747  -2.640
  455   1HB   TYR  65          1HB       TYR  65   7.301   6.194  -2.999
  456   2HB   TYR  65          2HB       TYR  65   6.741   6.054  -4.654
  457    HD1  TYR  65           HD1      TYR  65   5.604   5.600  -1.120
  458    HD2  TYR  65           HD2      TYR  65   4.474   6.391  -5.170
  459    HE1  TYR  65           HE1      TYR  65   3.229   6.107  -0.366
  460    HE2  TYR  65           HE2      TYR  65   2.103   6.896  -4.402
  461    HH   TYR  65           HH       TYR  65   1.318   7.532  -1.280
  462    H    TYR  66           H        TYR  66   6.677   4.035  -6.212
  463    HA   TYR  66           HA       TYR  66   4.041   2.890  -6.139
  464   1HB   TYR  66          1HB       TYR  66   4.519   4.450  -7.918
  465   2HB   TYR  66          2HB       TYR  66   6.145   3.834  -8.135
  466    HD1  TYR  66           HD1      TYR  66   6.470   1.590  -9.281
  467    HD2  TYR  66           HD2      TYR  66   2.705   3.620  -9.215
  468    HE1  TYR  66           HE1      TYR  66   5.668   0.181 -11.239
  469    HE2  TYR  66           HE2      TYR  66   1.915   2.203 -11.173
  470    HH   TYR  66           HH       TYR  66   3.290   0.944 -13.152
  471    H    HIS  67           H        HIS  67   7.025   1.571  -5.540
  472    HA   HIS  67           HA       HIS  67   6.483  -0.846  -7.079
  473   1HB   HIS  67          1HB       HIS  67   8.672  -0.494  -7.486
  474   2HB   HIS  67          2HB       HIS  67   8.901   0.491  -6.055
  475    HD1  HIS  67           HD1      HIS  67   9.324  -2.964  -7.356
  476    HD2  HIS  67           HD2      HIS  67   9.457  -1.014  -3.644
  477    HE1  HIS  67           HE1      HIS  67  10.460  -4.580  -5.740
  478    H    VAL  68           H        VAL  68   6.363   0.574  -3.876
  479    HA   VAL  68           HA       VAL  68   6.179  -2.055  -2.634
  480    HB   VAL  68           HB       VAL  68   5.966  -0.560  -0.555
  481   1HG1  VAL  68          2HG1      VAL  68   8.019  -1.841  -1.465
  482   2HG1  VAL  68          3HG1      VAL  68   8.598  -0.244  -2.000
  483   3HG1  VAL  68          1HG1      VAL  68   8.292  -0.548  -0.273
  484   1HG2  VAL  68          3HG2      VAL  68   5.490   1.489  -2.088
  485   2HG2  VAL  68          1HG2      VAL  68   6.532   1.699  -0.660
  486   3HG2  VAL  68          2HG2      VAL  68   7.259   1.548  -2.278
  487    H    MET  69           H        MET  69   4.182  -0.375  -4.518
  488    HA   MET  69           HA       MET  69   1.899  -0.838  -2.756
  489   1HB   MET  69          1HB       MET  69   2.101   1.085  -5.140
  490   2HB   MET  69          2HB       MET  69   0.744   0.957  -4.038
  491   1HG   MET  69          1HG       MET  69   3.477   1.541  -2.881
  492   2HG   MET  69          2HG       MET  69   2.628   2.836  -3.701
  493   1HE   MET  69          3HE       MET  69   3.705   2.444  -0.956
  494   2HE   MET  69          1HE       MET  69   2.510   3.092   0.193
  495   3HE   MET  69          2HE       MET  69   2.784   1.336   0.089
  496    H    HIS  70           H        HIS  70   3.599  -1.837  -5.554
  497    HA   HIS  70           HA       HIS  70   1.252  -3.352  -6.396
  498   1HB   HIS  70          1HB       HIS  70   3.178  -2.145  -8.386
  499   2HB   HIS  70          2HB       HIS  70   1.653  -2.947  -8.706
  500    HD1  HIS  70           HD1      HIS  70   2.977   0.260  -7.103
  501    HD2  HIS  70           HD2      HIS  70  -0.536  -1.274  -8.808
  502    HE1  HIS  70           HE1      HIS  70   1.350   2.218  -7.274
  503    H    ASP  71           H        ASP  71   4.797  -2.932  -7.114
  504    HA   ASP  71           HA       ASP  71   5.447  -5.325  -7.944
  505   1HB   ASP  71          1HB       ASP  71   6.857  -3.211  -6.967
  506   2HB   ASP  71          2HB       ASP  71   7.140  -4.344  -5.660
  507    H    LYS  72           H        LYS  72   5.082  -7.424  -7.209
  508    HA   LYS  72           HA       LYS  72   4.335  -7.769  -4.425
  509   1HB   LYS  72          1HB       LYS  72   4.293  -9.787  -6.686
  510   2HB   LYS  72          2HB       LYS  72   3.523  -9.939  -5.119
  511   1HG   LYS  72          1HG       LYS  72   1.675  -8.996  -6.040
  512   2HG   LYS  72          2HG       LYS  72   2.554  -7.481  -6.080
  513   1HD   LYS  72          1HD       LYS  72   3.537  -8.802  -8.336
  514   2HD   LYS  72          2HD       LYS  72   1.862  -9.314  -8.302
  515   1HE   LYS  72          1HE       LYS  72   1.295  -6.783  -7.940
  516   2HE   LYS  72          2HE       LYS  72   2.946  -6.474  -8.441
  517   1HZ   LYS  72          1HZ       LYS  72   0.915  -7.927 -10.052
  518   2HZ   LYS  72          2HZ       LYS  72   1.467  -6.425 -10.352
  519    H    ASN  73           H        ASN  73   7.026  -8.270  -6.638
  520    HA   ASN  73           HA       ASN  73   8.253 -10.241  -5.014
  521   1HB   ASN  73          1HB       ASN  73   9.240  -8.498  -7.324
  522   2HB   ASN  73          2HB       ASN  73  10.284  -9.656  -6.525
  523   1HD2  ASN  73          2HD2      ASN  73   9.014 -12.504  -8.057
  524   2HD2  ASN  73          1HD2      ASN  73  10.101 -11.789  -6.914
  525    H    THR  74           H        THR  74   7.989  -8.807  -2.969
  526    HA   THR  74           HA       THR  74  10.360  -7.096  -2.713
  527    HB   THR  74           HB       THR  74   8.900  -5.518  -1.369
  528    HG1  THR  74           HG1      THR  74   6.858  -7.215  -2.620
  529   1HG2  THR  74          1HG2      THR  74   9.041  -5.691  -4.169
  530   2HG2  THR  74          2HG2      THR  74   7.291  -5.657  -3.848
  531   3HG2  THR  74          3HG2      THR  74   8.330  -4.339  -3.255
  532    H    LYS  75           H        LYS  75  11.085  -6.816  -0.459
  533    HA   LYS  75           HA       LYS  75  11.143  -9.320   0.821
  534   1HB   LYS  75          1HB       LYS  75  13.018  -7.773   0.892
  535   2HB   LYS  75          2HB       LYS  75  12.051  -6.573   1.725
  536   1HG   LYS  75          1HG       LYS  75  11.982  -7.816   3.736
  537   2HG   LYS  75          2HG       LYS  75  12.299  -9.339   2.928
  538   1HD   LYS  75          1HD       LYS  75  14.521  -9.106   3.302
  539   2HD   LYS  75          2HD       LYS  75  14.538  -7.603   2.403
  540   1HE   LYS  75          1HE       LYS  75  13.447  -6.671   4.706
  541   2HE   LYS  75          2HE       LYS  75  14.316  -8.040   5.371
  542   1HZ   LYS  75          1HZ       LYS  75  16.185  -6.832   5.207
  543   2HZ   LYS  75          2HZ       LYS  75  16.038  -6.734   3.588
  544    H    PHE  76           H        PHE  76   8.995  -6.541   0.993
  545    HA   PHE  76           HA       PHE  76   7.690  -7.791   3.318
  546   1HB   PHE  76          1HB       PHE  76   7.881  -4.898   2.271
  547   2HB   PHE  76          2HB       PHE  76   6.858  -5.355   3.618
  548    HD1  PHE  76           HD2      PHE  76   8.219  -6.782   5.509
  549    HD2  PHE  76           HD1      PHE  76   9.917  -3.934   2.805
  550    HE1  PHE  76           HE2      PHE  76  10.165  -6.416   7.104
  551    HE2  PHE  76           HE1      PHE  76  11.857  -3.579   4.409
  552    HZ   PHE  76           HZ       PHE  76  11.902  -4.913   6.572
  553    H    LYS  77           H        LYS  77   5.312  -7.614   3.378
  554    HA   LYS  77           HA       LYS  77   4.186  -8.331   0.912
  555   1HB   LYS  77          1HB       LYS  77   3.097  -7.726   3.655
  556   2HB   LYS  77          2HB       LYS  77   2.009  -7.996   2.309
  557   1HG   LYS  77          1HG       LYS  77   2.911 -10.216   1.905
  558   2HG   LYS  77          2HG       LYS  77   4.257  -9.939   2.993
  559   1HD   LYS  77          1HD       LYS  77   2.579  -9.680   4.893
  560   2HD   LYS  77          2HD       LYS  77   1.312 -10.144   3.775
  561   1HE   LYS  77          1HE       LYS  77   3.240 -12.147   3.403
  562   2HE   LYS  77          2HE       LYS  77   3.329 -11.831   5.124
  563   1HZ   LYS  77          1HZ       LYS  77   0.962 -12.231   5.306
  564   2HZ   LYS  77          2HZ       LYS  77   0.783 -12.372   3.693
  565    H    SER  78           H        SER  78   3.350  -7.142  -0.729
  566    HA   SER  78           HA       SER  78   3.280  -4.281  -0.280
  567   1HB   SER  78          1HB       SER  78   3.636  -4.011  -2.582
  568   2HB   SER  78          2HB       SER  78   4.536  -5.476  -2.241
  569    HG   SER  78           HG       SER  78   3.158  -5.652  -4.147
  570    H    CYS  79           H        CYS  79   1.428  -3.039  -1.359
  571    HA   CYS  79           HA       CYS  79  -0.971  -3.756  -0.350
  572   1HB   CYS  79          1HB       CYS  79  -0.551  -2.177  -2.895
  573   2HB   CYS  79          2HB       CYS  79  -1.980  -2.152  -1.882
  574    H    VAL  80           H        VAL  80  -0.118  -3.974  -3.890
  575    HA   VAL  80           HA       VAL  80  -2.272  -5.671  -4.482
  576    HB   VAL  80           HB       VAL  80   0.319  -5.070  -5.917
  577   1HG1  VAL  80          3HG1      VAL  80  -2.139  -6.576  -6.859
  578   2HG1  VAL  80          1HG1      VAL  80  -0.913  -5.898  -7.957
  579   3HG1  VAL  80          2HG1      VAL  80  -0.459  -7.160  -6.787
  580   1HG2  VAL  80          1HG2      VAL  80  -2.270  -3.698  -5.650
  581   2HG2  VAL  80          2HG2      VAL  80  -0.684  -3.072  -6.162
  582   3HG2  VAL  80          3HG2      VAL  80  -1.732  -3.907  -7.334
  583    H    GLY  81           H        GLY  81   1.097  -6.224  -3.427
  584   1HA   GLY  81          1HA       GLY  81   1.432  -8.881  -4.068
  585   2HA   GLY  81          2HA       GLY  81   2.115  -8.080  -2.668
  586    H    CYS  82           H        CYS  82   0.181  -7.558  -0.911
  587    HA   CYS  82           HA       CYS  82  -0.512 -10.074   0.071
  588   1HB   CYS  82          1HB       CYS  82  -0.140  -8.104   1.504
  589   2HB   CYS  82          2HB       CYS  82  -1.581  -7.343   0.860
  590    H    HIS  83           H        HIS  83  -2.331  -7.478  -1.675
  591    HA   HIS  83           HA       HIS  83  -4.847  -8.549  -1.497
  592   1HB   HIS  83          1HB       HIS  83  -3.457  -6.818  -3.524
  593   2HB   HIS  83          2HB       HIS  83  -5.093  -7.368  -3.825
  594    HD1  HIS  83           HD1      HIS  83  -5.985  -4.912  -3.635
  595    HD2  HIS  83           HD2      HIS  83  -4.194  -6.390  -0.141
  596    HE1  HIS  83           HE1      HIS  83  -6.613  -3.289  -1.768
  597    H    VAL  84           H        VAL  84  -2.196  -9.269  -3.838
  598    HA   VAL  84           HA       VAL  84  -3.646 -10.929  -5.515
  599    HB   VAL  84           HB       VAL  84  -0.731 -10.933  -4.712
  600   1HG1  VAL  84          3HG1      VAL  84  -1.326 -13.108  -5.662
  601   2HG1  VAL  84          1HG1      VAL  84  -2.073 -12.308  -7.066
  602   3HG1  VAL  84          2HG1      VAL  84  -0.318 -12.180  -6.798
  603   1HG2  VAL  84          2HG2      VAL  84  -2.215  -9.039  -6.119
  604   2HG2  VAL  84          3HG2      VAL  84  -0.444  -9.211  -6.113
  605   3HG2  VAL  84          1HG2      VAL  84  -1.409  -9.990  -7.390
  606    H    GLU  85           H        GLU  85  -2.095 -11.522  -2.338
  607    HA   GLU  85           HA       GLU  85  -2.482 -14.317  -2.502
  608   1HB   GLU  85          1HB       GLU  85  -1.391 -12.364  -0.564
  609   2HB   GLU  85          2HB       GLU  85  -2.187 -13.725   0.202
  610   1HG   GLU  85          1HG       GLU  85  -0.577 -14.710  -2.003
  611   2HG   GLU  85          2HG       GLU  85   0.413 -13.658  -1.011
  612    H    VAL  86           H        VAL  86  -4.332 -11.517  -1.298
  613    HA   VAL  86           HA       VAL  86  -6.202 -13.102   0.161
  614    HB   VAL  86           HB       VAL  86  -6.289 -10.243  -0.825
  615   1HG1  VAL  86          1HG1      VAL  86  -8.502 -11.462  -0.190
  616   2HG1  VAL  86          2HG1      VAL  86  -7.900 -11.326   1.480
  617   3HG1  VAL  86          3HG1      VAL  86  -8.162  -9.859   0.506
  618   1HG2  VAL  86          1HG2      VAL  86  -4.858 -11.549   1.352
  619   2HG2  VAL  86          2HG2      VAL  86  -4.713  -9.891   0.722
  620   3HG2  VAL  86          3HG2      VAL  86  -5.948 -10.273   1.946
  621    H    ALA  87           H        ALA  87  -6.312 -11.263  -2.974
  622    HA   ALA  87           HA       ALA  87  -8.856 -12.238  -3.669
  623   1HB   ALA  87          3HB       ALA  87  -7.378 -10.208  -4.524
  624   2HB   ALA  87          1HB       ALA  87  -6.818 -11.403  -5.719
  625   3HB   ALA  87          2HB       ALA  87  -8.548 -11.000  -5.608
  626    H    GLY  88           H        GLY  88  -5.495 -13.365  -4.262
  627   1HA   GLY  88          1HA       GLY  88  -4.721 -15.191  -5.367
  628   2HA   GLY  88          2HA       GLY  88  -5.891 -16.008  -4.350
  629    H    ALA  89           H        ALA  89  -7.241 -17.358  -5.440
  630    HA   ALA  89           HA       ALA  89  -7.903 -16.614  -8.207
  631   1HB   ALA  89          3HB       ALA  89  -7.141 -19.172  -6.871
  632   2HB   ALA  89          1HB       ALA  89  -8.418 -19.267  -8.107
  633   3HB   ALA  89          2HB       ALA  89  -6.820 -18.607  -8.528
  634    H    ASP  90           H        ASP  90  -9.471 -15.217  -6.695
  635    HA   ASP  90           HA       ASP  90 -11.779 -16.897  -6.116
  636   1HB   ASP  90          1HB       ASP  90 -10.614 -15.252  -4.376
  637   2HB   ASP  90          2HB       ASP  90 -11.500 -14.010  -5.238
  638    H    ALA  91           H        ALA  91 -10.379 -14.480  -8.191
  639    HA   ALA  91           HA       ALA  91 -11.136 -13.291  -9.895
  640   1HB   ALA  91          2HB       ALA  91 -12.474 -15.711 -10.011
  641   2HB   ALA  91          3HB       ALA  91 -13.803 -14.531 -10.101
  642   3HB   ALA  91          1HB       ALA  91 -12.477 -14.469 -11.286
  643    H    ALA  92           H        ALA  92 -12.349 -11.380 -10.339
  644    HA   ALA  92           HA       ALA  92 -13.838  -9.749  -9.954
  645   1HB   ALA  92          1HB       ALA  92 -15.267 -11.779  -8.987
  646   2HB   ALA  92          2HB       ALA  92 -14.895 -10.995  -7.433
  647   3HB   ALA  92          3HB       ALA  92 -15.754 -10.091  -8.703
  648    H    LYS  93           H        LYS  93 -12.459 -11.214  -6.934
  649    HA   LYS  93           HA       LYS  93 -12.143  -8.720  -5.657
  650   1HB   LYS  93          1HB       LYS  93 -10.916 -11.445  -5.152
  651   2HB   LYS  93          2HB       LYS  93 -10.683 -10.061  -4.103
  652   1HG   LYS  93          1HG       LYS  93 -13.526 -10.444  -4.747
  653   2HG   LYS  93          2HG       LYS  93 -12.837 -11.887  -4.032
  654   1HD   LYS  93          1HD       LYS  93 -11.897 -10.450  -2.162
  655   2HD   LYS  93          2HD       LYS  93 -12.730  -9.071  -2.853
  656   1HE   LYS  93          1HE       LYS  93 -14.856  -9.878  -2.275
  657   2HE   LYS  93          2HE       LYS  93 -14.353 -11.556  -2.317
  658   1HZ   LYS  93          1HZ       LYS  93 -13.952 -11.443  -0.124
  659   2HZ   LYS  93          2HZ       LYS  93 -12.893 -10.219  -0.306
  660    H    LYS  94           H        LYS  94  -9.970 -10.833  -7.618
  661    HA   LYS  94           HA       LYS  94  -7.694  -9.227  -7.263
  662   1HB   LYS  94          1HB       LYS  94  -8.029 -11.690  -8.150
  663   2HB   LYS  94          2HB       LYS  94  -8.121 -10.906  -9.714
  664   1HG   LYS  94          1HG       LYS  94  -5.911 -10.075  -9.586
  665   2HG   LYS  94          2HG       LYS  94  -5.871 -10.153  -7.835
  666   1HD   LYS  94          1HD       LYS  94  -4.610 -12.040  -8.271
  667   2HD   LYS  94          2HD       LYS  94  -6.193 -12.790  -8.308
  668   1HE   LYS  94          1HE       LYS  94  -6.231 -12.935 -10.658
  669   2HE   LYS  94          2HE       LYS  94  -5.127 -11.590 -10.868
  670   1HZ   LYS  94          1HZ       LYS  94  -4.448 -14.267 -10.844
  671   2HZ   LYS  94          2HZ       LYS  94  -3.405 -13.016 -10.846
  672    H    LYS  95           H        LYS  95 -10.649  -8.602  -8.832
  673    HA   LYS  95           HA       LYS  95  -9.379  -6.807 -10.759
  674   1HB   LYS  95          1HB       LYS  95 -11.488  -8.571 -11.026
  675   2HB   LYS  95          2HB       LYS  95 -12.308  -7.040 -10.798
  676   1HG   LYS  95          1HG       LYS  95 -11.307  -6.059 -12.710
  677   2HG   LYS  95          2HG       LYS  95  -9.968  -7.190 -12.715
  678   1HD   LYS  95          1HD       LYS  95 -12.624  -8.487 -13.021
  679   2HD   LYS  95          2HD       LYS  95 -12.229  -7.380 -14.320
  680   1HE   LYS  95          1HE       LYS  95  -9.911  -9.041 -13.620
  681   2HE   LYS  95          2HE       LYS  95 -11.299 -10.037 -14.014
  682   1HZ   LYS  95          1HZ       LYS  95 -10.540  -9.625 -16.117
  683   2HZ   LYS  95          2HZ       LYS  95 -11.435  -8.271 -15.993
  684    H    ASP  96           H        ASP  96 -10.746  -6.914  -7.607
  685    HA   ASP  96           HA       ASP  96 -11.195  -4.036  -7.768
  686   1HB   ASP  96          1HB       ASP  96 -12.830  -6.199  -6.684
  687   2HB   ASP  96          2HB       ASP  96 -12.410  -5.080  -5.402
  688    H    LEU  97           H        LEU  97  -8.982  -6.305  -6.914
  689    HA   LEU  97           HA       LEU  97  -8.193  -4.852  -4.486
  690   1HB   LEU  97          1HB       LEU  97  -8.097  -7.808  -5.064
  691   2HB   LEU  97          2HB       LEU  97  -7.109  -7.059  -3.825
  692    HG   LEU  97           HG       LEU  97 -10.102  -7.368  -3.921
  693   1HD1  LEU  97          1HD1      LEU  97  -8.554  -9.106  -2.908
  694   2HD1  LEU  97          2HD1      LEU  97  -8.191  -7.906  -1.644
  695   3HD1  LEU  97          3HD1      LEU  97  -9.857  -8.493  -1.861
  696   1HD2  LEU  97          2HD2      LEU  97  -8.540  -5.222  -2.555
  697   2HD2  LEU  97          3HD2      LEU  97 -10.173  -5.185  -3.261
  698   3HD2  LEU  97          1HD2      LEU  97  -9.903  -5.963  -1.683
  699    H    THR  98           H        THR  98  -7.140  -6.815  -7.336
  700    HA   THR  98           HA       THR  98  -4.616  -5.293  -7.260
  701    HB   THR  98           HB       THR  98  -3.530  -7.290  -8.099
  702    HG1  THR  98           HG1      THR  98  -5.168  -7.953  -9.597
  703   1HG2  THR  98          2HG2      THR  98  -5.700  -8.216  -6.142
  704   2HG2  THR  98          3HG2      THR  98  -4.195  -9.092  -6.513
  705   3HG2  THR  98          1HG2      THR  98  -4.129  -7.526  -5.670
  706    H    GLY  99           H        GLY  99  -7.535  -5.155  -8.640
  707   1HA   GLY  99          1HA       GLY  99  -7.066  -5.286 -11.406
  708   2HA   GLY  99          2HA       GLY  99  -8.333  -4.387 -10.596
  709    H    CYS 100           H        CYS 100  -6.392  -3.759 -12.925
  710    HA   CYS 100           HA       CYS 100  -4.764  -1.657 -11.890
  711   1HB   CYS 100          1HB       CYS 100  -5.360  -2.759 -14.612
  712   2HB   CYS 100          2HB       CYS 100  -4.611  -1.181 -14.469
  713    H    LYS 101           H        LYS 101  -7.776  -1.971 -13.897
  714    HA   LYS 101           HA       LYS 101  -8.431   0.775 -13.089
  715   1HB   LYS 101          1HB       LYS 101  -7.690   0.542 -15.501
  716   2HB   LYS 101          2HB       LYS 101  -9.107  -0.451 -15.774
  717   1HG   LYS 101          1HG       LYS 101 -10.468   1.516 -14.731
  718   2HG   LYS 101          2HG       LYS 101  -9.013   2.472 -14.933
  719   1HD   LYS 101          1HD       LYS 101  -9.922   0.887 -17.319
  720   2HD   LYS 101          2HD       LYS 101 -10.916   2.257 -16.863
  721   1HE   LYS 101          1HE       LYS 101  -9.251   3.818 -17.349
  722   2HE   LYS 101          2HE       LYS 101  -7.946   2.718 -16.951
  723   1HZ   LYS 101          1HZ       LYS 101  -8.516   1.479 -19.026
  724   2HZ   LYS 101          2HZ       LYS 101  -9.605   2.626 -19.412
  725    H    LYS 102           H        LYS 102 -10.587   1.158 -12.484
  726    HA   LYS 102           HA       LYS 102 -12.612   0.677 -11.745
  727   1HB   LYS 102          1HB       LYS 102 -12.434  -1.692 -13.630
  728   2HB   LYS 102          2HB       LYS 102 -13.888  -1.205 -12.782
  729   1HG   LYS 102          1HG       LYS 102 -12.330   0.720 -14.560
  730   2HG   LYS 102          2HG       LYS 102 -13.591  -0.318 -15.194
  731   1HD   LYS 102          1HD       LYS 102 -14.919   0.750 -13.053
  732   2HD   LYS 102          2HD       LYS 102 -13.818   2.069 -13.398
  733   1HE   LYS 102          1HE       LYS 102 -14.757   2.506 -15.490
  734   2HE   LYS 102          2HE       LYS 102 -15.236   0.840 -15.748
  735   1HZ   LYS 102          1HZ       LYS 102 -16.556   2.287 -13.569
  736   2HZ   LYS 102          2HZ       LYS 102 -16.997   2.670 -15.089
  737    H    SER 103           H        SER 103 -10.536   0.158 -10.055
  738    HA   SER 103           HA       SER 103 -11.383  -2.360  -8.849
  739   1HB   SER 103          1HB       SER 103  -8.979  -2.200  -7.764
  740   2HB   SER 103          2HB       SER 103  -9.169  -2.849  -9.381
  741    HG   SER 103           HG       SER 103  -8.742  -0.033  -9.054
  742    H    LYS 104           H        LYS 104 -10.292  -2.150  -6.327
  743    HA   LYS 104           HA       LYS 104 -11.937  -0.125  -5.174
  744   1HB   LYS 104          1HB       LYS 104 -10.040  -2.160  -3.971
  745   2HB   LYS 104          2HB       LYS 104 -11.044  -1.077  -3.029
  746   1HG   LYS 104          1HG       LYS 104 -12.297  -2.802  -5.188
  747   2HG   LYS 104          2HG       LYS 104 -11.931  -3.496  -3.621
  748   1HD   LYS 104          1HD       LYS 104 -13.224  -0.958  -3.168
  749   2HD   LYS 104          2HD       LYS 104 -14.168  -1.827  -4.362
  750   1HE   LYS 104          1HE       LYS 104 -13.701  -3.867  -2.606
  751   2HE   LYS 104          2HE       LYS 104 -13.633  -2.517  -1.491
  752   1HZ   LYS 104          1HZ       LYS 104 -15.895  -3.135  -3.314
  753   2HZ   LYS 104          2HZ       LYS 104 -15.904  -3.278  -1.692
  754    H    CYS 105           H        CYS 105  -8.543  -0.488  -6.089
  755    HA   CYS 105           HA       CYS 105  -7.741   1.741  -4.456
  756   1HB   CYS 105          1HB       CYS 105  -6.155   0.242  -6.567
  757   2HB   CYS 105          2HB       CYS 105  -5.517   1.364  -5.381
  758    H    HIS 106           H        HIS 106  -7.416   0.994  -8.009
  759    HA   HIS 106           HA       HIS 106  -7.687   3.835  -8.531
  760   1HB   HIS 106          1HB       HIS 106  -6.909   1.529 -10.338
  761   2HB   HIS 106          2HB       HIS 106  -6.958   3.213 -10.821
  762    HD1  HIS 106           HD1      HIS 106  -5.443   4.747  -8.817
  763    HD2  HIS 106           HD2      HIS 106  -4.331   0.832  -9.834
  764    HE1  HIS 106           HE1      HIS 106  -2.987   4.510  -8.168
  765    H    GLU 107           H        GLU 107  -9.375   4.752  -9.722
  766    HA   GLU 107           HA       GLU 107 -11.408   2.893 -10.638
  767   1HB   GLU 107          1HB       GLU 107 -11.817   5.230  -8.739
  768   2HB   GLU 107          2HB       GLU 107 -13.134   4.595  -9.705
  769   1HG   GLU 107          1HG       GLU 107 -12.514   2.265  -8.740
  770   2HG   GLU 107          2HG       GLU 107 -11.504   3.122  -7.593
  771    HHA  HEC 108           HHA      HEC 108  -0.912   6.609   7.479
  772    HHB  HEC 108           HHB      HEC 108  -1.709   3.918  13.244
  773    HHC  HEC 108           HHC      HEC 108  -2.632  -1.783  10.468
  774    HHD  HEC 108           HHD      HEC 108  -1.245   0.833   4.722
  775   1HMA  HEC 108          1HMA      HEC 108  -0.235   6.724  13.079
  776   2HMA  HEC 108          2HMA      HEC 108  -1.763   7.542  12.673
  777   3HMA  HEC 108          3HMA      HEC 108  -1.790   5.951  13.472
  778   1HAA  HEC 108          1HAA      HEC 108  -0.305   7.971   8.904
  779   2HAA  HEC 108          2HAA      HEC 108  -1.726   8.458   9.859
  780   1HBA  HEC 108          1HBA      HEC 108   0.487   7.864  11.610
  781   2HBA  HEC 108          2HBA      HEC 108   0.972   9.038  10.363
  782   1HMB  HEC 108          1HMB      HEC 108  -1.841   1.245  15.074
  783   2HMB  HEC 108          2HMB      HEC 108  -2.644   2.757  14.585
  784   3HMB  HEC 108          3HMB      HEC 108  -3.605   1.279  14.836
  785    HAB  HEC 108           HAB      HEC 108  -3.308  -1.920  12.333
  786   1HBB  HEC 108          1HBB      HEC 108  -4.061  -0.964  15.010
  787   2HBB  HEC 108          2HBB      HEC 108  -4.891  -0.147  13.665
  788   3HBB  HEC 108          3HBB      HEC 108  -4.979  -1.918  13.821
  789   1HMC  HEC 108          1HMC      HEC 108  -1.721  -3.743   7.640
  790   2HMC  HEC 108          2HMC      HEC 108  -2.610  -3.240   9.098
  791   3HMC  HEC 108          3HMC      HEC 108  -3.461  -3.385   7.541
  792    HAC  HEC 108           HAC      HEC 108  -2.063  -1.096   4.396
  793   1HBC  HEC 108          1HBC      HEC 108  -3.031  -3.108   3.984
  794   2HBC  HEC 108          2HBC      HEC 108  -2.242  -3.904   5.367
  795   3HBC  HEC 108          3HBC      HEC 108  -3.644  -2.841   5.634
  796   1HMD  HEC 108          1HMD      HEC 108   0.126   3.909   3.030
  797   2HMD  HEC 108          2HMD      HEC 108   0.002   2.181   3.440
  798   3HMD  HEC 108          3HMD      HEC 108  -1.452   3.088   2.957
  799   1HAD  HEC 108          1HAD      HEC 108  -0.635   6.848   5.487
  800   2HAD  HEC 108          2HAD      HEC 108   0.803   6.079   4.772
  801   1HBD  HEC 108          1HBD      HEC 108  -1.487   5.368   3.212
  802   2HBD  HEC 108          2HBD      HEC 108  -1.475   7.130   3.462
  803    HHA  HEC 109           HHA      HEC 109  11.681  -2.225   1.671
  804    HHB  HEC 109           HHB      HEC 109   5.311  -1.574   1.339
  805    HHC  HEC 109           HHC      HEC 109   5.598   3.310   5.483
  806    HHD  HEC 109           HHD      HEC 109  12.059   3.293   4.916
  807   1HMA  HEC 109          1HMA      HEC 109   7.228  -4.546   0.028
  808   2HMA  HEC 109          2HMA      HEC 109   5.880  -3.632   0.746
  809   3HMA  HEC 109          3HMA      HEC 109   6.569  -3.123  -0.815
  810   1HAA  HEC 109          1HAA      HEC 109  10.947  -3.868   0.754
  811   2HAA  HEC 109          2HAA      HEC 109   9.492  -4.791   0.306
  812   1HBA  HEC 109          1HBA      HEC 109   9.313  -3.453  -1.761
  813   2HBA  HEC 109          2HBA      HEC 109  10.814  -2.605  -1.318
  814   1HMB  HEC 109          1HMB      HEC 109   2.295   0.001   3.059
  815   2HMB  HEC 109          2HMB      HEC 109   3.069  -0.115   1.460
  816   3HMB  HEC 109          3HMB      HEC 109   3.275  -1.426   2.646
  817    HAB  HEC 109           HAB      HEC 109   3.700   2.793   5.313
  818   1HBB  HEC 109          1HBB      HEC 109   2.159   1.510   6.247
  819   2HBB  HEC 109          2HBB      HEC 109   1.319   1.341   4.687
  820   3HBB  HEC 109          3HBB      HEC 109   2.598   0.188   5.139
  821   1HMC  HEC 109          1HMC      HEC 109   7.827   5.265   7.684
  822   2HMC  HEC 109          2HMC      HEC 109   7.406   6.070   6.153
  823   3HMC  HEC 109          3HMC      HEC 109   6.397   4.737   6.765
  824    HAC  HEC 109           HAC      HEC 109  11.603   4.810   6.062
  825   1HBC  HEC 109          1HBC      HEC 109  10.536   4.204   8.305
  826   2HBC  HEC 109          2HBC      HEC 109  11.483   5.708   8.219
  827   3HBC  HEC 109          3HBC      HEC 109   9.704   5.774   8.194
  828   1HMD  HEC 109          1HMD      HEC 109  14.837   1.114   4.560
  829   2HMD  HEC 109          2HMD      HEC 109  14.681   2.216   3.171
  830   3HMD  HEC 109          3HMD      HEC 109  13.892   2.614   4.716
  831   1HAD  HEC 109          1HAD      HEC 109  13.631  -1.906   2.137
  832   2HAD  HEC 109          2HAD      HEC 109  14.354  -0.449   1.413
  833   1HBD  HEC 109          1HBD      HEC 109  14.846  -0.867   4.309
  834   2HBD  HEC 109          2HBD      HEC 109  15.620  -2.010   3.186
  835    HHA  HEC 110           HHA      HEC 110 -10.191  -4.819   0.802
  836    HHB  HEC 110           HHB      HEC 110  -6.369   0.043  -0.891
  837    HHC  HEC 110           HHC      HEC 110  -1.448  -2.838   2.032
  838    HHD  HEC 110           HHD      HEC 110  -5.131  -7.998   3.117
  839   1HMA  HEC 110          1HMA      HEC 110  -8.559  -0.078  -2.294
  840   2HMA  HEC 110          2HMA      HEC 110 -10.145  -0.099  -1.485
  841   3HMA  HEC 110          3HMA      HEC 110  -8.769   0.738  -0.727
  842   1HAA  HEC 110          1HAA      HEC 110 -11.304  -1.770  -1.177
  843   2HAA  HEC 110          2HAA      HEC 110 -11.172  -3.530  -0.943
  844   1HBA  HEC 110          1HBA      HEC 110 -12.594  -3.201   0.746
  845   2HBA  HEC 110          2HBA      HEC 110 -11.170  -2.615   1.639
  846   1HMB  HEC 110          1HMB      HEC 110  -3.885   1.763  -0.114
  847   2HMB  HEC 110          2HMB      HEC 110  -2.876   1.062  -1.403
  848   3HMB  HEC 110          3HMB      HEC 110  -4.651   0.983  -1.519
  849    HAB  HEC 110           HAB      HEC 110  -0.757  -1.154   1.221
  850   1HBB  HEC 110          1HBB      HEC 110  -0.562   1.473   0.259
  851   2HBB  HEC 110          2HBB      HEC 110  -2.129   1.380   1.099
  852   3HBB  HEC 110          3HBB      HEC 110  -0.633   0.932   1.954
  853   1HMC  HEC 110          1HMC      HEC 110  -0.150  -4.584   2.137
  854   2HMC  HEC 110          2HMC      HEC 110  -0.305  -5.219   3.793
  855   3HMC  HEC 110          3HMC      HEC 110  -0.052  -6.337   2.432
  856    HAC  HEC 110           HAC      HEC 110  -3.209  -8.209   4.164
  857   1HBC  HEC 110          1HBC      HEC 110  -1.117  -8.637   5.019
  858   2HBC  HEC 110          2HBC      HEC 110  -0.276  -7.919   3.624
  859   3HBC  HEC 110          3HBC      HEC 110  -1.068  -6.869   4.823
  860   1HMD  HEC 110          1HMD      HEC 110  -8.651  -8.846   3.961
  861   2HMD  HEC 110          2HMD      HEC 110  -7.694  -9.569   2.647
  862   3HMD  HEC 110          3HMD      HEC 110  -6.873  -8.793   4.022
  863   1HAD  HEC 110          1HAD      HEC 110 -10.351  -8.186   2.598
  864   2HAD  HEC 110          2HAD      HEC 110 -10.812  -6.485   2.844
  865   1HBD  HEC 110          1HBD      HEC 110 -10.281  -6.799   0.081
  866   2HBD  HEC 110          2HBD      HEC 110 -11.279  -8.182   0.589
  867    HHA  HEC 111           HHA      HEC 111   0.462   5.557  -7.670
  868    HHB  HEC 111           HHB      HEC 111  -0.537   2.061 -12.950
  869    HHC  HEC 111           HHC      HEC 111  -3.219  -2.559  -9.408
  870    HHD  HEC 111           HHD      HEC 111  -2.981   1.363  -4.258
  871   1HMA  HEC 111          1HMA      HEC 111   0.016   4.526 -13.457
  872   2HMA  HEC 111          2HMA      HEC 111   1.471   5.323 -12.811
  873   3HMA  HEC 111          3HMA      HEC 111   1.495   3.579 -13.167
  874   1HAA  HEC 111          1HAA      HEC 111   0.738   6.951 -10.690
  875   2HAA  HEC 111          2HAA      HEC 111   1.422   6.440  -9.128
  876   1HBA  HEC 111          1HBA      HEC 111   3.452   6.346 -10.005
  877   2HBA  HEC 111          2HBA      HEC 111   2.903   5.230 -11.279
  878   1HMB  HEC 111          1HMB      HEC 111  -0.087   0.032 -13.894
  879   2HMB  HEC 111          2HMB      HEC 111  -0.875  -1.556 -14.051
  880   3HMB  HEC 111          3HMB      HEC 111  -1.789  -0.071 -14.408
  881    HAB  HEC 111           HAB      HEC 111  -3.392  -3.059 -11.543
  882   1HBB  HEC 111          1HBB      HEC 111  -0.493  -3.643 -12.194
  883   2HBB  HEC 111          2HBB      HEC 111  -1.256  -3.849 -10.599
  884   3HBB  HEC 111          3HBB      HEC 111  -1.803  -4.829 -11.981
  885   1HMC  HEC 111          1HMC      HEC 111  -4.134  -3.638  -6.314
  886   2HMC  HEC 111          2HMC      HEC 111  -5.634  -2.747  -6.668
  887   3HMC  HEC 111          3HMC      HEC 111  -4.555  -3.236  -7.996
  888    HAC  HEC 111           HAC      HEC 111  -3.935  -0.285  -3.697
  889   1HBC  HEC 111          1HBC      HEC 111  -3.113  -2.611  -3.778
  890   2HBC  HEC 111          2HBC      HEC 111  -4.608  -2.434  -2.829
  891   3HBC  HEC 111          3HBC      HEC 111  -4.673  -3.116  -4.472
  892   1HMD  HEC 111          1HMD      HEC 111  -1.112   4.356  -2.796
  893   2HMD  HEC 111          2HMD      HEC 111  -2.722   3.657  -3.094
  894   3HMD  HEC 111          3HMD      HEC 111  -1.325   2.589  -2.816
  895   1HAD  HEC 111          1HAD      HEC 111   0.532   5.434  -4.022
  896   2HAD  HEC 111          2HAD      HEC 111   0.768   5.964  -5.705
  897   1HBD  HEC 111          1HBD      HEC 111  -1.777   6.736  -5.374
  898   2HBD  HEC 111          2HBD      HEC 111  -1.225   6.830  -3.685
   
  No H/Q in entry =         898
  Start of MODEL    9
    1   1H    ALA   1          1H        ALA   1  -1.879   2.797  23.077
    2   2H    ALA   1          2H        ALA   1  -0.894   1.474  22.935
    3    HA   ALA   1           HA       ALA   1   0.368   3.586  21.733
    4   1HB   ALA   1          2HB       ALA   1  -0.752   0.901  20.959
    5   2HB   ALA   1          3HB       ALA   1  -0.178   2.001  19.683
    6   3HB   ALA   1          1HB       ALA   1   0.935   1.468  20.965
    7    HA   PRO   2           HA       PRO   2  -2.827   5.819  19.861
    8   1HB   PRO   2          1HB       PRO   2  -1.760   6.583  17.464
    9   2HB   PRO   2          2HB       PRO   2  -1.371   7.371  18.980
   10   1HG   PRO   2          1HG       PRO   2   0.268   5.490  17.394
   11   2HG   PRO   2          2HG       PRO   2   0.778   6.597  18.653
   12   1HD   PRO   2          1HD       PRO   2   0.436   3.760  18.898
   13   2HD   PRO   2          2HD       PRO   2   0.832   4.883  20.184
   14    H    LYS   3           H        LYS   3  -4.743   5.655  18.776
   15    HA   LYS   3           HA       LYS   3  -5.095   3.121  17.509
   16   1HB   LYS   3          1HB       LYS   3  -6.781   5.327  18.501
   17   2HB   LYS   3          2HB       LYS   3  -7.409   4.537  17.068
   18   1HG   LYS   3          1HG       LYS   3  -6.897   2.293  18.307
   19   2HG   LYS   3          2HG       LYS   3  -6.729   3.273  19.750
   20   1HD   LYS   3          1HD       LYS   3  -8.982   3.522  19.961
   21   2HD   LYS   3          2HD       LYS   3  -9.160   4.001  18.285
   22   1HE   LYS   3          1HE       LYS   3  -8.921   1.509  17.668
   23   2HE   LYS   3          2HE       LYS   3  -9.048   1.156  19.380
   24   1HZ   LYS   3          1HZ       LYS   3 -11.254   1.690  19.385
   25   2HZ   LYS   3          2HZ       LYS   3 -11.113   2.908  18.313
   26    H    ALA   4           H        ALA   4  -6.378   3.109  15.312
   27    HA   ALA   4           HA       ALA   4  -4.614   4.172  13.388
   28   1HB   ALA   4          2HB       ALA   4  -5.993   2.049  13.243
   29   2HB   ALA   4          3HB       ALA   4  -7.420   3.077  12.971
   30   3HB   ALA   4          1HB       ALA   4  -6.075   3.095  11.806
   31    HA   PRO   5           HA       PRO   5  -6.434   8.017  12.611
   32   1HB   PRO   5          1HB       PRO   5  -5.796   8.439   9.988
   33   2HB   PRO   5          2HB       PRO   5  -4.662   8.685  11.302
   34   1HG   PRO   5          1HG       PRO   5  -4.782   6.471   9.347
   35   2HG   PRO   5          2HG       PRO   5  -3.447   6.960  10.371
   36   1HD   PRO   5          1HD       PRO   5  -5.188   4.717  10.775
   37   2HD   PRO   5          2HD       PRO   5  -3.928   5.274  11.858
   38    H    ALA   6           H        ALA   6  -7.977   9.341  11.244
   39    HA   ALA   6           HA       ALA   6 -10.371   7.966  11.144
   40   1HB   ALA   6          1HB       ALA   6  -9.305  10.603  10.428
   41   2HB   ALA   6          2HB       ALA   6 -10.628  10.090   9.354
   42   3HB   ALA   6          3HB       ALA   6 -10.888  10.162  11.113
   43    H    ASP   7           H        ASP   7 -11.730   8.061   8.896
   44    HA   ASP   7           HA       ASP   7 -10.243   6.267   7.204
   45   1HB   ASP   7          1HB       ASP   7 -13.150   7.103   6.874
   46   2HB   ASP   7          2HB       ASP   7 -12.386   5.639   6.288
   47    H    GLY   8           H        GLY   8 -10.953   6.559   4.685
   48   1HA   GLY   8          1HA       GLY   8 -11.107   7.856   2.833
   49   2HA   GLY   8          2HA       GLY   8 -11.459   9.251   3.833
   50    H    LEU   9           H        LEU   9  -8.617   7.285   4.592
   51    HA   LEU   9           HA       LEU   9  -6.931   9.548   4.164
   52   1HB   LEU   9          1HB       LEU   9  -6.449   8.262   6.049
   53   2HB   LEU   9          2HB       LEU   9  -6.559   6.747   5.175
   54    HG   LEU   9           HG       LEU   9  -4.238   7.882   5.908
   55   1HD1  LEU   9          1HD1      LEU   9  -4.888   5.640   4.677
   56   2HD1  LEU   9          2HD1      LEU   9  -4.215   6.486   3.263
   57   3HD1  LEU   9          3HD1      LEU   9  -3.208   6.228   4.708
   58   1HD2  LEU   9          2HD2      LEU   9  -4.953   9.772   4.169
   59   2HD2  LEU   9          3HD2      LEU   9  -3.257   9.292   4.419
   60   3HD2  LEU   9          1HD2      LEU   9  -4.168   8.651   3.031
   61    H    LYS  10           H        LYS  10  -6.652  10.147   2.050
   62    HA   LYS  10           HA       LYS  10  -5.869   8.000   0.207
   63   1HB   LYS  10          1HB       LYS  10  -7.177   8.910  -1.359
   64   2HB   LYS  10          2HB       LYS  10  -7.930   9.798  -0.050
   65   1HG   LYS  10          1HG       LYS  10  -5.970  11.532  -0.422
   66   2HG   LYS  10          2HG       LYS  10  -5.781  10.741  -1.974
   67   1HD   LYS  10          1HD       LYS  10  -8.567  11.551  -1.160
   68   2HD   LYS  10          2HD       LYS  10  -7.459  12.827  -1.622
   69   1HE   LYS  10          1HE       LYS  10  -7.660  12.304  -3.824
   70   2HE   LYS  10          2HE       LYS  10  -7.248  10.627  -3.522
   71   1HZ   LYS  10          1HZ       LYS  10  -9.529  10.932  -4.416
   72   2HZ   LYS  10          2HZ       LYS  10  -9.549  10.177  -2.973
   73    H    MET  11           H        MET  11  -4.104   8.458  -1.299
   74    HA   MET  11           HA       MET  11  -2.383  10.599  -0.325
   75   1HB   MET  11          1HB       MET  11  -0.442   8.987  -0.760
   76   2HB   MET  11          2HB       MET  11  -1.481   8.504   0.566
   77   1HG   MET  11          1HG       MET  11  -2.585   7.400  -1.867
   78   2HG   MET  11          2HG       MET  11  -0.871   7.038  -1.843
   79   1HE   MET  11          1HE       MET  11   0.358   5.774  -0.126
   80   2HE   MET  11          2HE       MET  11  -0.423   4.372   0.643
   81   3HE   MET  11          3HE       MET  11  -0.496   4.573  -1.124
   82    H    GLU  12           H        GLU  12  -1.974  12.029  -1.949
   83    HA   GLU  12           HA       GLU  12  -2.062  10.949  -4.656
   84   1HB   GLU  12          1HB       GLU  12  -3.772  12.722  -3.986
   85   2HB   GLU  12          2HB       GLU  12  -2.445  13.853  -3.815
   86   1HG   GLU  12          1HG       GLU  12  -2.697  12.286  -6.391
   87   2HG   GLU  12          2HG       GLU  12  -3.773  13.643  -6.122
   88    H    ALA  13           H        ALA  13   0.259  10.254  -4.023
   89    HA   ALA  13           HA       ALA  13   2.122  12.498  -4.108
   90   1HB   ALA  13          2HB       ALA  13   2.428  10.800  -2.358
   91   2HB   ALA  13          3HB       ALA  13   2.515   9.522  -3.594
   92   3HB   ALA  13          1HB       ALA  13   3.788  10.762  -3.505
   93    H    THR  14           H        THR  14   0.527  10.231  -6.153
   94    HA   THR  14           HA       THR  14   2.518  10.774  -8.252
   95    HB   THR  14           HB       THR  14   2.355   8.489  -8.983
   96    HG1  THR  14           HG1      THR  14   0.104   8.546  -7.103
   97   1HG2  THR  14          1HG2      THR  14   3.574   8.710  -6.736
   98   2HG2  THR  14          2HG2      THR  14   2.042   8.264  -5.948
   99   3HG2  THR  14          3HG2      THR  14   2.855   7.110  -7.032
  100    H    LYS  15           H        LYS  15   1.394  10.123 -10.500
  101    HA   LYS  15           HA       LYS  15  -0.647  12.034 -10.797
  102   1HB   LYS  15          1HB       LYS  15   1.073  11.356 -12.508
  103   2HB   LYS  15          2HB       LYS  15   0.179   9.869 -12.748
  104   1HG   LYS  15          1HG       LYS  15  -1.751  11.023 -13.582
  105   2HG   LYS  15          2HG       LYS  15  -1.211  12.565 -12.950
  106   1HD   LYS  15          1HD       LYS  15   0.187  12.968 -14.735
  107   2HD   LYS  15          2HD       LYS  15   0.695  11.295 -14.853
  108   1HE   LYS  15          1HE       LYS  15  -1.939  11.059 -15.618
  109   2HE   LYS  15          2HE       LYS  15  -1.595  12.682 -16.184
  110   1HZ   LYS  15          1HZ       LYS  15   0.568  11.004 -16.870
  111   2HZ   LYS  15          2HZ       LYS  15  -0.804  10.289 -17.378
  112    H    GLN  16           H        GLN  16  -0.688   8.866  -9.541
  113    HA   GLN  16           HA       GLN  16  -3.551   8.746 -10.086
  114   1HB   GLN  16          1HB       GLN  16  -1.734   6.324  -9.737
  115   2HB   GLN  16          2HB       GLN  16  -3.429   6.311 -10.182
  116   1HG   GLN  16          1HG       GLN  16  -1.676   7.972 -11.942
  117   2HG   GLN  16          2HG       GLN  16  -1.355   6.250 -11.991
  118   1HE2  GLN  16          2HE2      GLN  16  -4.688   5.357 -13.112
  119   2HE2  GLN  16          1HE2      GLN  16  -3.497   4.906 -11.938
  120    HA   PRO  17           HA       PRO  17  -3.265   8.937  -5.663
  121   1HB   PRO  17          1HB       PRO  17  -5.746  10.003  -5.239
  122   2HB   PRO  17          2HB       PRO  17  -4.316  10.980  -5.512
  123   1HG   PRO  17          1HG       PRO  17  -6.544  10.396  -7.365
  124   2HG   PRO  17          2HG       PRO  17  -5.351  11.676  -7.452
  125   1HD   PRO  17          1HD       PRO  17  -5.397   9.265  -9.005
  126   2HD   PRO  17          2HD       PRO  17  -4.144  10.490  -9.008
  127    H    VAL  18           H        VAL  18  -4.338   7.946  -3.797
  128    HA   VAL  18           HA       VAL  18  -6.259   5.920  -4.627
  129    HB   VAL  18           HB       VAL  18  -3.621   5.360  -3.261
  130   1HG1  VAL  18          2HG1      VAL  18  -6.150   3.754  -3.454
  131   2HG1  VAL  18          3HG1      VAL  18  -4.580   2.917  -3.504
  132   3HG1  VAL  18          1HG1      VAL  18  -5.007   3.924  -2.100
  133   1HG2  VAL  18          1HG2      VAL  18  -4.668   4.995  -6.009
  134   2HG2  VAL  18          2HG2      VAL  18  -2.996   5.181  -5.429
  135   3HG2  VAL  18          3HG2      VAL  18  -3.804   3.598  -5.322
  136    H    VAL  19           H        VAL  19  -7.479   5.039  -2.793
  137    HA   VAL  19           HA       VAL  19  -7.287   6.792  -0.441
  138    HB   VAL  19           HB       VAL  19  -9.689   5.755  -1.943
  139   1HG1  VAL  19          1HG1      VAL  19  -9.428   6.132   0.896
  140   2HG1  VAL  19          2HG1      VAL  19 -10.526   7.369   0.236
  141   3HG1  VAL  19          3HG1      VAL  19 -10.856   5.642  -0.047
  142   1HG2  VAL  19          3HG2      VAL  19  -8.454   7.947  -2.555
  143   2HG2  VAL  19          1HG2      VAL  19 -10.222   7.995  -2.359
  144   3HG2  VAL  19          2HG2      VAL  19  -9.165   8.591  -1.056
  145    H    PHE  20           H        PHE  20  -6.577   5.666   1.290
  146    HA   PHE  20           HA       PHE  20  -7.097   2.785   1.327
  147   1HB   PHE  20          1HB       PHE  20  -4.751   3.833   1.528
  148   2HB   PHE  20          2HB       PHE  20  -5.289   4.658   2.978
  149    HD1  PHE  20           HD2      PHE  20  -5.075   1.183   1.574
  150    HD2  PHE  20           HD1      PHE  20  -4.847   3.679   5.041
  151    HE1  PHE  20           HE2      PHE  20  -4.378  -0.819   2.978
  152    HE2  PHE  20           HE1      PHE  20  -4.151   1.668   6.434
  153    HZ   PHE  20           HZ       PHE  20  -3.919  -0.585   5.279
  154    H    ASN  21           H        ASN  21  -7.547   1.805   3.526
  155    HA   ASN  21           HA       ASN  21  -8.930   3.656   5.267
  156   1HB   ASN  21          1HB       ASN  21 -10.138   1.122   4.048
  157   2HB   ASN  21          2HB       ASN  21 -10.825   1.914   5.452
  158   1HD2  ASN  21          2HD2      ASN  21 -11.115   3.527   1.666
  159   2HD2  ASN  21          1HD2      ASN  21 -10.019   2.243   2.053
  160    H    HIS  22           H        HIS  22  -8.785   2.981   7.485
  161    HA   HIS  22           HA       HIS  22  -7.056   0.684   7.902
  162   1HB   HIS  22          1HB       HIS  22  -7.743   3.145   9.475
  163   2HB   HIS  22          2HB       HIS  22  -7.147   1.732  10.322
  164    HD1  HIS  22           HD1      HIS  22  -6.076   4.462   7.984
  165    HD2  HIS  22           HD2      HIS  22  -4.428   1.054   9.791
  166    HE1  HIS  22           HE1      HIS  22  -3.552   4.630   7.657
  167    H    SER  23           H        SER  23 -10.379   1.702   8.123
  168    HA   SER  23           HA       SER  23 -11.068  -0.096  10.199
  169   1HB   SER  23          1HB       SER  23 -12.340   1.999   8.674
  170   2HB   SER  23          2HB       SER  23 -13.353   0.571   8.584
  171    HG   SER  23           HG       SER  23 -13.372   0.461  10.902
  172    H    THR  24           H        THR  24  -9.969  -0.635   7.113
  173    HA   THR  24           HA       THR  24 -11.767  -2.920   6.661
  174    HB   THR  24           HB       THR  24  -9.956  -1.276   4.819
  175    HG1  THR  24           HG1      THR  24 -12.025  -0.339   5.294
  176   1HG2  THR  24          2HG2      THR  24 -11.510  -3.857   4.390
  177   2HG2  THR  24          3HG2      THR  24 -11.333  -2.683   3.063
  178   3HG2  THR  24          1HG2      THR  24  -9.889  -3.427   3.792
  179    H    HIS  25           H        HIS  25  -8.373  -1.892   7.115
  180    HA   HIS  25           HA       HIS  25  -7.582  -4.688   6.933
  181   1HB   HIS  25          1HB       HIS  25  -5.890  -2.184   7.159
  182   2HB   HIS  25          2HB       HIS  25  -5.286  -3.813   6.933
  183    HD1  HIS  25           HD1      HIS  25  -7.360  -1.179   5.111
  184    HD2  HIS  25           HD2      HIS  25  -5.178  -4.670   4.306
  185    HE1  HIS  25           HE1      HIS  25  -7.243  -1.380   2.570
  186    H    LYS  26           H        LYS  26  -9.292  -3.804   9.123
  187    HA   LYS  26           HA       LYS  26  -7.728  -3.272  11.408
  188   1HB   LYS  26          1HB       LYS  26 -10.508  -4.471  11.241
  189   2HB   LYS  26          2HB       LYS  26  -9.782  -3.702  12.637
  190   1HG   LYS  26          1HG       LYS  26  -9.593  -1.558  11.362
  191   2HG   LYS  26          2HG       LYS  26 -10.311  -2.326   9.960
  192   1HD   LYS  26          1HD       LYS  26 -12.306  -1.604  10.795
  193   2HD   LYS  26          2HD       LYS  26 -12.170  -2.938  11.923
  194   1HE   LYS  26          1HE       LYS  26 -11.282  -1.541  13.657
  195   2HE   LYS  26          2HE       LYS  26 -10.874  -0.257  12.538
  196   1HZ   LYS  26          1HZ       LYS  26 -13.697  -1.010  12.708
  197   2HZ   LYS  26          2HZ       LYS  26 -13.082  -0.182  13.968
  198    H    SER  27           H        SER  27  -8.818  -6.243   9.740
  199    HA   SER  27           HA       SER  27  -8.012  -7.920  11.864
  200   1HB   SER  27          1HB       SER  27  -8.473  -9.753  10.301
  201   2HB   SER  27          2HB       SER  27  -9.757  -8.564  10.215
  202    HG   SER  27           HG       SER  27  -8.202  -9.479   8.205
  203    H    VAL  28           H        VAL  28  -6.361  -6.144   9.416
  204    HA   VAL  28           HA       VAL  28  -4.172  -8.022   9.189
  205    HB   VAL  28           HB       VAL  28  -4.465  -5.209   8.122
  206   1HG1  VAL  28          3HG1      VAL  28  -2.436  -7.366   7.822
  207   2HG1  VAL  28          1HG1      VAL  28  -2.882  -6.473   6.348
  208   3HG1  VAL  28          2HG1      VAL  28  -2.252  -5.596   7.763
  209   1HG2  VAL  28          3HG2      VAL  28  -6.017  -7.447   7.452
  210   2HG2  VAL  28          1HG2      VAL  28  -5.853  -5.934   6.529
  211   3HG2  VAL  28          2HG2      VAL  28  -4.801  -7.321   6.158
  212    H    LYS  29           H        LYS  29  -2.084  -7.719  10.056
  213    HA   LYS  29           HA       LYS  29  -2.061  -6.289  12.518
  214   1HB   LYS  29          1HB       LYS  29  -0.577  -8.392  11.266
  215   2HB   LYS  29          2HB       LYS  29   0.555  -7.147  11.755
  216   1HG   LYS  29          1HG       LYS  29  -1.060  -7.227  13.977
  217   2HG   LYS  29          2HG       LYS  29  -1.198  -8.889  13.439
  218   1HD   LYS  29          1HD       LYS  29   0.978  -9.385  13.976
  219   2HD   LYS  29          2HD       LYS  29   1.584  -7.858  13.364
  220   1HE   LYS  29          1HE       LYS  29   1.486  -6.850  15.421
  221   2HE   LYS  29          2HE       LYS  29  -0.078  -7.546  15.798
  222   1HZ   LYS  29          1HZ       LYS  29   1.851  -9.605  15.774
  223   2HZ   LYS  29          2HZ       LYS  29   2.406  -8.407  16.728
  224    H    CYS  30           H        CYS  30  -1.015  -4.371  13.061
  225    HA   CYS  30           HA       CYS  30  -0.797  -2.478  11.037
  226   1HB   CYS  30          1HB       CYS  30   0.570  -2.221  13.704
  227   2HB   CYS  30          2HB       CYS  30  -0.122  -0.963  12.699
  228    H    GLY  31           H        GLY  31   1.456  -4.818  12.473
  229   1HA   GLY  31          1HA       GLY  31   3.838  -3.564  11.454
  230   2HA   GLY  31          2HA       GLY  31   3.691  -5.137  12.211
  231    H    ASP  32           H        ASP  32   1.255  -5.135   9.941
  232    HA   ASP  32           HA       ASP  32   2.799  -6.782   8.218
  233   1HB   ASP  32          1HB       ASP  32   0.350  -7.138   8.894
  234   2HB   ASP  32          2HB       ASP  32  -0.065  -5.790   7.856
  235    H    CYS  33           H        CYS  33   1.383  -3.496   8.278
  236    HA   CYS  33           HA       CYS  33   2.265  -3.082   5.524
  237   1HB   CYS  33          1HB       CYS  33   0.112  -1.877   7.205
  238   2HB   CYS  33          2HB       CYS  33   0.907  -0.825   6.051
  239    H    HIS  34           H        HIS  34   2.170  -1.488   8.799
  240    HA   HIS  34           HA       HIS  34   4.249   0.315   8.071
  241   1HB   HIS  34          1HB       HIS  34   2.989  -0.317  10.755
  242   2HB   HIS  34          2HB       HIS  34   4.108   0.998  10.455
  243    HD1  HIS  34           HD1      HIS  34   3.240   2.988   8.902
  244    HD2  HIS  34           HD2      HIS  34   0.343   0.163  10.009
  245    HE1  HIS  34           HE1      HIS  34   0.976   4.051   8.397
  246    H    HIS  35           H        HIS  35   5.461  -1.861   7.321
  247    HA   HIS  35           HA       HIS  35   6.579  -3.614   9.013
  248   1HB   HIS  35          1HB       HIS  35   8.408  -3.819   7.433
  249   2HB   HIS  35          2HB       HIS  35   6.882  -3.630   6.591
  250    HD1  HIS  35           HD1      HIS  35   9.860  -1.461   7.654
  251    HD2  HIS  35           HD2      HIS  35   6.897  -1.656   4.691
  252    HE1  HIS  35           HE1      HIS  35  10.392   0.396   5.988
  253    HA   PRO  36           HA       PRO  36   9.158  -1.412  11.698
  254   1HB   PRO  36          1HB       PRO  36  10.882  -3.372  12.508
  255   2HB   PRO  36          2HB       PRO  36   9.268  -3.184  13.163
  256   1HG   PRO  36          1HG       PRO  36  10.266  -5.199  11.245
  257   2HG   PRO  36          2HG       PRO  36   8.813  -5.240  12.224
  258   1HD   PRO  36          1HD       PRO  36   8.976  -4.665   9.418
  259   2HD   PRO  36          2HD       PRO  36   7.541  -4.593  10.421
  260    H    VAL  37           H        VAL  37  10.305   0.243  10.906
  261    HA   VAL  37           HA       VAL  37  12.401  -0.421   9.035
  262    HB   VAL  37           HB       VAL  37  11.175   2.116  10.092
  263   1HG1  VAL  37          3HG1      VAL  37  13.705   1.794   8.468
  264   2HG1  VAL  37          1HG1      VAL  37  12.712   3.270   8.392
  265   3HG1  VAL  37          2HG1      VAL  37  13.437   2.762   9.937
  266   1HG2  VAL  37          3HG2      VAL  37  10.393   0.466   8.069
  267   2HG2  VAL  37          1HG2      VAL  37  10.054   2.212   8.132
  268   3HG2  VAL  37          2HG2      VAL  37  11.438   1.607   7.189
  269    H    ASN  38           H        ASN  38  14.092  -1.450  10.076
  270    HA   ASN  38           HA       ASN  38  15.875  -1.661  11.291
  271   1HB   ASN  38          1HB       ASN  38  15.506   1.339  11.403
  272   2HB   ASN  38          2HB       ASN  38  16.683   0.629  12.491
  273   1HD2  ASN  38          2HD2      ASN  38  19.165   0.294  10.120
  274   2HD2  ASN  38          1HD2      ASN  38  18.653   0.385  11.772
  275    H    GLY  39           H        GLY  39  13.434  -2.352  12.520
  276   1HA   GLY  39          1HA       GLY  39  12.753  -3.013  14.578
  277   2HA   GLY  39          2HA       GLY  39  14.104  -2.164  15.303
  278    H    LYS  40           H        LYS  40  12.691   0.062  13.231
  279    HA   LYS  40           HA       LYS  40  11.359   1.342  15.460
  280   1HB   LYS  40          1HB       LYS  40  11.746   2.436  12.668
  281   2HB   LYS  40          2HB       LYS  40  11.436   3.325  14.145
  282   1HG   LYS  40          1HG       LYS  40  13.627   2.769  15.045
  283   2HG   LYS  40          2HG       LYS  40  13.922   1.599  13.774
  284   1HD   LYS  40          1HD       LYS  40  13.741   3.535  12.093
  285   2HD   LYS  40          2HD       LYS  40  13.719   4.628  13.463
  286   1HE   LYS  40          1HE       LYS  40  15.983   3.040  12.340
  287   2HE   LYS  40          2HE       LYS  40  16.003   4.608  13.123
  288   1HZ   LYS  40          1HZ       LYS  40  15.725   3.479  15.268
  289   2HZ   LYS  40          2HZ       LYS  40  15.685   2.019  14.547
  290    H    GLU  41           H        GLU  41   9.273   0.871  15.879
  291    HA   GLU  41           HA       GLU  41   7.612   0.278  13.555
  292   1HB   GLU  41          1HB       GLU  41   8.064  -1.243  15.909
  293   2HB   GLU  41          2HB       GLU  41   6.450  -0.584  16.089
  294   1HG   GLU  41          1HG       GLU  41   6.439  -1.380  13.425
  295   2HG   GLU  41          2HG       GLU  41   7.462  -2.602  14.156
  296    H    ASP  42           H        ASP  42   6.903   2.402  13.108
  297    HA   ASP  42           HA       ASP  42   5.249   3.515  15.230
  298   1HB   ASP  42          1HB       ASP  42   7.603   4.669  14.292
  299   2HB   ASP  42          2HB       ASP  42   6.398   5.455  13.291
  300    H    TYR  43           H        TYR  43   3.660   5.251  14.142
  301    HA   TYR  43           HA       TYR  43   2.668   4.023  11.672
  302   1HB   TYR  43          1HB       TYR  43   1.449   5.949  13.750
  303   2HB   TYR  43          2HB       TYR  43   0.552   5.198  12.445
  304    HD1  TYR  43           HD1      TYR  43   2.060   2.439  12.806
  305    HD2  TYR  43           HD2      TYR  43  -0.028   5.059  15.467
  306    HE1  TYR  43           HE1      TYR  43   1.509   0.473  14.321
  307    HE2  TYR  43           HE2      TYR  43  -0.572   3.084  16.973
  308    HH   TYR  43           HH       TYR  43  -0.671   0.846  17.037
  309    H    ARG  44           H        ARG  44   3.966   5.089  10.110
  310    HA   ARG  44           HA       ARG  44   3.434   7.950  10.002
  311   1HB   ARG  44          1HB       ARG  44   5.965   6.568  10.061
  312   2HB   ARG  44          2HB       ARG  44   5.792   7.260   8.461
  313   1HG   ARG  44          1HG       ARG  44   5.492   9.490   9.345
  314   2HG   ARG  44          2HG       ARG  44   5.253   8.892  10.975
  315   1HD   ARG  44          1HD       ARG  44   7.819   7.956   9.921
  316   2HD   ARG  44          2HD       ARG  44   7.709   9.700   9.789
  317    HE   ARG  44           HE       ARG  44   6.808   9.283  12.345
  318   1HH1  ARG  44          2HH2      ARG  44   9.683   8.111  10.637
  319   2HH1  ARG  44          1HH2      ARG  44  10.645   8.005  12.074
  320    HH2  ARG  44           HH1      ARG  44   9.680   8.617  14.180
  321    H    LYS  45           H        LYS  45   3.976   8.719   7.530
  322    HA   LYS  45           HA       LYS  45   2.225   7.096   5.907
  323   1HB   LYS  45          1HB       LYS  45   3.513   9.804   5.454
  324   2HB   LYS  45          2HB       LYS  45   2.426   9.024   4.324
  325   1HG   LYS  45          1HG       LYS  45   0.838  10.218   5.493
  326   2HG   LYS  45          2HG       LYS  45   0.887   8.815   6.542
  327   1HD   LYS  45          1HD       LYS  45   1.607  10.096   8.266
  328   2HD   LYS  45          2HD       LYS  45   3.026  10.566   7.352
  329   1HE   LYS  45          1HE       LYS  45   1.004  12.100   6.172
  330   2HE   LYS  45          2HE       LYS  45   0.533  12.079   7.859
  331   1HZ   LYS  45          1HZ       LYS  45   3.037  13.111   6.696
  332   2HZ   LYS  45          2HZ       LYS  45   2.028  13.847   7.741
  333    H    CYS  46           H        CYS  46   2.811   5.835   4.175
  334    HA   CYS  46           HA       CYS  46   5.402   4.885   4.061
  335   1HB   CYS  46          1HB       CYS  46   3.568   4.756   1.689
  336   2HB   CYS  46          2HB       CYS  46   4.717   3.566   2.268
  337    H    GLY  47           H        GLY  47   3.619   7.287   2.006
  338   1HA   GLY  47          1HA       GLY  47   5.917   7.846   0.371
  339   2HA   GLY  47          2HA       GLY  47   4.366   8.662   0.361
  340    H    THR  48           H        THR  48   6.873   8.137   2.947
  341    HA   THR  48           HA       THR  48   6.670  10.988   3.572
  342    HB   THR  48           HB       THR  48   7.467   8.450   5.015
  343    HG1  THR  48           HG1      THR  48   5.792   9.285   6.281
  344   1HG2  THR  48          1HG2      THR  48   9.337  10.238   5.324
  345   2HG2  THR  48          2HG2      THR  48   8.081  11.242   6.086
  346   3HG2  THR  48          3HG2      THR  48   8.523   9.674   6.803
  347    H    ALA  49           H        ALA  49   8.251  12.446   3.211
  348    HA   ALA  49           HA       ALA  49  10.233  11.905   1.372
  349   1HB   ALA  49          1HB       ALA  49  10.034  14.073   3.501
  350   2HB   ALA  49          2HB       ALA  49  11.150  14.108   2.114
  351   3HB   ALA  49          3HB       ALA  49   9.392  14.147   1.842
  352    H    GLY  50           H        GLY  50  11.848  10.433   1.586
  353   1HA   GLY  50          1HA       GLY  50  14.052  10.192   2.586
  354   2HA   GLY  50          2HA       GLY  50  13.312  10.420   4.158
  355    H    CYS  51           H        CYS  51  10.892   8.774   2.824
  356    HA   CYS  51           HA       CYS  51  12.059   6.207   3.585
  357   1HB   CYS  51          1HB       CYS  51   9.191   7.189   3.606
  358   2HB   CYS  51          2HB       CYS  51   9.634   5.512   3.857
  359    H    HIS  52           H        HIS  52   9.045   6.739   1.724
  360    HA   HIS  52           HA       HIS  52  10.340   5.383  -0.525
  361   1HB   HIS  52          1HB       HIS  52   7.462   5.393   0.414
  362   2HB   HIS  52          2HB       HIS  52   7.964   4.752  -1.137
  363    HD1  HIS  52           HD1      HIS  52   9.959   2.789  -0.902
  364    HD2  HIS  52           HD2      HIS  52   7.500   3.533   2.415
  365    HE1  HIS  52           HE1      HIS  52  10.151   0.739   0.605
  366    H    ASP  53           H        ASP  53  11.192   7.655  -0.990
  367    HA   ASP  53           HA       ASP  53   9.158   9.018  -2.564
  368   1HB   ASP  53          1HB       ASP  53  10.048  10.124  -0.293
  369   2HB   ASP  53          2HB       ASP  53  11.429  10.551  -1.283
  370    H    SER  54           H        SER  54  10.182   7.629  -4.311
  371    HA   SER  54           HA       SER  54  12.863   8.541  -4.987
  372   1HB   SER  54          1HB       SER  54  12.600   6.093  -4.717
  373   2HB   SER  54          2HB       SER  54  11.314   6.078  -5.908
  374    HG   SER  54           HG       SER  54  14.125   6.548  -6.294
  375    H    MET  55           H        MET  55   9.467   8.419  -5.974
  376    HA   MET  55           HA       MET  55   8.369   9.207  -7.681
  377   1HB   MET  55          1HB       MET  55  10.550  11.144  -7.127
  378   2HB   MET  55          2HB       MET  55   9.948  11.283  -8.767
  379   1HG   MET  55          1HG       MET  55   8.463  12.707  -7.653
  380   2HG   MET  55          2HG       MET  55   7.556  11.208  -7.599
  381   1HE   MET  55          1HE       MET  55   7.120   9.876  -6.016
  382   2HE   MET  55          2HE       MET  55   8.263   9.502  -4.703
  383   3HE   MET  55          3HE       MET  55   6.806  10.469  -4.367
  384    H    ASP  56           H        ASP  56  10.131   6.978  -8.273
  385    HA   ASP  56           HA       ASP  56  10.510   7.539 -11.098
  386   1HB   ASP  56          1HB       ASP  56  12.441   6.191  -9.174
  387   2HB   ASP  56          2HB       ASP  56  12.502   5.843 -10.890
  388    H    LYS  57           H        LYS  57   8.319   6.434 -11.122
  389    HA   LYS  57           HA       LYS  57   7.671   4.043 -10.064
  390   1HB   LYS  57          1HB       LYS  57   6.037   5.284 -11.242
  391   2HB   LYS  57          2HB       LYS  57   6.971   5.286 -12.725
  392   1HG   LYS  57          1HG       LYS  57   6.489   2.543 -11.806
  393   2HG   LYS  57          2HG       LYS  57   4.979   3.417 -11.970
  394   1HD   LYS  57          1HD       LYS  57   6.955   3.766 -14.200
  395   2HD   LYS  57          2HD       LYS  57   6.225   2.179 -14.058
  396   1HE   LYS  57          1HE       LYS  57   3.940   3.307 -14.010
  397   2HE   LYS  57          2HE       LYS  57   4.739   4.834 -14.330
  398   1HZ   LYS  57          1HZ       LYS  57   5.767   3.389 -16.295
  399   2HZ   LYS  57          2HZ       LYS  57   4.372   2.565 -16.128
  400    H    LYS  58           H        LYS  58   9.613   4.622 -13.053
  401    HA   LYS  58           HA       LYS  58   9.980   1.789 -13.412
  402   1HB   LYS  58          1HB       LYS  58  10.737   4.279 -14.901
  403   2HB   LYS  58          2HB       LYS  58  11.625   2.803 -15.220
  404   1HG   LYS  58          1HG       LYS  58   9.618   1.616 -15.869
  405   2HG   LYS  58          2HG       LYS  58   8.579   2.875 -15.232
  406   1HD   LYS  58          1HD       LYS  58   8.625   3.965 -17.218
  407   2HD   LYS  58          2HD       LYS  58  10.370   4.102 -17.132
  408   1HE   LYS  58          1HE       LYS  58  10.054   2.872 -19.123
  409   2HE   LYS  58          2HE       LYS  58  10.409   1.613 -17.956
  410   1HZ   LYS  58          1HZ       LYS  58   7.897   2.188 -19.290
  411   2HZ   LYS  58          2HZ       LYS  58   8.472   0.762 -18.754
  412    H    ASP  59           H        ASP  59  10.771   1.929 -10.955
  413    HA   ASP  59           HA       ASP  59  13.574   1.548 -11.153
  414   1HB   ASP  59          1HB       ASP  59  13.403   4.026 -10.743
  415   2HB   ASP  59          2HB       ASP  59  12.492   3.707  -9.280
  416    H    LYS  60           H        LYS  60  13.227  -0.569 -10.318
  417    HA   LYS  60           HA       LYS  60  11.641  -0.809  -7.886
  418   1HB   LYS  60          1HB       LYS  60  12.720  -2.843  -9.854
  419   2HB   LYS  60          2HB       LYS  60  11.922  -3.280  -8.357
  420   1HG   LYS  60          1HG       LYS  60   9.965  -3.137  -9.506
  421   2HG   LYS  60          2HG       LYS  60  10.167  -1.398  -9.444
  422   1HD   LYS  60          1HD       LYS  60  11.826  -2.313 -11.587
  423   2HD   LYS  60          2HD       LYS  60  10.306  -3.170 -11.750
  424   1HE   LYS  60          1HE       LYS  60   9.044  -1.168 -11.973
  425   2HE   LYS  60          2HE       LYS  60  10.286  -0.183 -11.226
  426   1HZ   LYS  60          1HZ       LYS  60   9.975  -0.397 -13.878
  427   2HZ   LYS  60          2HZ       LYS  60  11.396   0.000 -13.188
  428    H    SER  61           H        SER  61  12.479  -1.583  -5.920
  429    HA   SER  61           HA       SER  61  14.883  -2.711  -5.510
  430   1HB   SER  61          1HB       SER  61  16.187  -0.933  -6.341
  431   2HB   SER  61          2HB       SER  61  15.099   0.294  -5.723
  432    HG   SER  61           HG       SER  61  17.068   0.165  -4.473
  433    H    ALA  62           H        ALA  62  13.170   0.243  -4.233
  434    HA   ALA  62           HA       ALA  62  11.801  -0.975  -2.218
  435   1HB   ALA  62          1HB       ALA  62  14.646  -0.904  -1.660
  436   2HB   ALA  62          2HB       ALA  62  13.764   0.099  -0.484
  437   3HB   ALA  62          3HB       ALA  62  13.328  -1.613  -0.697
  438    H    LYS  63           H        LYS  63  13.898   1.796  -3.142
  439    HA   LYS  63           HA       LYS  63  12.388   3.674  -1.633
  440   1HB   LYS  63          1HB       LYS  63  13.769   5.334  -2.747
  441   2HB   LYS  63          2HB       LYS  63  14.755   4.009  -2.162
  442   1HG   LYS  63          1HG       LYS  63  14.252   3.052  -4.648
  443   2HG   LYS  63          2HG       LYS  63  14.062   4.760  -4.992
  444   1HD   LYS  63          1HD       LYS  63  16.353   4.550  -5.340
  445   2HD   LYS  63          2HD       LYS  63  16.355   4.979  -3.641
  446   1HE   LYS  63          1HE       LYS  63  16.603   2.651  -2.964
  447   2HE   LYS  63          2HE       LYS  63  16.300   2.081  -4.593
  448   1HZ   LYS  63          1HZ       LYS  63  18.487   3.938  -4.488
  449   2HZ   LYS  63          2HZ       LYS  63  18.763   2.631  -3.557
  450    H    GLY  64           H        GLY  64  11.630   1.821  -4.336
  451   1HA   GLY  64          1HA       GLY  64  10.258   3.822  -5.880
  452   2HA   GLY  64          2HA       GLY  64  10.221   2.084  -6.097
  453    H    TYR  65           H        TYR  65   8.721   4.871  -4.517
  454    HA   TYR  65           HA       TYR  65   7.064   3.671  -2.695
  455   1HB   TYR  65          1HB       TYR  65   7.303   6.119  -3.053
  456   2HB   TYR  65          2HB       TYR  65   6.745   5.975  -4.708
  457    HD1  TYR  65           HD1      TYR  65   5.561   5.323  -1.207
  458    HD2  TYR  65           HD2      TYR  65   4.525   6.484  -5.192
  459    HE1  TYR  65           HE1      TYR  65   3.183   5.813  -0.454
  460    HE2  TYR  65           HE2      TYR  65   2.150   6.970  -4.425
  461    HH   TYR  65           HH       TYR  65   0.749   5.845  -2.086
  462    H    TYR  66           H        TYR  66   6.663   3.989  -6.265
  463    HA   TYR  66           HA       TYR  66   4.045   2.815  -6.186
  464   1HB   TYR  66          1HB       TYR  66   4.499   4.367  -7.973
  465   2HB   TYR  66          2HB       TYR  66   6.138   3.782  -8.180
  466    HD1  TYR  66           HD1      TYR  66   6.489   1.499  -9.279
  467    HD2  TYR  66           HD2      TYR  66   2.731   3.545  -9.319
  468    HE1  TYR  66           HE1      TYR  66   5.725   0.072 -11.239
  469    HE2  TYR  66           HE2      TYR  66   1.980   2.110 -11.279
  470    HH   TYR  66           HH       TYR  66   2.973   0.845 -13.066
  471    H    HIS  67           H        HIS  67   7.068   1.524  -5.638
  472    HA   HIS  67           HA       HIS  67   6.518  -0.902  -7.155
  473   1HB   HIS  67          1HB       HIS  67   8.702  -0.530  -7.582
  474   2HB   HIS  67          2HB       HIS  67   8.937   0.449  -6.148
  475    HD1  HIS  67           HD1      HIS  67   9.402  -2.982  -7.477
  476    HD2  HIS  67           HD2      HIS  67   9.488  -1.079  -3.740
  477    HE1  HIS  67           HE1      HIS  67  10.552  -4.602  -5.876
  478    H    VAL  68           H        VAL  68   6.364   0.524  -3.968
  479    HA   VAL  68           HA       VAL  68   6.222  -2.109  -2.718
  480    HB   VAL  68           HB       VAL  68   5.998  -0.585  -0.643
  481   1HG1  VAL  68          1HG1      VAL  68   8.042  -1.918  -1.592
  482   2HG1  VAL  68          2HG1      VAL  68   8.665  -0.304  -2.007
  483   3HG1  VAL  68          3HG1      VAL  68   8.292  -0.705  -0.314
  484   1HG2  VAL  68          3HG2      VAL  68   5.537   1.469  -2.065
  485   2HG2  VAL  68          1HG2      VAL  68   6.781   1.655  -0.805
  486   3HG2  VAL  68          2HG2      VAL  68   7.261   1.443  -2.506
  487    H    MET  69           H        MET  69   4.206  -0.459  -4.595
  488    HA   MET  69           HA       MET  69   1.938  -0.913  -2.811
  489   1HB   MET  69          1HB       MET  69   2.152   1.010  -5.195
  490   2HB   MET  69          2HB       MET  69   0.765   0.859  -4.135
  491   1HG   MET  69          1HG       MET  69   3.472   1.493  -2.930
  492   2HG   MET  69          2HG       MET  69   2.571   2.772  -3.719
  493   1HE   MET  69          3HE       MET  69   3.627   1.612  -0.882
  494   2HE   MET  69          1HE       MET  69   2.897   3.103  -0.241
  495   3HE   MET  69          2HE       MET  69   2.374   1.518   0.379
  496    H    HIS  70           H        HIS  70   3.623  -1.939  -5.603
  497    HA   HIS  70           HA       HIS  70   1.283  -3.478  -6.411
  498   1HB   HIS  70          1HB       HIS  70   3.142  -2.270  -8.458
  499   2HB   HIS  70          2HB       HIS  70   1.598  -3.055  -8.719
  500    HD1  HIS  70           HD1      HIS  70   3.016   0.141  -7.178
  501    HD2  HIS  70           HD2      HIS  70  -0.573  -1.357  -8.749
  502    HE1  HIS  70           HE1      HIS  70   1.408   2.119  -7.299
  503    H    ASP  71           H        ASP  71   4.800  -2.998  -7.223
  504    HA   ASP  71           HA       ASP  71   5.488  -5.364  -8.062
  505   1HB   ASP  71          1HB       ASP  71   6.867  -3.235  -7.060
  506   2HB   ASP  71          2HB       ASP  71   7.192  -4.393  -5.786
  507    H    LYS  72           H        LYS  72   5.681  -7.512  -7.273
  508    HA   LYS  72           HA       LYS  72   4.636  -7.942  -4.589
  509   1HB   LYS  72          1HB       LYS  72   4.935  -9.682  -7.037
  510   2HB   LYS  72          2HB       LYS  72   4.616 -10.375  -5.459
  511   1HG   LYS  72          1HG       LYS  72   2.705  -8.482  -5.397
  512   2HG   LYS  72          2HG       LYS  72   2.860  -8.587  -7.139
  513   1HD   LYS  72          1HD       LYS  72   1.132 -10.154  -6.443
  514   2HD   LYS  72          2HD       LYS  72   2.514 -11.082  -6.991
  515   1HE   LYS  72          1HE       LYS  72   2.711 -10.458  -4.122
  516   2HE   LYS  72          2HE       LYS  72   1.224 -11.307  -4.490
  517   1HZ   LYS  72          1HZ       LYS  72   3.855 -12.262  -5.470
  518   2HZ   LYS  72          2HZ       LYS  72   3.223 -12.759  -4.054
  519    H    ASN  73           H        ASN  73   7.495  -8.633  -6.675
  520    HA   ASN  73           HA       ASN  73   8.836 -10.178  -4.832
  521   1HB   ASN  73          1HB       ASN  73   9.421  -8.777  -7.347
  522   2HB   ASN  73          2HB       ASN  73  10.795  -8.678  -6.264
  523   1HD2  ASN  73          2HD2      ASN  73  10.872 -11.789  -8.413
  524   2HD2  ASN  73          1HD2      ASN  73  10.613 -10.106  -8.729
  525    H    THR  74           H        THR  74   8.478  -9.040  -2.741
  526    HA   THR  74           HA       THR  74  10.491  -6.987  -2.288
  527    HB   THR  74           HB       THR  74   8.779  -5.536  -1.151
  528    HG1  THR  74           HG1      THR  74   7.028  -6.853  -0.703
  529   1HG2  THR  74          2HG2      THR  74   9.244  -5.435  -3.770
  530   2HG2  THR  74          3HG2      THR  74   7.623  -6.160  -3.888
  531   3HG2  THR  74          1HG2      THR  74   7.835  -4.578  -3.102
  532    H    LYS  75           H        LYS  75  11.187  -6.829  -0.105
  533    HA   LYS  75           HA       LYS  75  11.118  -9.301   1.229
  534   1HB   LYS  75          1HB       LYS  75  13.047  -7.858   1.358
  535   2HB   LYS  75          2HB       LYS  75  12.103  -6.558   2.057
  536   1HG   LYS  75          1HG       LYS  75  11.888  -9.123   3.543
  537   2HG   LYS  75          2HG       LYS  75  13.512  -8.466   3.504
  538   1HD   LYS  75          1HD       LYS  75  12.852  -6.432   4.568
  539   2HD   LYS  75          2HD       LYS  75  11.158  -6.675   4.194
  540   1HE   LYS  75          1HE       LYS  75  10.814  -7.894   6.088
  541   2HE   LYS  75          2HE       LYS  75  12.204  -8.914   5.775
  542   1HZ   LYS  75          1HZ       LYS  75  12.018  -6.774   7.597
  543   2HZ   LYS  75          2HZ       LYS  75  13.274  -7.786   7.376
  544    H    PHE  76           H        PHE  76   8.995  -6.523   1.207
  545    HA   PHE  76           HA       PHE  76   7.621  -7.634   3.562
  546   1HB   PHE  76          1HB       PHE  76   7.874  -4.805   2.366
  547   2HB   PHE  76          2HB       PHE  76   6.782  -5.177   3.685
  548    HD1  PHE  76           HD2      PHE  76   8.023  -6.486   5.726
  549    HD2  PHE  76           HD1      PHE  76   9.906  -3.850   2.932
  550    HE1  PHE  76           HE2      PHE  76   9.894  -6.048   7.391
  551    HE2  PHE  76           HE1      PHE  76  11.771  -3.420   4.606
  552    HZ   PHE  76           HZ       PHE  76  11.684  -4.610   6.851
  553    H    LYS  77           H        LYS  77   5.237  -7.419   3.543
  554    HA   LYS  77           HA       LYS  77   4.195  -8.243   1.055
  555   1HB   LYS  77          1HB       LYS  77   2.889  -7.494   3.684
  556   2HB   LYS  77          2HB       LYS  77   2.001  -8.107   2.303
  557   1HG   LYS  77          1HG       LYS  77   4.223  -9.866   2.629
  558   2HG   LYS  77          2HG       LYS  77   3.613  -9.573   4.245
  559   1HD   LYS  77          1HD       LYS  77   1.278  -9.934   2.712
  560   2HD   LYS  77          2HD       LYS  77   2.398 -11.103   2.040
  561   1HE   LYS  77          1HE       LYS  77   2.859 -11.972   4.354
  562   2HE   LYS  77          2HE       LYS  77   1.705 -10.824   5.004
  563   1HZ   LYS  77          1HZ       LYS  77   0.828 -12.653   2.870
  564   2HZ   LYS  77          2HZ       LYS  77   0.922 -13.215   4.396
  565    H    SER  78           H        SER  78   3.344  -7.099  -0.615
  566    HA   SER  78           HA       SER  78   3.252  -4.231  -0.227
  567   1HB   SER  78          1HB       SER  78   3.993  -4.081  -2.363
  568   2HB   SER  78          2HB       SER  78   4.288  -5.805  -2.270
  569    HG   SER  78           HG       SER  78   2.993  -5.311  -4.119
  570    H    CYS  79           H        CYS  79   1.397  -3.033  -1.376
  571    HA   CYS  79           HA       CYS  79  -1.003  -3.739  -0.341
  572   1HB   CYS  79          1HB       CYS  79  -0.595  -2.211  -2.919
  573   2HB   CYS  79          2HB       CYS  79  -2.015  -2.165  -1.894
  574    H    VAL  80           H        VAL  80  -0.126  -4.028  -3.870
  575    HA   VAL  80           HA       VAL  80  -2.272  -5.738  -4.446
  576    HB   VAL  80           HB       VAL  80   0.335  -5.169  -5.866
  577   1HG1  VAL  80          1HG1      VAL  80  -1.920  -6.991  -6.544
  578   2HG1  VAL  80          2HG1      VAL  80  -1.296  -5.963  -7.857
  579   3HG1  VAL  80          3HG1      VAL  80  -0.200  -7.071  -6.996
  580   1HG2  VAL  80          3HG2      VAL  80  -2.263  -3.797  -5.665
  581   2HG2  VAL  80          1HG2      VAL  80  -0.670  -3.178  -6.162
  582   3HG2  VAL  80          2HG2      VAL  80  -1.695  -4.039  -7.334
  583    H    GLY  81           H        GLY  81   1.103  -6.273  -3.379
  584   1HA   GLY  81          1HA       GLY  81   1.426  -8.946  -3.945
  585   2HA   GLY  81          2HA       GLY  81   2.112  -8.111  -2.566
  586    H    CYS  82           H        CYS  82   0.185  -7.541  -0.820
  587    HA   CYS  82           HA       CYS  82  -0.518 -10.026   0.226
  588   1HB   CYS  82          1HB       CYS  82  -0.140  -7.994   1.589
  589   2HB   CYS  82          2HB       CYS  82  -1.609  -7.286   0.947
  590    H    HIS  83           H        HIS  83  -2.352  -7.458  -1.552
  591    HA   HIS  83           HA       HIS  83  -4.859  -8.542  -1.358
  592   1HB   HIS  83          1HB       HIS  83  -3.485  -6.823  -3.405
  593   2HB   HIS  83          2HB       HIS  83  -5.118  -7.386  -3.698
  594    HD1  HIS  83           HD1      HIS  83  -6.083  -4.974  -3.515
  595    HD2  HIS  83           HD2      HIS  83  -4.163  -6.328  -0.041
  596    HE1  HIS  83           HE1      HIS  83  -6.703  -3.327  -1.668
  597    H    VAL  84           H        VAL  84  -2.205  -9.279  -3.688
  598    HA   VAL  84           HA       VAL  84  -3.651 -10.961  -5.350
  599    HB   VAL  84           HB       VAL  84  -0.738 -10.898  -4.551
  600   1HG1  VAL  84          1HG1      VAL  84  -1.509 -13.141  -5.451
  601   2HG1  VAL  84          2HG1      VAL  84  -1.889 -12.306  -6.975
  602   3HG1  VAL  84          3HG1      VAL  84  -0.214 -12.340  -6.373
  603   1HG2  VAL  84          2HG2      VAL  84  -2.316  -9.163  -6.120
  604   2HG2  VAL  84          3HG2      VAL  84  -0.542  -9.186  -5.968
  605   3HG2  VAL  84          1HG2      VAL  84  -1.336 -10.110  -7.266
  606    H    GLU  85           H        GLU  85  -2.088 -11.516  -2.171
  607    HA   GLU  85           HA       GLU  85  -2.477 -14.314  -2.307
  608   1HB   GLU  85          1HB       GLU  85  -1.368 -12.345  -0.394
  609   2HB   GLU  85          2HB       GLU  85  -2.152 -13.705   0.386
  610   1HG   GLU  85          1HG       GLU  85  -0.562 -14.695  -1.831
  611   2HG   GLU  85          2HG       GLU  85   0.435 -13.635  -0.854
  612    H    VAL  86           H        VAL  86  -4.303 -11.499  -1.096
  613    HA   VAL  86           HA       VAL  86  -6.159 -13.054   0.400
  614    HB   VAL  86           HB       VAL  86  -6.258 -10.218  -0.646
  615   1HG1  VAL  86          2HG1      VAL  86  -8.451 -11.500   0.087
  616   2HG1  VAL  86          3HG1      VAL  86  -7.838 -11.159   1.723
  617   3HG1  VAL  86          1HG1      VAL  86  -8.158  -9.820   0.595
  618   1HG2  VAL  86          1HG2      VAL  86  -4.421 -11.089   1.063
  619   2HG2  VAL  86          2HG2      VAL  86  -5.209  -9.507   1.268
  620   3HG2  VAL  86          3HG2      VAL  86  -5.757 -10.904   2.225
  621    H    ALA  87           H        ALA  87  -6.279 -11.317  -2.789
  622    HA   ALA  87           HA       ALA  87  -8.840 -12.277  -3.435
  623   1HB   ALA  87          1HB       ALA  87  -6.838 -10.546  -4.519
  624   2HB   ALA  87          2HB       ALA  87  -7.277 -11.721  -5.782
  625   3HB   ALA  87          3HB       ALA  87  -8.537 -10.719  -5.022
  626    H    GLY  88           H        GLY  88  -5.513 -13.519  -3.911
  627   1HA   GLY  88          1HA       GLY  88  -4.759 -15.530  -4.570
  628   2HA   GLY  88          2HA       GLY  88  -6.325 -16.184  -4.132
  629    H    ALA  89           H        ALA  89  -7.661 -16.938  -5.741
  630    HA   ALA  89           HA       ALA  89  -6.902 -16.201  -8.484
  631   1HB   ALA  89          3HB       ALA  89  -6.526 -18.601  -7.706
  632   2HB   ALA  89          1HB       ALA  89  -8.295 -18.744  -7.576
  633   3HB   ALA  89          2HB       ALA  89  -7.543 -18.409  -9.154
  634    H    ASP  90           H        ASP  90  -8.841 -15.000  -6.345
  635    HA   ASP  90           HA       ASP  90 -11.351 -15.470  -7.666
  636   1HB   ASP  90          1HB       ASP  90 -11.061 -15.235  -5.130
  637   2HB   ASP  90          2HB       ASP  90 -10.696 -13.541  -5.392
  638    H    ALA  91           H        ALA  91 -10.833 -14.443  -9.758
  639    HA   ALA  91           HA       ALA  91  -9.663 -12.021 -10.161
  640   1HB   ALA  91          3HB       ALA  91 -11.902 -13.476 -11.601
  641   2HB   ALA  91          1HB       ALA  91 -11.199 -11.966 -12.226
  642   3HB   ALA  91          2HB       ALA  91 -10.174 -13.407 -12.023
  643    H    ALA  92           H        ALA  92 -13.156 -12.705  -9.471
  644    HA   ALA  92           HA       ALA  92 -14.194 -10.220  -9.706
  645   1HB   ALA  92          3HB       ALA  92 -14.776 -12.680  -8.212
  646   2HB   ALA  92          1HB       ALA  92 -15.400 -11.221  -7.405
  647   3HB   ALA  92          2HB       ALA  92 -15.879 -11.586  -9.080
  648    H    LYS  93           H        LYS  93 -11.876 -11.399  -7.313
  649    HA   LYS  93           HA       LYS  93 -12.191  -8.908  -5.808
  650   1HB   LYS  93          1HB       LYS  93 -10.958 -11.581  -5.117
  651   2HB   LYS  93          2HB       LYS  93 -10.700 -10.147  -4.145
  652   1HG   LYS  93          1HG       LYS  93 -13.538 -10.413  -4.751
  653   2HG   LYS  93          2HG       LYS  93 -12.941 -11.916  -4.076
  654   1HD   LYS  93          1HD       LYS  93 -12.162 -10.838  -2.071
  655   2HD   LYS  93          2HD       LYS  93 -12.280  -9.241  -2.784
  656   1HE   LYS  93          1HE       LYS  93 -14.247  -9.243  -1.543
  657   2HE   LYS  93          2HE       LYS  93 -14.865  -9.896  -3.047
  658   1HZ   LYS  93          1HZ       LYS  93 -14.100 -11.442  -0.635
  659   2HZ   LYS  93          2HZ       LYS  93 -15.579 -11.339  -1.308
  660    H    LYS  94           H        LYS  94  -9.884 -10.938  -7.669
  661    HA   LYS  94           HA       LYS  94  -7.648  -9.307  -7.196
  662   1HB   LYS  94          1HB       LYS  94  -6.600 -10.927  -8.313
  663   2HB   LYS  94          2HB       LYS  94  -8.145 -11.748  -8.394
  664   1HG   LYS  94          1HG       LYS  94  -8.607 -10.371 -10.538
  665   2HG   LYS  94          2HG       LYS  94  -6.918  -9.907 -10.490
  666   1HD   LYS  94          1HD       LYS  94  -6.909 -12.722 -10.122
  667   2HD   LYS  94          2HD       LYS  94  -8.115 -12.435 -11.361
  668   1HE   LYS  94          1HE       LYS  94  -5.916 -12.729 -12.419
  669   2HE   LYS  94          2HE       LYS  94  -6.460 -11.081 -12.663
  670   1HZ   LYS  94          1HZ       LYS  94  -5.020 -10.346 -10.893
  671   2HZ   LYS  94          2HZ       LYS  94  -4.628 -11.866 -10.461
  672    H    LYS  95           H        LYS  95 -10.561  -8.658  -8.812
  673    HA   LYS  95           HA       LYS  95  -9.258  -6.801 -10.660
  674   1HB   LYS  95          1HB       LYS  95 -11.292  -8.588 -11.085
  675   2HB   LYS  95          2HB       LYS  95 -12.192  -7.120 -10.761
  676   1HG   LYS  95          1HG       LYS  95 -11.193  -5.947 -12.575
  677   2HG   LYS  95          2HG       LYS  95  -9.829  -7.044 -12.661
  678   1HD   LYS  95          1HD       LYS  95 -12.260  -8.572 -13.056
  679   2HD   LYS  95          2HD       LYS  95 -12.303  -7.179 -14.118
  680   1HE   LYS  95          1HE       LYS  95 -10.695  -8.051 -15.473
  681   2HE   LYS  95          2HE       LYS  95  -9.629  -8.370 -14.119
  682   1HZ   LYS  95          1HZ       LYS  95 -10.321 -10.429 -15.232
  683   2HZ   LYS  95          2HZ       LYS  95 -10.861 -10.426 -13.695
  684    H    ASP  96           H        ASP  96 -10.875  -7.040  -7.596
  685    HA   ASP  96           HA       ASP  96 -11.355  -4.167  -7.686
  686   1HB   ASP  96          1HB       ASP  96 -12.851  -6.440  -6.586
  687   2HB   ASP  96          2HB       ASP  96 -12.530  -5.249  -5.341
  688    H    LEU  97           H        LEU  97  -9.082  -6.412  -6.810
  689    HA   LEU  97           HA       LEU  97  -8.327  -4.909  -4.402
  690   1HB   LEU  97          1HB       LEU  97  -8.205  -7.866  -4.948
  691   2HB   LEU  97          2HB       LEU  97  -7.181  -7.105  -3.747
  692    HG   LEU  97           HG       LEU  97 -10.176  -7.415  -3.750
  693   1HD1  LEU  97          2HD1      LEU  97  -8.679  -9.171  -2.773
  694   2HD1  LEU  97          3HD1      LEU  97  -8.139  -7.966  -1.579
  695   3HD1  LEU  97          1HD1      LEU  97  -9.847  -8.466  -1.631
  696   1HD2  LEU  97          2HD2      LEU  97  -8.556  -5.350  -2.267
  697   2HD2  LEU  97          3HD2      LEU  97 -10.061  -5.148  -3.197
  698   3HD2  LEU  97          1HD2      LEU  97 -10.092  -5.978  -1.623
  699    H    THR  98           H        THR  98  -7.142  -6.995  -7.125
  700    HA   THR  98           HA       THR  98  -4.672  -5.391  -7.080
  701    HB   THR  98           HB       THR  98  -3.561  -7.378  -7.902
  702    HG1  THR  98           HG1      THR  98  -4.835  -9.009  -8.866
  703   1HG2  THR  98          1HG2      THR  98  -5.746  -8.261  -5.944
  704   2HG2  THR  98          2HG2      THR  98  -4.301  -9.217  -6.352
  705   3HG2  THR  98          3HG2      THR  98  -4.129  -7.664  -5.499
  706    H    GLY  99           H        GLY  99  -7.544  -5.145  -8.442
  707   1HA   GLY  99          1HA       GLY  99  -7.116  -5.335 -11.215
  708   2HA   GLY  99          2HA       GLY  99  -8.334  -4.375 -10.400
  709    H    CYS 100           H        CYS 100  -6.584  -3.745 -12.783
  710    HA   CYS 100           HA       CYS 100  -4.781  -1.743 -11.787
  711   1HB   CYS 100          1HB       CYS 100  -5.478  -2.846 -14.481
  712   2HB   CYS 100          2HB       CYS 100  -4.697  -1.281 -14.381
  713    H    LYS 101           H        LYS 101  -7.995  -2.038 -13.382
  714    HA   LYS 101           HA       LYS 101  -8.493   0.746 -12.651
  715   1HB   LYS 101          1HB       LYS 101  -7.826   0.307 -15.170
  716   2HB   LYS 101          2HB       LYS 101  -9.482  -0.250 -15.303
  717   1HG   LYS 101          1HG       LYS 101 -10.280   1.921 -14.322
  718   2HG   LYS 101          2HG       LYS 101  -8.621   2.477 -14.224
  719   1HD   LYS 101          1HD       LYS 101  -9.455   3.408 -16.259
  720   2HD   LYS 101          2HD       LYS 101  -8.455   2.060 -16.762
  721   1HE   LYS 101          1HE       LYS 101 -10.656   0.647 -16.702
  722   2HE   LYS 101          2HE       LYS 101 -11.492   2.185 -16.632
  723   1HZ   LYS 101          1HZ       LYS 101 -10.893   2.679 -18.774
  724   2HZ   LYS 101          2HZ       LYS 101  -9.454   1.920 -18.706
  725    H    LYS 102           H        LYS 102 -10.727   1.209 -12.205
  726    HA   LYS 102           HA       LYS 102 -12.735   0.748 -11.415
  727   1HB   LYS 102          1HB       LYS 102 -12.698  -0.471 -13.829
  728   2HB   LYS 102          2HB       LYS 102 -13.019  -1.860 -12.811
  729   1HG   LYS 102          1HG       LYS 102 -15.190  -1.219 -12.706
  730   2HG   LYS 102          2HG       LYS 102 -14.691   0.184 -11.781
  731   1HD   LYS 102          1HD       LYS 102 -14.068   1.044 -14.311
  732   2HD   LYS 102          2HD       LYS 102 -15.407  -0.025 -14.679
  733   1HE   LYS 102          1HE       LYS 102 -15.814   1.823 -12.354
  734   2HE   LYS 102          2HE       LYS 102 -15.727   2.586 -13.929
  735   1HZ   LYS 102          1HZ       LYS 102 -17.838   1.926 -14.232
  736   2HZ   LYS 102          2HZ       LYS 102 -17.369   0.367 -14.237
  737    H    SER 103           H        SER 103 -10.412   0.017  -9.907
  738    HA   SER 103           HA       SER 103 -11.387  -2.406  -8.612
  739   1HB   SER 103          1HB       SER 103  -8.871  -1.992  -7.558
  740   2HB   SER 103          2HB       SER 103  -9.230  -3.060  -8.899
  741    HG   SER 103           HG       SER 103  -8.471  -0.272  -9.127
  742    H    LYS 104           H        LYS 104 -10.175  -2.178  -6.111
  743    HA   LYS 104           HA       LYS 104 -11.822  -0.185  -4.908
  744   1HB   LYS 104          1HB       LYS 104  -9.966  -2.335  -3.914
  745   2HB   LYS 104          2HB       LYS 104 -10.557  -1.108  -2.812
  746   1HG   LYS 104          1HG       LYS 104 -12.486  -2.609  -4.617
  747   2HG   LYS 104          2HG       LYS 104 -11.943  -3.323  -3.111
  748   1HD   LYS 104          1HD       LYS 104 -13.194  -1.890  -1.827
  749   2HD   LYS 104          2HD       LYS 104 -12.813  -0.501  -2.825
  750   1HE   LYS 104          1HE       LYS 104 -14.413  -1.546  -4.597
  751   2HE   LYS 104          2HE       LYS 104 -14.950  -2.615  -3.316
  752   1HZ   LYS 104          1HZ       LYS 104 -15.667   0.085  -3.727
  753   2HZ   LYS 104          2HZ       LYS 104 -16.266  -0.951  -2.623
  754    H    CYS 105           H        CYS 105  -8.456  -0.473  -5.946
  755    HA   CYS 105           HA       CYS 105  -7.696   1.840  -4.392
  756   1HB   CYS 105          1HB       CYS 105  -6.004   0.373  -6.430
  757   2HB   CYS 105          2HB       CYS 105  -5.462   1.430  -5.142
  758    H    HIS 106           H        HIS 106  -7.423   0.862  -7.896
  759    HA   HIS 106           HA       HIS 106  -7.697   3.669  -8.592
  760   1HB   HIS 106          1HB       HIS 106  -6.899   1.259 -10.249
  761   2HB   HIS 106          2HB       HIS 106  -6.980   2.904 -10.847
  762    HD1  HIS 106           HD1      HIS 106  -5.464   4.612  -9.016
  763    HD2  HIS 106           HD2      HIS 106  -4.320   0.629  -9.670
  764    HE1  HIS 106           HE1      HIS 106  -3.003   4.458  -8.361
  765    H    GLU 107           H        GLU 107  -9.307   4.433 -10.068
  766    HA   GLU 107           HA       GLU 107 -11.344   2.523 -10.790
  767   1HB   GLU 107          1HB       GLU 107 -11.766   4.876  -8.931
  768   2HB   GLU 107          2HB       GLU 107 -13.076   4.331  -9.958
  769   1HG   GLU 107          1HG       GLU 107 -12.864   2.025  -9.018
  770   2HG   GLU 107          2HG       GLU 107 -11.538   2.556  -8.003
  771    HHA  HEC 108           HHA      HEC 108  -0.934   6.620   7.417
  772    HHB  HEC 108           HHB      HEC 108  -1.796   4.022  13.215
  773    HHC  HEC 108           HHC      HEC 108  -2.603  -1.738  10.529
  774    HHD  HEC 108           HHD      HEC 108  -1.191   0.792   4.759
  775   1HMA  HEC 108          1HMA      HEC 108  -1.967   7.600  12.592
  776   2HMA  HEC 108          2HMA      HEC 108  -1.856   6.029  13.421
  777   3HMA  HEC 108          3HMA      HEC 108  -0.374   6.913  12.988
  778   1HAA  HEC 108          1HAA      HEC 108  -0.357   8.016   8.842
  779   2HAA  HEC 108          2HAA      HEC 108  -1.834   8.492   9.713
  780   1HBA  HEC 108          1HBA      HEC 108   0.476   7.972  11.455
  781   2HBA  HEC 108          2HBA      HEC 108   0.692   9.322  10.316
  782   1HMB  HEC 108          1HMB      HEC 108  -2.760   0.891  15.100
  783   2HMB  HEC 108          2HMB      HEC 108  -1.913   2.429  14.805
  784   3HMB  HEC 108          3HMB      HEC 108  -3.676   2.325  14.578
  785    HAB  HEC 108           HAB      HEC 108  -3.329  -1.846  12.384
  786   1HBB  HEC 108          1HBB      HEC 108  -4.139  -0.567  14.970
  787   2HBB  HEC 108          2HBB      HEC 108  -5.083  -0.262  13.492
  788   3HBB  HEC 108          3HBB      HEC 108  -4.873  -1.926  14.087
  789   1HMC  HEC 108          1HMC      HEC 108  -3.093  -3.122   9.070
  790   2HMC  HEC 108          2HMC      HEC 108  -3.370  -3.436   7.340
  791   3HMC  HEC 108          3HMC      HEC 108  -1.753  -3.683   8.042
  792    HAC  HEC 108           HAC      HEC 108  -2.018  -1.098   4.433
  793   1HBC  HEC 108          1HBC      HEC 108  -3.818  -2.664   5.558
  794   2HBC  HEC 108          2HBC      HEC 108  -3.092  -3.062   3.982
  795   3HBC  HEC 108          3HBC      HEC 108  -2.504  -3.860   5.460
  796   1HMD  HEC 108          1HMD      HEC 108  -1.423   2.949   2.968
  797   2HMD  HEC 108          2HMD      HEC 108   0.090   3.887   3.002
  798   3HMD  HEC 108          3HMD      HEC 108   0.098   2.167   3.463
  799   1HAD  HEC 108          1HAD      HEC 108  -0.639   6.828   5.427
  800   2HAD  HEC 108          2HAD      HEC 108   0.802   6.050   4.728
  801   1HBD  HEC 108          1HBD      HEC 108  -1.440   5.289   3.151
  802   2HBD  HEC 108          2HBD      HEC 108  -1.517   7.049   3.410
  803    HHA  HEC 109           HHA      HEC 109  11.683  -2.201   1.746
  804    HHB  HEC 109           HHB      HEC 109   5.317  -1.540   1.359
  805    HHC  HEC 109           HHC      HEC 109   5.577   3.395   5.439
  806    HHD  HEC 109           HHD      HEC 109  12.054   3.327   4.970
  807   1HMA  HEC 109          1HMA      HEC 109   6.885  -3.410  -0.832
  808   2HMA  HEC 109          2HMA      HEC 109   7.024  -4.600   0.484
  809   3HMA  HEC 109          3HMA      HEC 109   5.791  -3.318   0.569
  810   1HAA  HEC 109          1HAA      HEC 109  10.958  -3.852   0.853
  811   2HAA  HEC 109          2HAA      HEC 109   9.506  -4.799   0.447
  812   1HBA  HEC 109          1HBA      HEC 109   9.300  -3.522  -1.659
  813   2HBA  HEC 109          2HBA      HEC 109  10.806  -2.663  -1.258
  814   1HMB  HEC 109          1HMB      HEC 109   3.419  -0.881   1.660
  815   2HMB  HEC 109          2HMB      HEC 109   2.842  -1.090   3.331
  816   3HMB  HEC 109          3HMB      HEC 109   2.381   0.358   2.405
  817    HAB  HEC 109           HAB      HEC 109   3.683   2.794   5.358
  818   1HBB  HEC 109          1HBB      HEC 109   1.798   1.741   6.057
  819   2HBB  HEC 109          2HBB      HEC 109   1.499   0.973   4.479
  820   3HBB  HEC 109          3HBB      HEC 109   2.744   0.315   5.567
  821   1HMC  HEC 109          1HMC      HEC 109   6.462   5.395   6.022
  822   2HMC  HEC 109          2HMC      HEC 109   7.157   4.885   7.579
  823   3HMC  HEC 109          3HMC      HEC 109   7.925   6.192   6.647
  824    HAC  HEC 109           HAC      HEC 109  11.585   4.894   6.040
  825   1HBC  HEC 109          1HBC      HEC 109  10.415   4.348   8.275
  826   2HBC  HEC 109          2HBC      HEC 109  11.459   5.786   8.179
  827   3HBC  HEC 109          3HBC      HEC 109   9.689   5.965   8.114
  828   1HMD  HEC 109          1HMD      HEC 109  13.910   2.939   4.185
  829   2HMD  HEC 109          2HMD      HEC 109  14.562   1.462   4.934
  830   3HMD  HEC 109          3HMD      HEC 109  14.913   1.823   3.227
  831   1HAD  HEC 109          1HAD      HEC 109  13.647  -1.843   2.167
  832   2HAD  HEC 109          2HAD      HEC 109  14.310  -0.388   1.385
  833   1HBD  HEC 109          1HBD      HEC 109  14.957  -0.496   4.223
  834   2HBD  HEC 109          2HBD      HEC 109  15.531  -1.928   3.336
  835    HHA  HEC 110           HHA      HEC 110 -10.197  -4.766   1.016
  836    HHB  HEC 110           HHB      HEC 110  -6.407   0.057  -0.852
  837    HHC  HEC 110           HHC      HEC 110  -1.421  -2.781   2.002
  838    HHD  HEC 110           HHD      HEC 110  -5.076  -7.938   3.211
  839   1HMA  HEC 110          1HMA      HEC 110  -8.618   0.738  -0.789
  840   2HMA  HEC 110          2HMA      HEC 110  -8.807  -0.197  -2.293
  841   3HMA  HEC 110          3HMA      HEC 110 -10.191   0.010  -1.192
  842   1HAA  HEC 110          1HAA      HEC 110 -11.243  -2.286  -1.371
  843   2HAA  HEC 110          2HAA      HEC 110 -11.286  -3.572  -0.140
  844   1HBA  HEC 110          1HBA      HEC 110 -11.241  -1.335   1.421
  845   2HBA  HEC 110          2HBA      HEC 110 -12.159  -0.769   0.005
  846   1HMB  HEC 110          1HMB      HEC 110  -4.673   1.571  -0.511
  847   2HMB  HEC 110          2HMB      HEC 110  -2.905   1.499  -0.697
  848   3HMB  HEC 110          3HMB      HEC 110  -3.959   0.771  -1.932
  849    HAB  HEC 110           HAB      HEC 110  -0.757  -1.099   1.173
  850   1HBB  HEC 110          1HBB      HEC 110  -0.862   1.569   0.041
  851   2HBB  HEC 110          2HBB      HEC 110  -2.092   1.340   1.307
  852   3HBB  HEC 110          3HBB      HEC 110  -0.376   1.030   1.666
  853   1HMC  HEC 110          1HMC      HEC 110  -0.262  -5.423   3.897
  854   2HMC  HEC 110          2HMC      HEC 110   0.003  -6.041   2.249
  855   3HMC  HEC 110          3HMC      HEC 110  -0.191  -4.293   2.523
  856    HAC  HEC 110           HAC      HEC 110  -3.152  -8.090   4.307
  857   1HBC  HEC 110          1HBC      HEC 110  -1.137  -6.884   5.138
  858   2HBC  HEC 110          2HBC      HEC 110  -0.904  -8.635   4.923
  859   3HBC  HEC 110          3HBC      HEC 110  -0.243  -7.496   3.725
  860   1HMD  HEC 110          1HMD      HEC 110  -8.690  -9.037   3.705
  861   2HMD  HEC 110          2HMD      HEC 110  -7.229  -9.485   2.792
  862   3HMD  HEC 110          3HMD      HEC 110  -7.079  -8.648   4.355
  863   1HAD  HEC 110          1HAD      HEC 110 -10.293  -8.198   2.682
  864   2HAD  HEC 110          2HAD      HEC 110 -10.771  -6.514   3.002
  865   1HBD  HEC 110          1HBD      HEC 110 -10.281  -6.680   0.230
  866   2HBD  HEC 110          2HBD      HEC 110 -11.217  -8.128   0.671
  867    HHA  HEC 111           HHA      HEC 111   0.459   5.470  -7.662
  868    HHB  HEC 111           HHB      HEC 111  -0.534   1.945 -12.924
  869    HHC  HEC 111           HHC      HEC 111  -3.224  -2.651  -9.357
  870    HHD  HEC 111           HHD      HEC 111  -2.945   1.272  -4.218
  871   1HMA  HEC 111          1HMA      HEC 111   0.714   5.338 -13.025
  872   2HMA  HEC 111          2HMA      HEC 111   1.953   4.069 -12.874
  873   3HMA  HEC 111          3HMA      HEC 111   0.333   3.663 -13.491
  874   1HAA  HEC 111          1HAA      HEC 111   0.764   6.837 -10.710
  875   2HAA  HEC 111          2HAA      HEC 111   1.407   6.351  -9.123
  876   1HBA  HEC 111          1HBA      HEC 111   3.462   6.080  -9.934
  877   2HBA  HEC 111          2HBA      HEC 111   2.882   5.161 -11.344
  878   1HMB  HEC 111          1HMB      HEC 111  -1.809  -0.130 -14.368
  879   2HMB  HEC 111          2HMB      HEC 111  -0.102  -0.119 -13.865
  880   3HMB  HEC 111          3HMB      HEC 111  -0.969  -1.664 -14.037
  881    HAB  HEC 111           HAB      HEC 111  -3.415  -3.158 -11.468
  882   1HBB  HEC 111          1HBB      HEC 111  -1.226  -4.494 -12.601
  883   2HBB  HEC 111          2HBB      HEC 111  -0.553  -3.478 -11.303
  884   3HBB  HEC 111          3HBB      HEC 111  -1.854  -4.638 -10.942
  885   1HMC  HEC 111          1HMC      HEC 111  -5.673  -2.790  -6.716
  886   2HMC  HEC 111          2HMC      HEC 111  -4.499  -3.361  -7.926
  887   3HMC  HEC 111          3HMC      HEC 111  -4.223  -3.684  -6.198
  888    HAC  HEC 111           HAC      HEC 111  -3.887  -0.393  -3.646
  889   1HBC  HEC 111          1HBC      HEC 111  -5.068  -3.086  -4.141
  890   2HBC  HEC 111          2HBC      HEC 111  -3.296  -2.920  -4.176
  891   3HBC  HEC 111          3HBC      HEC 111  -4.205  -2.448  -2.720
  892   1HMD  HEC 111          1HMD      HEC 111  -1.520   4.446  -2.854
  893   2HMD  HEC 111          2HMD      HEC 111  -2.581   3.027  -3.030
  894   3HMD  HEC 111          3HMD      HEC 111  -0.842   2.805  -2.723
  895   1HAD  HEC 111          1HAD      HEC 111   0.608   5.315  -4.018
  896   2HAD  HEC 111          2HAD      HEC 111   0.806   5.861  -5.701
  897   1HBD  HEC 111          1HBD      HEC 111  -1.593   6.779  -5.461
  898   2HBD  HEC 111          2HBD      HEC 111  -1.332   6.578  -3.712
   
  No H/Q in entry =         898
  Start of MODEL   10
    1   1H    ALA   1          1H        ALA   1  -2.363   5.304  23.722
    2   2H    ALA   1          2H        ALA   1  -3.681   4.682  22.936
    3    HA   ALA   1           HA       ALA   1  -0.971   4.999  22.073
    4   1HB   ALA   1          1HB       ALA   1  -2.266   2.451  22.043
    5   2HB   ALA   1          2HB       ALA   1  -2.236   3.057  20.370
    6   3HB   ALA   1          3HB       ALA   1  -0.720   2.910  21.291
    7    HA   PRO   2           HA       PRO   2  -3.061   7.434  19.174
    8   1HB   PRO   2          1HB       PRO   2  -1.503   7.276  16.935
    9   2HB   PRO   2          2HB       PRO   2  -1.104   8.285  18.310
   10   1HG   PRO   2          1HG       PRO   2   0.097   5.712  17.490
   11   2HG   PRO   2          2HG       PRO   2   0.739   6.925  18.579
   12   1HD   PRO   2          1HD       PRO   2  -0.464   4.426  19.311
   13   2HD   PRO   2          2HD       PRO   2   0.073   5.690  20.400
   14    H    LYS   3           H        LYS   3  -3.107   4.188  18.920
   15    HA   LYS   3           HA       LYS   3  -4.120   2.741  17.546
   16   1HB   LYS   3          1HB       LYS   3  -6.480   2.999  17.550
   17   2HB   LYS   3          2HB       LYS   3  -5.889   3.737  19.025
   18   1HG   LYS   3          1HG       LYS   3  -6.050   5.588  16.691
   19   2HG   LYS   3          2HG       LYS   3  -7.595   4.967  17.236
   20   1HD   LYS   3          1HD       LYS   3  -6.767   5.618  19.644
   21   2HD   LYS   3          2HD       LYS   3  -5.559   6.579  18.814
   22   1HE   LYS   3          1HE       LYS   3  -7.482   7.666  17.497
   23   2HE   LYS   3          2HE       LYS   3  -8.590   6.846  18.579
   24   1HZ   LYS   3          1HZ       LYS   3  -7.477   7.981  20.452
   25   2HZ   LYS   3          2HZ       LYS   3  -6.490   8.770  19.425
   26    H    ALA   4           H        ALA   4  -6.183   3.257  15.526
   27    HA   ALA   4           HA       ALA   4  -4.374   4.005  13.387
   28   1HB   ALA   4          2HB       ALA   4  -7.134   2.735  13.502
   29   2HB   ALA   4          3HB       ALA   4  -6.303   3.141  11.981
   30   3HB   ALA   4          1HB       ALA   4  -5.589   1.951  13.094
   31    HA   PRO   5           HA       PRO   5  -6.172   7.892  12.787
   32   1HB   PRO   5          1HB       PRO   5  -5.689   8.329  10.133
   33   2HB   PRO   5          2HB       PRO   5  -4.474   8.548  11.376
   34   1HG   PRO   5          1HG       PRO   5  -4.745   6.352   9.415
   35   2HG   PRO   5          2HG       PRO   5  -3.343   6.814  10.360
   36   1HD   PRO   5          1HD       PRO   5  -5.088   4.591  10.851
   37   2HD   PRO   5          2HD       PRO   5  -3.757   5.122  11.860
   38    H    ALA   6           H        ALA   6  -7.672   9.246  11.236
   39    HA   ALA   6           HA       ALA   6 -10.135   7.910  11.364
   40   1HB   ALA   6          3HB       ALA   6  -9.638  10.417  11.450
   41   2HB   ALA   6          1HB       ALA   6  -9.462  10.347   9.680
   42   3HB   ALA   6          2HB       ALA   6 -11.018   9.929  10.438
   43    H    ASP   7           H        ASP   7 -11.570   8.136   9.126
   44    HA   ASP   7           HA       ASP   7 -10.208   6.280   7.385
   45   1HB   ASP   7          1HB       ASP   7 -12.463   5.871   6.445
   46   2HB   ASP   7          2HB       ASP   7 -12.468   5.692   8.189
   47    H    GLY   8           H        GLY   8 -10.861   6.602   4.900
   48   1HA   GLY   8          1HA       GLY   8 -11.077   7.919   3.058
   49   2HA   GLY   8          2HA       GLY   8 -11.373   9.315   4.075
   50    H    LEU   9           H        LEU   9  -8.558   7.234   4.680
   51    HA   LEU   9           HA       LEU   9  -6.820   9.464   4.308
   52   1HB   LEU   9          1HB       LEU   9  -6.313   8.047   6.093
   53   2HB   LEU   9          2HB       LEU   9  -6.490   6.595   5.128
   54    HG   LEU   9           HG       LEU   9  -4.118   7.626   5.847
   55   1HD1  LEU   9          1HD1      LEU   9  -4.782   5.461   4.597
   56   2HD1  LEU   9          2HD1      LEU   9  -4.346   6.363   3.126
   57   3HD1  LEU   9          3HD1      LEU   9  -3.132   6.099   4.400
   58   1HD2  LEU   9          2HD2      LEU   9  -4.812   9.658   4.307
   59   2HD2  LEU   9          3HD2      LEU   9  -3.132   9.074   4.378
   60   3HD2  LEU   9          1HD2      LEU   9  -4.183   8.599   3.022
   61    H    LYS  10           H        LYS  10  -6.665  10.174   2.206
   62    HA   LYS  10           HA       LYS  10  -6.055   8.127   0.199
   63   1HB   LYS  10          1HB       LYS  10  -7.991   9.334  -0.432
   64   2HB   LYS  10          2HB       LYS  10  -7.292  10.876   0.020
   65   1HG   LYS  10          1HG       LYS  10  -5.493  10.439  -1.786
   66   2HG   LYS  10          2HG       LYS  10  -6.491   9.104  -2.328
   67   1HD   LYS  10          1HD       LYS  10  -7.317  10.805  -3.690
   68   2HD   LYS  10          2HD       LYS  10  -8.429  10.928  -2.341
   69   1HE   LYS  10          1HE       LYS  10  -6.201  12.527  -1.599
   70   2HE   LYS  10          2HE       LYS  10  -6.464  12.879  -3.295
   71   1HZ   LYS  10          1HZ       LYS  10  -8.605  13.658  -2.861
   72   2HZ   LYS  10          2HZ       LYS  10  -8.774  12.838  -1.464
   73    H    MET  11           H        MET  11  -4.221   8.356  -1.163
   74    HA   MET  11           HA       MET  11  -2.340  10.370  -0.201
   75   1HB   MET  11          1HB       MET  11  -0.541   8.639  -0.661
   76   2HB   MET  11          2HB       MET  11  -1.650   8.140   0.601
   77   1HG   MET  11          1HG       MET  11  -2.801   7.260  -1.872
   78   2HG   MET  11          2HG       MET  11  -1.099   6.850  -1.948
   79   1HE   MET  11          1HE       MET  11  -0.347   4.835  -1.368
   80   2HE   MET  11          2HE       MET  11   0.128   5.381   0.258
   81   3HE   MET  11          3HE       MET  11  -0.743   3.842   0.054
   82    H    GLU  12           H        GLU  12  -2.299  11.880  -1.835
   83    HA   GLU  12           HA       GLU  12  -2.279  10.846  -4.550
   84   1HB   GLU  12          1HB       GLU  12  -3.984  12.603  -3.826
   85   2HB   GLU  12          2HB       GLU  12  -2.655  13.731  -3.642
   86   1HG   GLU  12          1HG       GLU  12  -2.897  12.225  -6.249
   87   2HG   GLU  12          2HG       GLU  12  -4.015  13.540  -5.947
   88    H    ALA  13           H        ALA  13   0.054  10.146  -3.895
   89    HA   ALA  13           HA       ALA  13   1.916  12.384  -3.947
   90   1HB   ALA  13          3HB       ALA  13   1.860   9.660  -2.901
   91   2HB   ALA  13          1HB       ALA  13   3.320   9.950  -3.877
   92   3HB   ALA  13          2HB       ALA  13   2.949  11.008  -2.495
   93    H    THR  14           H        THR  14   0.278  10.248  -6.081
   94    HA   THR  14           HA       THR  14   2.214  10.916  -8.186
   95    HB   THR  14           HB       THR  14   1.870   8.596  -9.083
   96    HG1  THR  14           HG1      THR  14  -0.273   8.651  -7.700
   97   1HG2  THR  14          3HG2      THR  14   3.193   9.208  -6.535
   98   2HG2  THR  14          1HG2      THR  14   2.557   7.545  -6.537
   99   3HG2  THR  14          2HG2      THR  14   3.693   8.066  -7.805
  100    H    LYS  15           H        LYS  15   1.078  10.273 -10.430
  101    HA   LYS  15           HA       LYS  15  -1.069  12.068 -10.628
  102   1HB   LYS  15          1HB       LYS  15   0.626  11.510 -12.404
  103   2HB   LYS  15          2HB       LYS  15  -0.192   9.979 -12.642
  104   1HG   LYS  15          1HG       LYS  15  -2.365  11.477 -12.895
  105   2HG   LYS  15          2HG       LYS  15  -1.227  12.777 -13.184
  106   1HD   LYS  15          1HD       LYS  15  -0.414  11.819 -15.175
  107   2HD   LYS  15          2HD       LYS  15  -0.855  10.191 -14.701
  108   1HE   LYS  15          1HE       LYS  15  -3.005  10.395 -15.499
  109   2HE   LYS  15          2HE       LYS  15  -3.170  12.046 -14.937
  110   1HZ   LYS  15          1HZ       LYS  15  -2.519  12.824 -16.942
  111   2HZ   LYS  15          2HZ       LYS  15  -1.269  11.790 -17.082
  112    H    GLN  16           H        GLN  16  -0.892   8.810  -9.540
  113    HA   GLN  16           HA       GLN  16  -3.760   8.555 -10.015
  114   1HB   GLN  16          1HB       GLN  16  -1.788   6.266  -9.619
  115   2HB   GLN  16          2HB       GLN  16  -3.479   6.128 -10.056
  116   1HG   GLN  16          1HG       GLN  16  -1.840   7.867 -11.852
  117   2HG   GLN  16          2HG       GLN  16  -1.418   6.167 -11.875
  118   1HE2  GLN  16          2HE2      GLN  16  -4.692   5.056 -12.968
  119   2HE2  GLN  16          1HE2      GLN  16  -3.470   4.696 -11.795
  120    HA   PRO  17           HA       PRO  17  -3.468   8.850  -5.588
  121   1HB   PRO  17          1HB       PRO  17  -5.959   9.898  -5.182
  122   2HB   PRO  17          2HB       PRO  17  -4.539  10.885  -5.463
  123   1HG   PRO  17          1HG       PRO  17  -6.755  10.258  -7.316
  124   2HG   PRO  17          2HG       PRO  17  -5.575  11.549  -7.414
  125   1HD   PRO  17          1HD       PRO  17  -5.592   9.119  -8.939
  126   2HD   PRO  17          2HD       PRO  17  -4.351  10.357  -8.952
  127    H    VAL  18           H        VAL  18  -4.445   7.814  -3.730
  128    HA   VAL  18           HA       VAL  18  -6.405   5.804  -4.511
  129    HB   VAL  18           HB       VAL  18  -3.695   5.244  -3.303
  130   1HG1  VAL  18          3HG1      VAL  18  -5.471   4.039  -2.059
  131   2HG1  VAL  18          1HG1      VAL  18  -6.027   3.319  -3.589
  132   3HG1  VAL  18          2HG1      VAL  18  -4.402   2.941  -2.967
  133   1HG2  VAL  18          1HG2      VAL  18  -5.028   4.666  -5.919
  134   2HG2  VAL  18          2HG2      VAL  18  -3.340   5.108  -5.565
  135   3HG2  VAL  18          3HG2      VAL  18  -3.909   3.451  -5.254
  136    H    VAL  19           H        VAL  19  -7.731   5.108  -2.763
  137    HA   VAL  19           HA       VAL  19  -7.386   6.758  -0.356
  138    HB   VAL  19           HB       VAL  19  -9.840   5.780  -1.813
  139   1HG1  VAL  19          2HG1      VAL  19 -10.087   5.406   0.639
  140   2HG1  VAL  19          3HG1      VAL  19  -9.774   7.138   0.902
  141   3HG1  VAL  19          1HG1      VAL  19 -11.215   6.622  -0.007
  142   1HG2  VAL  19          1HG2      VAL  19  -8.373   8.146  -1.989
  143   2HG2  VAL  19          2HG2      VAL  19 -10.032   7.875  -2.575
  144   3HG2  VAL  19          3HG2      VAL  19  -9.760   8.567  -0.957
  145    H    PHE  20           H        PHE  20  -6.678   5.613   1.362
  146    HA   PHE  20           HA       PHE  20  -7.292   2.744   1.401
  147   1HB   PHE  20          1HB       PHE  20  -4.889   3.612   1.458
  148   2HB   PHE  20          2HB       PHE  20  -5.280   4.550   2.886
  149    HD1  PHE  20           HD1      PHE  20  -4.924   1.083   1.592
  150    HD2  PHE  20           HD2      PHE  20  -5.238   3.569   5.059
  151    HE1  PHE  20           HE1      PHE  20  -4.277  -0.883   3.069
  152    HE2  PHE  20           HE2      PHE  20  -4.590   1.595   6.525
  153    HZ   PHE  20           HZ       PHE  20  -4.155  -0.522   5.582
  154    H    ASN  21           H        ASN  21  -7.670   1.778   3.614
  155    HA   ASN  21           HA       ASN  21  -8.861   3.694   5.430
  156   1HB   ASN  21          1HB       ASN  21 -10.228   1.215   4.273
  157   2HB   ASN  21          2HB       ASN  21 -10.789   1.983   5.745
  158   1HD2  ASN  21          1HD2      ASN  21 -10.186   2.423   2.310
  159   2HD2  ASN  21          2HD2      ASN  21 -11.284   3.734   2.039
  160    H    HIS  22           H        HIS  22  -8.811   2.921   7.666
  161    HA   HIS  22           HA       HIS  22  -7.023   0.649   8.007
  162   1HB   HIS  22          1HB       HIS  22  -7.700   3.078   9.631
  163   2HB   HIS  22          2HB       HIS  22  -7.098   1.651  10.452
  164    HD1  HIS  22           HD1      HIS  22  -6.046   4.405   8.126
  165    HD2  HIS  22           HD2      HIS  22  -4.381   0.993   9.912
  166    HE1  HIS  22           HE1      HIS  22  -3.523   4.580   7.788
  167    H    SER  23           H        SER  23 -10.343   1.714   8.426
  168    HA   SER  23           HA       SER  23 -10.982  -0.161  10.428
  169   1HB   SER  23          1HB       SER  23 -12.705   1.407   8.462
  170   2HB   SER  23          2HB       SER  23 -13.372   0.400   9.731
  171    HG   SER  23           HG       SER  23 -11.528   2.586  10.197
  172    H    THR  24           H        THR  24 -10.025  -0.573   7.244
  173    HA   THR  24           HA       THR  24 -11.799  -2.879   6.816
  174    HB   THR  24           HB       THR  24 -10.042  -1.214   4.937
  175    HG1  THR  24           HG1      THR  24 -12.909  -1.696   5.355
  176   1HG2  THR  24          3HG2      THR  24 -11.291  -3.873   4.622
  177   2HG2  THR  24          1HG2      THR  24 -11.939  -2.684   3.467
  178   3HG2  THR  24          2HG2      THR  24 -10.190  -3.012   3.520
  179    H    HIS  25           H        HIS  25  -8.434  -1.844   7.314
  180    HA   HIS  25           HA       HIS  25  -7.616  -4.626   6.983
  181   1HB   HIS  25          1HB       HIS  25  -5.967  -2.089   7.173
  182   2HB   HIS  25          2HB       HIS  25  -5.314  -3.704   6.980
  183    HD1  HIS  25           HD1      HIS  25  -7.521  -1.205   5.117
  184    HD2  HIS  25           HD2      HIS  25  -5.169  -4.598   4.373
  185    HE1  HIS  25           HE1      HIS  25  -7.412  -1.457   2.580
  186    H    LYS  26           H        LYS  26  -9.264  -3.867   9.235
  187    HA   LYS  26           HA       LYS  26  -7.647  -3.344  11.490
  188   1HB   LYS  26          1HB       LYS  26 -10.402  -4.604  11.373
  189   2HB   LYS  26          2HB       LYS  26  -9.653  -3.851  12.766
  190   1HG   LYS  26          1HG       LYS  26  -9.558  -1.672  11.550
  191   2HG   LYS  26          2HG       LYS  26 -10.280  -2.420  10.139
  192   1HD   LYS  26          1HD       LYS  26 -12.242  -1.668  11.068
  193   2HD   LYS  26          2HD       LYS  26 -12.133  -3.145  12.004
  194   1HE   LYS  26          1HE       LYS  26 -10.663  -1.659  13.654
  195   2HE   LYS  26          2HE       LYS  26 -11.450  -0.317  12.848
  196   1HZ   LYS  26          1HZ       LYS  26 -13.104  -0.719  14.316
  197   2HZ   LYS  26          2HZ       LYS  26 -13.522  -1.987  13.384
  198    H    SER  27           H        SER  27  -8.919  -6.338   9.933
  199    HA   SER  27           HA       SER  27  -7.964  -8.031  11.934
  200   1HB   SER  27          1HB       SER  27  -8.522  -9.824  10.431
  201   2HB   SER  27          2HB       SER  27  -9.723  -8.571  10.185
  202    HG   SER  27           HG       SER  27  -7.362  -8.924   8.541
  203    H    VAL  28           H        VAL  28  -6.359  -6.157   9.541
  204    HA   VAL  28           HA       VAL  28  -4.149  -8.004   9.234
  205    HB   VAL  28           HB       VAL  28  -4.485  -5.172   8.234
  206   1HG1  VAL  28          1HG1      VAL  28  -2.564  -7.414   7.591
  207   2HG1  VAL  28          2HG1      VAL  28  -2.880  -6.091   6.443
  208   3HG1  VAL  28          3HG1      VAL  28  -2.208  -5.732   8.052
  209   1HG2  VAL  28          2HG2      VAL  28  -5.727  -7.692   7.359
  210   2HG2  VAL  28          3HG2      VAL  28  -6.167  -6.006   6.994
  211   3HG2  VAL  28          1HG2      VAL  28  -4.883  -6.813   6.061
  212    H    LYS  29           H        LYS  29  -2.067  -7.704  10.104
  213    HA   LYS  29           HA       LYS  29  -2.045  -6.279  12.576
  214   1HB   LYS  29          1HB       LYS  29  -0.573  -8.401  11.328
  215   2HB   LYS  29          2HB       LYS  29   0.562  -7.174  11.852
  216   1HG   LYS  29          1HG       LYS  29   0.085  -7.482  14.095
  217   2HG   LYS  29          2HG       LYS  29  -1.612  -7.809  13.804
  218   1HD   LYS  29          1HD       LYS  29  -1.134 -10.088  13.080
  219   2HD   LYS  29          2HD       LYS  29   0.591  -9.781  13.051
  220   1HE   LYS  29          1HE       LYS  29   0.025 -11.014  15.097
  221   2HE   LYS  29          2HE       LYS  29   0.566  -9.404  15.528
  222   1HZ   LYS  29          1HZ       LYS  29  -2.200 -10.436  15.536
  223   2HZ   LYS  29          2HZ       LYS  29  -1.401  -9.689  16.743
  224    H    CYS  30           H        CYS  30  -0.899  -4.403  13.129
  225    HA   CYS  30           HA       CYS  30  -0.680  -2.503  11.106
  226   1HB   CYS  30          1HB       CYS  30   0.747  -2.272  13.742
  227   2HB   CYS  30          2HB       CYS  30   0.032  -1.008  12.762
  228    H    GLY  31           H        GLY  31   1.580  -4.835  12.587
  229   1HA   GLY  31          1HA       GLY  31   3.955  -3.653  11.499
  230   2HA   GLY  31          2HA       GLY  31   3.790  -5.219  12.268
  231    H    ASP  32           H        ASP  32   1.326  -5.193  10.031
  232    HA   ASP  32           HA       ASP  32   2.839  -6.855   8.287
  233   1HB   ASP  32          1HB       ASP  32   0.422  -7.249   9.015
  234   2HB   ASP  32          2HB       ASP  32  -0.045  -5.886   8.018
  235    H    CYS  33           H        CYS  33   1.451  -3.567   8.391
  236    HA   CYS  33           HA       CYS  33   2.242  -3.162   5.606
  237   1HB   CYS  33          1HB       CYS  33   0.107  -1.997   7.325
  238   2HB   CYS  33          2HB       CYS  33   0.889  -0.900   6.205
  239    H    HIS  34           H        HIS  34   2.216  -1.547   8.873
  240    HA   HIS  34           HA       HIS  34   4.285   0.245   8.083
  241   1HB   HIS  34          1HB       HIS  34   3.068  -0.339  10.798
  242   2HB   HIS  34          2HB       HIS  34   4.178   0.972  10.454
  243    HD1  HIS  34           HD1      HIS  34   3.277   2.903   8.818
  244    HD2  HIS  34           HD2      HIS  34   0.407   0.148  10.150
  245    HE1  HIS  34           HE1      HIS  34   1.002   3.959   8.350
  246    H    HIS  35           H        HIS  35   5.491  -1.932   7.348
  247    HA   HIS  35           HA       HIS  35   6.626  -3.658   9.071
  248   1HB   HIS  35          1HB       HIS  35   8.397  -3.942   7.452
  249   2HB   HIS  35          2HB       HIS  35   6.863  -3.729   6.633
  250    HD1  HIS  35           HD1      HIS  35   9.959  -1.675   7.555
  251    HD2  HIS  35           HD2      HIS  35   6.853  -1.740   4.737
  252    HE1  HIS  35           HE1      HIS  35  10.498   0.149   5.854
  253    HA   PRO  36           HA       PRO  36   9.288  -1.394  11.620
  254   1HB   PRO  36          1HB       PRO  36  11.031  -3.335  12.433
  255   2HB   PRO  36          2HB       PRO  36   9.436  -3.127  13.128
  256   1HG   PRO  36          1HG       PRO  36  10.379  -5.194  11.236
  257   2HG   PRO  36          2HG       PRO  36   8.954  -5.207  12.256
  258   1HD   PRO  36          1HD       PRO  36   9.039  -4.706   9.434
  259   2HD   PRO  36          2HD       PRO  36   7.632  -4.606  10.474
  260    H    VAL  37           H        VAL  37  10.779   0.132  11.293
  261    HA   VAL  37           HA       VAL  37  12.874  -0.657   9.387
  262    HB   VAL  37           HB       VAL  37  11.535   2.027   9.778
  263   1HG1  VAL  37          3HG1      VAL  37  13.895   1.150   8.113
  264   2HG1  VAL  37          1HG1      VAL  37  12.883   2.529   7.622
  265   3HG1  VAL  37          2HG1      VAL  37  13.734   2.562   9.185
  266   1HG2  VAL  37          1HG2      VAL  37  11.218  -0.173   7.757
  267   2HG2  VAL  37          2HG2      VAL  37   9.982   0.830   8.553
  268   3HG2  VAL  37          3HG2      VAL  37  10.988   1.520   7.257
  269    H    ASN  38           H        ASN  38  14.852  -0.781  10.302
  270    HA   ASN  38           HA       ASN  38  16.612  -0.098  11.435
  271   1HB   ASN  38          1HB       ASN  38  15.266   2.250  11.538
  272   2HB   ASN  38          2HB       ASN  38  15.096   1.811  13.226
  273   1HD2  ASN  38          2HD2      ASN  38  18.104   3.540  13.698
  274   2HD2  ASN  38          1HD2      ASN  38  16.380   3.534  13.860
  275    H    GLY  39           H        GLY  39  13.724  -1.430  12.463
  276   1HA   GLY  39          1HA       GLY  39  13.685  -3.192  14.024
  277   2HA   GLY  39          2HA       GLY  39  14.919  -2.389  14.974
  278    H    LYS  40           H        LYS  40  12.930   0.100  13.997
  279    HA   LYS  40           HA       LYS  40  11.397  -0.093  16.486
  280   1HB   LYS  40          1HB       LYS  40  11.431   2.244  16.607
  281   2HB   LYS  40          2HB       LYS  40  13.046   1.816  16.080
  282   1HG   LYS  40          1HG       LYS  40  11.895   2.070  13.639
  283   2HG   LYS  40          2HG       LYS  40  10.828   3.134  14.533
  284   1HD   LYS  40          1HD       LYS  40  12.696   4.516  15.277
  285   2HD   LYS  40          2HD       LYS  40  13.867   3.366  14.663
  286   1HE   LYS  40          1HE       LYS  40  12.353   3.886  12.391
  287   2HE   LYS  40          2HE       LYS  40  12.310   5.437  13.204
  288   1HZ   LYS  40          1HZ       LYS  40  14.637   4.007  12.146
  289   2HZ   LYS  40          2HZ       LYS  40  14.295   5.597  12.073
  290    H    GLU  41           H        GLU  41   9.132   0.563  16.474
  291    HA   GLU  41           HA       GLU  41   7.973   0.322  13.808
  292   1HB   GLU  41          1HB       GLU  41   7.321  -1.148  16.350
  293   2HB   GLU  41          2HB       GLU  41   5.986  -0.731  15.294
  294   1HG   GLU  41          1HG       GLU  41   6.502  -2.494  13.969
  295   2HG   GLU  41          2HG       GLU  41   8.037  -1.741  13.585
  296    H    ASP  42           H        ASP  42   6.766   2.082  13.247
  297    HA   ASP  42           HA       ASP  42   5.304   3.413  15.345
  298   1HB   ASP  42          1HB       ASP  42   6.144   5.616  14.797
  299   2HB   ASP  42          2HB       ASP  42   7.530   4.590  15.112
  300    H    TYR  43           H        TYR  43   3.595   4.886  14.367
  301    HA   TYR  43           HA       TYR  43   2.734   3.822  11.805
  302   1HB   TYR  43          1HB       TYR  43   1.499   5.833  13.787
  303   2HB   TYR  43          2HB       TYR  43   0.626   5.001  12.516
  304    HD1  TYR  43           HD1      TYR  43   2.006   2.249  13.001
  305    HD2  TYR  43           HD2      TYR  43   0.118   5.073  15.602
  306    HE1  TYR  43           HE1      TYR  43   1.431   0.379  14.625
  307    HE2  TYR  43           HE2      TYR  43  -0.450   3.193  17.218
  308    HH   TYR  43           HH       TYR  43   0.821   0.703  17.600
  309    H    ARG  44           H        ARG  44   3.903   4.815  10.157
  310    HA   ARG  44           HA       ARG  44   3.559   7.703  10.078
  311   1HB   ARG  44          1HB       ARG  44   6.029   6.216  10.134
  312   2HB   ARG  44          2HB       ARG  44   5.879   6.905   8.530
  313   1HG   ARG  44          1HG       ARG  44   5.588   9.158   9.452
  314   2HG   ARG  44          2HG       ARG  44   5.498   8.531  11.085
  315   1HD   ARG  44          1HD       ARG  44   7.936   7.515   9.989
  316   2HD   ARG  44          2HD       ARG  44   7.862   9.201   9.518
  317    HE   ARG  44           HE       ARG  44   7.213   8.655  12.349
  318   1HH1  ARG  44          2HH2      ARG  44   9.706   9.601  10.016
  319   2HH1  ARG  44          1HH2      ARG  44  10.732  10.316  11.215
  320    HH2  ARG  44           HH1      ARG  44  10.041  10.303  13.509
  321    H    LYS  45           H        LYS  45   4.039   8.475   7.628
  322    HA   LYS  45           HA       LYS  45   2.274   6.866   6.004
  323   1HB   LYS  45          1HB       LYS  45   3.484   9.622   5.709
  324   2HB   LYS  45          2HB       LYS  45   2.579   8.854   4.420
  325   1HG   LYS  45          1HG       LYS  45   0.787   9.865   5.448
  326   2HG   LYS  45          2HG       LYS  45   0.828   8.434   6.459
  327   1HD   LYS  45          1HD       LYS  45   0.989   9.906   8.199
  328   2HD   LYS  45          2HD       LYS  45   2.680  10.018   7.751
  329   1HE   LYS  45          1HE       LYS  45   2.196  12.269   7.624
  330   2HE   LYS  45          2HE       LYS  45   1.684  11.842   6.003
  331   1HZ   LYS  45          1HZ       LYS  45  -0.294  12.687   6.649
  332   2HZ   LYS  45          2HZ       LYS  45  -0.527  11.318   7.500
  333    H    CYS  46           H        CYS  46   2.842   5.667   4.214
  334    HA   CYS  46           HA       CYS  46   5.413   4.690   4.063
  335   1HB   CYS  46          1HB       CYS  46   3.577   4.709   1.684
  336   2HB   CYS  46          2HB       CYS  46   4.724   3.482   2.185
  337    H    GLY  47           H        GLY  47   3.688   7.178   2.052
  338   1HA   GLY  47          1HA       GLY  47   6.032   7.784   0.504
  339   2HA   GLY  47          2HA       GLY  47   4.484   8.604   0.476
  340    H    THR  48           H        THR  48   6.938   7.993   3.095
  341    HA   THR  48           HA       THR  48   6.685  10.802   3.855
  342    HB   THR  48           HB       THR  48   7.619   8.222   5.148
  343    HG1  THR  48           HG1      THR  48   5.398   9.314   5.188
  344   1HG2  THR  48          1HG2      THR  48   8.762  10.907   5.614
  345   2HG2  THR  48          2HG2      THR  48   7.934  10.267   7.054
  346   3HG2  THR  48          3HG2      THR  48   9.256   9.342   6.302
  347    H    ALA  49           H        ALA  49   8.214  12.326   3.554
  348    HA   ALA  49           HA       ALA  49  10.198  11.938   1.674
  349   1HB   ALA  49          2HB       ALA  49   9.071  14.080   2.751
  350   2HB   ALA  49          3HB       ALA  49  10.482  14.014   3.834
  351   3HB   ALA  49          1HB       ALA  49  10.716  14.166   2.076
  352    H    GLY  50           H        GLY  50  11.732  10.353   1.883
  353   1HA   GLY  50          1HA       GLY  50  13.996  10.169   2.823
  354   2HA   GLY  50          2HA       GLY  50  13.274  10.345   4.411
  355    H    CYS  51           H        CYS  51  10.903   8.687   2.880
  356    HA   CYS  51           HA       CYS  51  12.093   6.122   3.633
  357   1HB   CYS  51          1HB       CYS  51   9.208   7.054   3.669
  358   2HB   CYS  51          2HB       CYS  51   9.680   5.378   3.873
  359    H    HIS  52           H        HIS  52   9.053   6.517   1.824
  360    HA   HIS  52           HA       HIS  52  10.380   5.281  -0.467
  361   1HB   HIS  52          1HB       HIS  52   7.495   5.282   0.449
  362   2HB   HIS  52          2HB       HIS  52   8.006   4.672  -1.112
  363    HD1  HIS  52           HD1      HIS  52   9.965   2.684  -0.922
  364    HD2  HIS  52           HD2      HIS  52   7.540   3.394   2.426
  365    HE1  HIS  52           HE1      HIS  52  10.146   0.605   0.546
  366    H    ASP  53           H        ASP  53  11.266   7.468  -1.015
  367    HA   ASP  53           HA       ASP  53   9.221   8.935  -2.478
  368   1HB   ASP  53          1HB       ASP  53   9.650  10.446  -0.727
  369   2HB   ASP  53          2HB       ASP  53  11.317   9.937  -0.555
  370    H    SER  54           H        SER  54  10.045   7.598  -4.328
  371    HA   SER  54           HA       SER  54  12.751   8.344  -5.109
  372   1HB   SER  54          1HB       SER  54  12.804   6.328  -6.459
  373   2HB   SER  54          2HB       SER  54  12.261   5.892  -4.851
  374    HG   SER  54           HG       SER  54   9.994   6.217  -5.833
  375    H    MET  55           H        MET  55   9.311   8.474  -5.905
  376    HA   MET  55           HA       MET  55   8.205   9.180  -7.672
  377   1HB   MET  55          1HB       MET  55  10.175  11.240  -6.813
  378   2HB   MET  55          2HB       MET  55   9.576  11.516  -8.436
  379   1HG   MET  55          1HG       MET  55   7.960  12.646  -7.165
  380   2HG   MET  55          2HG       MET  55   7.193  11.083  -7.364
  381   1HE   MET  55          2HE       MET  55   6.743   9.560  -6.006
  382   2HE   MET  55          3HE       MET  55   7.857   9.038  -4.720
  383   3HE   MET  55          1HE       MET  55   6.355   9.896  -4.302
  384    H    ASP  56           H        ASP  56  10.193   7.215  -8.435
  385    HA   ASP  56           HA       ASP  56  11.074   8.296 -10.989
  386   1HB   ASP  56          1HB       ASP  56  12.463   6.835  -9.071
  387   2HB   ASP  56          2HB       ASP  56  11.977   5.577 -10.189
  388    H    LYS  57           H        LYS  57   9.422   5.564  -9.289
  389    HA   LYS  57           HA       LYS  57   7.876   4.130  -9.946
  390   1HB   LYS  57          1HB       LYS  57   6.775   6.094 -10.963
  391   2HB   LYS  57          2HB       LYS  57   7.653   5.820 -12.455
  392   1HG   LYS  57          1HG       LYS  57   6.027   3.560 -11.260
  393   2HG   LYS  57          2HG       LYS  57   5.204   4.833 -12.140
  394   1HD   LYS  57          1HD       LYS  57   7.531   4.010 -13.665
  395   2HD   LYS  57          2HD       LYS  57   6.625   2.580 -13.212
  396   1HE   LYS  57          1HE       LYS  57   5.463   3.133 -15.142
  397   2HE   LYS  57          2HE       LYS  57   4.530   4.074 -13.995
  398   1HZ   LYS  57          1HZ       LYS  57   6.834   5.176 -15.513
  399   2HZ   LYS  57          2HZ       LYS  57   5.281   5.371 -15.961
  400    H    LYS  58           H        LYS  58   9.651   4.976 -13.009
  401    HA   LYS  58           HA       LYS  58   9.839   2.230 -13.719
  402   1HB   LYS  58          1HB       LYS  58  10.688   4.849 -14.862
  403   2HB   LYS  58          2HB       LYS  58  11.565   3.428 -15.394
  404   1HG   LYS  58          1HG       LYS  58   8.534   3.376 -15.330
  405   2HG   LYS  58          2HG       LYS  58   9.356   4.169 -16.659
  406   1HD   LYS  58          1HD       LYS  58  10.475   2.137 -17.322
  407   2HD   LYS  58          2HD       LYS  58  10.074   1.333 -15.817
  408   1HE   LYS  58          1HE       LYS  58   8.554   0.467 -17.480
  409   2HE   LYS  58          2HE       LYS  58   7.610   1.527 -16.452
  410   1HZ   LYS  58          1HZ       LYS  58   8.638   2.127 -19.163
  411   2HZ   LYS  58          2HZ       LYS  58   7.088   2.136 -18.663
  412    H    ASP  59           H        ASP  59  10.731   1.804 -11.375
  413    HA   ASP  59           HA       ASP  59  13.403   1.099 -11.730
  414   1HB   ASP  59          1HB       ASP  59  14.498   2.488 -10.071
  415   2HB   ASP  59          2HB       ASP  59  13.701   3.553 -11.212
  416    H    LYS  60           H        LYS  60  11.316  -0.508 -11.155
  417    HA   LYS  60           HA       LYS  60  10.227  -0.763  -8.723
  418   1HB   LYS  60          1HB       LYS  60  11.379  -3.039 -10.365
  419   2HB   LYS  60          2HB       LYS  60  10.132  -3.175  -9.143
  420   1HG   LYS  60          1HG       LYS  60   9.421  -1.092 -11.064
  421   2HG   LYS  60          2HG       LYS  60   9.783  -2.585 -11.907
  422   1HD   LYS  60          1HD       LYS  60   8.196  -3.812 -10.400
  423   2HD   LYS  60          2HD       LYS  60   7.825  -2.310  -9.577
  424   1HE   LYS  60          1HE       LYS  60   7.021  -1.340 -11.760
  425   2HE   LYS  60          2HE       LYS  60   7.342  -2.875 -12.542
  426   1HZ   LYS  60          1HZ       LYS  60   4.997  -2.260 -11.391
  427   2HZ   LYS  60          2HZ       LYS  60   5.502  -3.793 -11.606
  428    H    SER  61           H        SER  61  11.323  -0.125  -6.891
  429    HA   SER  61           HA       SER  61  13.320  -1.979  -6.006
  430   1HB   SER  61          1HB       SER  61  14.856  -0.035  -5.316
  431   2HB   SER  61          2HB       SER  61  14.846  -0.460  -7.016
  432    HG   SER  61           HG       SER  61  12.919   1.462  -6.285
  433    H    ALA  62           H        ALA  62  14.032  -1.205  -3.615
  434    HA   ALA  62           HA       ALA  62  11.753  -1.213  -2.062
  435   1HB   ALA  62          2HB       ALA  62  14.271  -1.744  -1.554
  436   2HB   ALA  62          3HB       ALA  62  14.358  -0.024  -1.104
  437   3HB   ALA  62          1HB       ALA  62  13.234  -1.111  -0.253
  438    H    LYS  63           H        LYS  63  13.904   1.549  -3.007
  439    HA   LYS  63           HA       LYS  63  12.413   3.468  -1.596
  440   1HB   LYS  63          1HB       LYS  63  14.513   3.533  -3.744
  441   2HB   LYS  63          2HB       LYS  63  13.659   5.005  -3.326
  442   1HG   LYS  63          1HG       LYS  63  14.518   3.516  -0.931
  443   2HG   LYS  63          2HG       LYS  63  15.872   3.919  -1.969
  444   1HD   LYS  63          1HD       LYS  63  15.048   6.320  -2.020
  445   2HD   LYS  63          2HD       LYS  63  13.802   5.879  -0.871
  446   1HE   LYS  63          1HE       LYS  63  15.540   6.734   0.502
  447   2HE   LYS  63          2HE       LYS  63  15.733   4.998   0.637
  448   1HZ   LYS  63          1HZ       LYS  63  17.588   5.040  -0.771
  449   2HZ   LYS  63          2HZ       LYS  63  17.219   6.479  -1.439
  450    H    GLY  64           H        GLY  64  11.837   1.702  -4.536
  451   1HA   GLY  64          1HA       GLY  64  10.294   3.601  -5.942
  452   2HA   GLY  64          2HA       GLY  64  10.262   1.860  -6.134
  453    H    TYR  65           H        TYR  65   8.868   4.646  -4.400
  454    HA   TYR  65           HA       TYR  65   7.218   3.398  -2.609
  455   1HB   TYR  65          1HB       TYR  65   7.475   5.841  -2.788
  456   2HB   TYR  65          2HB       TYR  65   6.984   5.829  -4.471
  457    HD1  TYR  65           HD1      TYR  65   5.664   5.085  -1.045
  458    HD2  TYR  65           HD2      TYR  65   4.771   6.334  -5.038
  459    HE1  TYR  65           HE1      TYR  65   3.271   5.598  -0.357
  460    HE2  TYR  65           HE2      TYR  65   2.381   6.842  -4.338
  461    HH   TYR  65           HH       TYR  65   1.359   6.398  -0.963
  462    H    TYR  66           H        TYR  66   6.818   3.797  -6.154
  463    HA   TYR  66           HA       TYR  66   4.130   2.786  -6.093
  464   1HB   TYR  66          1HB       TYR  66   4.690   4.335  -7.858
  465   2HB   TYR  66          2HB       TYR  66   6.283   3.638  -8.079
  466    HD1  TYR  66           HD1      TYR  66   6.470   1.354  -9.211
  467    HD2  TYR  66           HD2      TYR  66   2.860   3.650  -9.200
  468    HE1  TYR  66           HE1      TYR  66   5.598   0.007 -11.183
  469    HE2  TYR  66           HE2      TYR  66   2.001   2.295 -11.172
  470    HH   TYR  66           HH       TYR  66   3.831   0.599 -13.125
  471    H    HIS  67           H        HIS  67   7.117   1.334  -5.620
  472    HA   HIS  67           HA       HIS  67   6.380  -1.057  -7.115
  473   1HB   HIS  67          1HB       HIS  67   8.559  -0.830  -7.628
  474   2HB   HIS  67          2HB       HIS  67   8.901   0.176  -6.235
  475    HD1  HIS  67           HD1      HIS  67   9.132  -3.316  -7.475
  476    HD2  HIS  67           HD2      HIS  67   9.498  -1.305  -3.812
  477    HE1  HIS  67           HE1      HIS  67  10.275  -4.944  -5.877
  478    H    VAL  68           H        VAL  68   6.289   0.383  -3.964
  479    HA   VAL  68           HA       VAL  68   6.147  -2.232  -2.673
  480    HB   VAL  68           HB       VAL  68   5.993  -0.701  -0.610
  481   1HG1  VAL  68          1HG1      VAL  68   8.005  -2.040  -1.556
  482   2HG1  VAL  68          2HG1      VAL  68   8.612  -0.453  -2.086
  483   3HG1  VAL  68          3HG1      VAL  68   8.314  -0.760  -0.358
  484   1HG2  VAL  68          3HG2      VAL  68   5.479   1.355  -1.984
  485   2HG2  VAL  68          1HG2      VAL  68   6.801   1.541  -0.807
  486   3HG2  VAL  68          2HG2      VAL  68   7.172   1.325  -2.534
  487    H    MET  69           H        MET  69   4.129  -0.567  -4.537
  488    HA   MET  69           HA       MET  69   1.880  -0.992  -2.723
  489   1HB   MET  69          1HB       MET  69   2.131   0.976  -5.068
  490   2HB   MET  69          2HB       MET  69   0.714   0.804  -4.051
  491   1HG   MET  69          1HG       MET  69   3.442   1.481  -2.873
  492   2HG   MET  69          2HG       MET  69   2.372   2.729  -3.481
  493   1HE   MET  69          2HE       MET  69   3.627   1.369  -0.558
  494   2HE   MET  69          3HE       MET  69   3.107   3.070  -0.496
  495   3HE   MET  69          1HE       MET  69   2.421   1.888   0.644
  496    H    HIS  70           H        HIS  70   3.522  -2.087  -5.482
  497    HA   HIS  70           HA       HIS  70   1.126  -3.517  -6.323
  498   1HB   HIS  70          1HB       HIS  70   3.071  -2.378  -8.334
  499   2HB   HIS  70          2HB       HIS  70   1.518  -3.131  -8.636
  500    HD1  HIS  70           HD1      HIS  70   2.970   0.044  -7.090
  501    HD2  HIS  70           HD2      HIS  70  -0.626  -1.394  -8.701
  502    HE1  HIS  70           HE1      HIS  70   1.405   2.053  -7.251
  503    H    ASP  71           H        ASP  71   4.679  -3.195  -7.054
  504    HA   ASP  71           HA       ASP  71   5.255  -5.612  -7.876
  505   1HB   ASP  71          1HB       ASP  71   6.736  -3.535  -6.954
  506   2HB   ASP  71          2HB       ASP  71   6.984  -4.635  -5.613
  507    H    LYS  72           H        LYS  72   5.566  -7.742  -6.985
  508    HA   LYS  72           HA       LYS  72   4.517  -8.053  -4.265
  509   1HB   LYS  72          1HB       LYS  72   4.693 -10.219  -6.362
  510   2HB   LYS  72          2HB       LYS  72   3.732 -10.196  -4.898
  511   1HG   LYS  72          1HG       LYS  72   2.357  -8.332  -5.797
  512   2HG   LYS  72          2HG       LYS  72   3.349  -8.272  -7.241
  513   1HD   LYS  72          1HD       LYS  72   2.570 -10.987  -7.029
  514   2HD   LYS  72          2HD       LYS  72   1.134 -10.083  -6.588
  515   1HE   LYS  72          1HE       LYS  72   2.779  -9.609  -9.122
  516   2HE   LYS  72          2HE       LYS  72   1.285 -10.523  -9.059
  517   1HZ   LYS  72          1HZ       LYS  72   0.131  -8.610  -9.113
  518   2HZ   LYS  72          2HZ       LYS  72   0.927  -7.981  -7.839
  519    H    ASN  73           H        ASN  73   7.227  -8.713  -6.485
  520    HA   ASN  73           HA       ASN  73   8.531 -10.503  -4.791
  521   1HB   ASN  73          1HB       ASN  73   8.918  -9.807  -7.352
  522   2HB   ASN  73          2HB       ASN  73  10.038  -8.649  -6.662
  523   1HD2  ASN  73          2HD2      ASN  73  11.373 -12.238  -7.424
  524   2HD2  ASN  73          1HD2      ASN  73  10.132 -11.326  -8.217
  525    H    THR  74           H        THR  74   7.994  -9.002  -2.783
  526    HA   THR  74           HA       THR  74  10.317  -7.254  -2.352
  527    HB   THR  74           HB       THR  74   8.751  -5.685  -1.160
  528    HG1  THR  74           HG1      THR  74   6.856  -6.737  -0.692
  529   1HG2  THR  74          1HG2      THR  74   8.555  -6.302  -4.067
  530   2HG2  THR  74          2HG2      THR  74   7.126  -5.472  -3.405
  531   3HG2  THR  74          3HG2      THR  74   8.736  -4.727  -3.258
  532    H    LYS  75           H        LYS  75  11.043  -7.091  -0.158
  533    HA   LYS  75           HA       LYS  75  10.913  -9.561   1.170
  534   1HB   LYS  75          1HB       LYS  75  12.894  -8.246   1.327
  535   2HB   LYS  75          2HB       LYS  75  12.020  -6.849   1.921
  536   1HG   LYS  75          1HG       LYS  75  11.288  -8.469   3.888
  537   2HG   LYS  75          2HG       LYS  75  12.655  -9.435   3.371
  538   1HD   LYS  75          1HD       LYS  75  12.896  -6.458   3.988
  539   2HD   LYS  75          2HD       LYS  75  13.119  -7.692   5.212
  540   1HE   LYS  75          1HE       LYS  75  14.658  -8.060   2.660
  541   2HE   LYS  75          2HE       LYS  75  15.160  -6.727   3.682
  542   1HZ   LYS  75          1HZ       LYS  75  15.622  -8.201   5.449
  543   2HZ   LYS  75          2HZ       LYS  75  14.768  -9.434   4.813
  544    H    PHE  76           H        PHE  76   8.945  -6.642   1.267
  545    HA   PHE  76           HA       PHE  76   7.550  -7.738   3.616
  546   1HB   PHE  76          1HB       PHE  76   7.818  -4.926   2.381
  547   2HB   PHE  76          2HB       PHE  76   6.786  -5.270   3.755
  548    HD1  PHE  76           HD2      PHE  76   8.016  -6.427   5.815
  549    HD2  PHE  76           HD1      PHE  76   9.978  -4.150   2.771
  550    HE1  PHE  76           HE2      PHE  76   9.972  -6.004   7.383
  551    HE2  PHE  76           HE1      PHE  76  11.928  -3.735   4.348
  552    HZ   PHE  76           HZ       PHE  76  11.838  -4.745   6.679
  553    H    LYS  77           H        LYS  77   5.184  -7.531   3.635
  554    HA   LYS  77           HA       LYS  77   4.069  -8.343   1.188
  555   1HB   LYS  77          1HB       LYS  77   3.052  -7.721   3.934
  556   2HB   LYS  77          2HB       LYS  77   1.892  -7.822   2.625
  557   1HG   LYS  77          1HG       LYS  77   3.902 -10.016   2.627
  558   2HG   LYS  77          2HG       LYS  77   2.875  -9.991   4.047
  559   1HD   LYS  77          1HD       LYS  77   1.577 -11.285   2.593
  560   2HD   LYS  77          2HD       LYS  77   0.903  -9.693   2.306
  561   1HE   LYS  77          1HE       LYS  77   1.526  -9.767   0.124
  562   2HE   LYS  77          2HE       LYS  77   3.199 -10.040   0.569
  563   1HZ   LYS  77          1HZ       LYS  77   1.171 -12.000  -0.156
  564   2HZ   LYS  77          2HZ       LYS  77   2.774 -12.028  -0.441
  565    H    SER  78           H        SER  78   3.290  -7.202  -0.510
  566    HA   SER  78           HA       SER  78   3.213  -4.327  -0.153
  567   1HB   SER  78          1HB       SER  78   3.635  -4.129  -2.450
  568   2HB   SER  78          2HB       SER  78   4.519  -5.586  -2.043
  569    HG   SER  78           HG       SER  78   3.275  -5.959  -3.935
  570    H    CYS  79           H        CYS  79   1.374  -3.090  -1.137
  571    HA   CYS  79           HA       CYS  79  -1.038  -3.797  -0.230
  572   1HB   CYS  79          1HB       CYS  79  -0.590  -2.281  -2.808
  573   2HB   CYS  79          2HB       CYS  79  -2.017  -2.219  -1.793
  574    H    VAL  80           H        VAL  80  -0.108  -4.101  -3.745
  575    HA   VAL  80           HA       VAL  80  -2.255  -5.797  -4.351
  576    HB   VAL  80           HB       VAL  80   0.386  -5.290  -5.735
  577   1HG1  VAL  80          2HG1      VAL  80  -2.105  -6.734  -6.685
  578   2HG1  VAL  80          3HG1      VAL  80  -0.860  -6.097  -7.786
  579   3HG1  VAL  80          1HG1      VAL  80  -0.439  -7.355  -6.600
  580   1HG2  VAL  80          2HG2      VAL  80  -1.134  -3.317  -5.362
  581   2HG2  VAL  80          3HG2      VAL  80  -0.792  -3.684  -7.070
  582   3HG2  VAL  80          1HG2      VAL  80  -2.355  -4.148  -6.356
  583    H    GLY  81           H        GLY  81   1.116  -6.364  -3.269
  584   1HA   GLY  81          1HA       GLY  81   1.417  -9.038  -3.805
  585   2HA   GLY  81          2HA       GLY  81   2.090  -8.204  -2.417
  586    H    CYS  82           H        CYS  82   0.158  -7.622  -0.691
  587    HA   CYS  82           HA       CYS  82  -0.592 -10.101   0.337
  588   1HB   CYS  82          1HB       CYS  82  -0.196  -8.097   1.724
  589   2HB   CYS  82          2HB       CYS  82  -1.629  -7.339   1.059
  590    H    HIS  83           H        HIS  83  -2.359  -7.504  -1.463
  591    HA   HIS  83           HA       HIS  83  -4.890  -8.538  -1.291
  592   1HB   HIS  83          1HB       HIS  83  -3.460  -6.855  -3.330
  593   2HB   HIS  83          2HB       HIS  83  -5.101  -7.387  -3.638
  594    HD1  HIS  83           HD1      HIS  83  -5.913  -4.887  -3.500
  595    HD2  HIS  83           HD2      HIS  83  -4.268  -6.399   0.050
  596    HE1  HIS  83           HE1      HIS  83  -6.547  -3.238  -1.660
  597    H    VAL  84           H        VAL  84  -2.233  -9.327  -3.603
  598    HA   VAL  84           HA       VAL  84  -3.687 -10.986  -5.272
  599    HB   VAL  84           HB       VAL  84  -0.786 -11.032  -4.425
  600   1HG1  VAL  84          1HG1      VAL  84  -2.078 -13.097  -5.703
  601   2HG1  VAL  84          2HG1      VAL  84  -1.466 -12.133  -7.069
  602   3HG1  VAL  84          3HG1      VAL  84  -0.340 -12.733  -5.827
  603   1HG2  VAL  84          2HG2      VAL  84  -2.270  -9.191  -5.973
  604   2HG2  VAL  84          3HG2      VAL  84  -0.503  -9.279  -5.774
  605   3HG2  VAL  84          1HG2      VAL  84  -1.291 -10.136  -7.121
  606    H    GLU  85           H        GLU  85  -2.228 -11.553  -2.053
  607    HA   GLU  85           HA       GLU  85  -2.668 -14.347  -2.191
  608   1HB   GLU  85          1HB       GLU  85  -1.551 -12.398  -0.262
  609   2HB   GLU  85          2HB       GLU  85  -2.379 -13.738   0.505
  610   1HG   GLU  85          1HG       GLU  85  -0.765 -14.762  -1.682
  611   2HG   GLU  85          2HG       GLU  85   0.233 -13.729  -0.677
  612    H    VAL  86           H        VAL  86  -4.450 -11.484  -1.035
  613    HA   VAL  86           HA       VAL  86  -6.377 -12.998   0.424
  614    HB   VAL  86           HB       VAL  86  -6.398 -10.153  -0.603
  615   1HG1  VAL  86          2HG1      VAL  86  -8.642 -11.206   0.008
  616   2HG1  VAL  86          3HG1      VAL  86  -8.035 -11.281   1.680
  617   3HG1  VAL  86          1HG1      VAL  86  -8.204  -9.708   0.864
  618   1HG2  VAL  86          1HG2      VAL  86  -4.739 -11.319   1.326
  619   2HG2  VAL  86          2HG2      VAL  86  -5.043  -9.582   1.080
  620   3HG2  VAL  86          3HG2      VAL  86  -6.013 -10.498   2.259
  621    H    ALA  87           H        ALA  87  -6.384 -11.222  -2.747
  622    HA   ALA  87           HA       ALA  87  -8.957 -12.095  -3.457
  623   1HB   ALA  87          1HB       ALA  87  -7.781 -10.115  -4.399
  624   2HB   ALA  87          2HB       ALA  87  -6.632 -11.204  -5.212
  625   3HB   ALA  87          3HB       ALA  87  -8.352 -11.225  -5.668
  626    H    GLY  88           H        GLY  88  -5.838 -13.663  -3.374
  627   1HA   GLY  88          1HA       GLY  88  -5.060 -15.575  -4.338
  628   2HA   GLY  88          2HA       GLY  88  -6.563 -16.199  -3.688
  629    H    ALA  89           H        ALA  89  -7.519 -17.504  -5.189
  630    HA   ALA  89           HA       ALA  89  -7.218 -16.833  -7.999
  631   1HB   ALA  89          3HB       ALA  89  -6.819 -19.146  -7.148
  632   2HB   ALA  89          1HB       ALA  89  -8.523 -19.224  -6.638
  633   3HB   ALA  89          2HB       ALA  89  -8.117 -19.075  -8.364
  634    H    ASP  90           H        ASP  90  -8.529 -14.795  -7.658
  635    HA   ASP  90           HA       ASP  90 -11.258 -15.446  -8.247
  636   1HB   ASP  90          1HB       ASP  90 -11.057 -15.094  -5.708
  637   2HB   ASP  90          2HB       ASP  90 -10.598 -13.437  -6.047
  638    H    ALA  91           H        ALA  91 -10.733 -14.534 -10.351
  639    HA   ALA  91           HA       ALA  91  -9.297 -12.344 -10.951
  640   1HB   ALA  91          3HB       ALA  91 -10.990 -14.044 -12.283
  641   2HB   ALA  91          1HB       ALA  91 -11.880 -12.507 -12.394
  642   3HB   ALA  91          2HB       ALA  91 -10.214 -12.618 -13.012
  643    H    ALA  92           H        ALA  92 -12.791 -12.378  -9.973
  644    HA   ALA  92           HA       ALA  92 -13.402  -9.765 -10.203
  645   1HB   ALA  92          1HB       ALA  92 -14.660 -11.893  -9.216
  646   2HB   ALA  92          2HB       ALA  92 -14.166 -11.177  -7.663
  647   3HB   ALA  92          3HB       ALA  92 -15.175 -10.243  -8.794
  648    H    LYS  93           H        LYS  93 -12.045 -11.233  -7.160
  649    HA   LYS  93           HA       LYS  93 -11.517  -8.721  -6.015
  650   1HB   LYS  93          1HB       LYS  93 -10.685 -11.552  -5.391
  651   2HB   LYS  93          2HB       LYS  93 -10.041 -10.202  -4.480
  652   1HG   LYS  93          1HG       LYS  93 -13.035 -10.593  -4.902
  653   2HG   LYS  93          2HG       LYS  93 -12.182 -11.314  -3.552
  654   1HD   LYS  93          1HD       LYS  93 -11.658  -9.210  -2.582
  655   2HD   LYS  93          2HD       LYS  93 -11.879  -8.347  -4.091
  656   1HE   LYS  93          1HE       LYS  93 -14.292  -9.791  -3.056
  657   2HE   LYS  93          2HE       LYS  93 -13.759  -8.422  -2.101
  658   1HZ   LYS  93          1HZ       LYS  93 -13.813  -7.898  -4.943
  659   2HZ   LYS  93          2HZ       LYS  93 -15.283  -8.219  -4.320
  660    H    LYS  94           H        LYS  94  -9.719 -10.877  -8.198
  661    HA   LYS  94           HA       LYS  94  -7.230  -9.547  -7.794
  662   1HB   LYS  94          1HB       LYS  94  -8.007 -11.964  -8.839
  663   2HB   LYS  94          2HB       LYS  94  -7.630 -11.063 -10.294
  664   1HG   LYS  94          1HG       LYS  94  -5.376 -10.825  -9.743
  665   2HG   LYS  94          2HG       LYS  94  -5.681 -10.826  -8.017
  666   1HD   LYS  94          1HD       LYS  94  -4.751 -12.944  -8.232
  667   2HD   LYS  94          2HD       LYS  94  -6.438 -13.353  -8.469
  668   1HE   LYS  94          1HE       LYS  94  -6.140 -13.866 -10.690
  669   2HE   LYS  94          2HE       LYS  94  -5.061 -12.513 -10.964
  670   1HZ   LYS  94          1HZ       LYS  94  -3.346 -13.932 -10.804
  671   2HZ   LYS  94          2HZ       LYS  94  -3.751 -14.345  -9.282
  672    H    LYS  95           H        LYS  95 -10.105  -8.459  -9.043
  673    HA   LYS  95           HA       LYS  95  -8.698  -6.740 -10.968
  674   1HB   LYS  95          1HB       LYS  95 -10.613  -8.513 -11.656
  675   2HB   LYS  95          2HB       LYS  95 -11.632  -7.150 -11.240
  676   1HG   LYS  95          1HG       LYS  95 -10.681  -5.753 -12.901
  677   2HG   LYS  95          2HG       LYS  95  -9.206  -6.695 -12.996
  678   1HD   LYS  95          1HD       LYS  95 -11.521  -8.357 -13.667
  679   2HD   LYS  95          2HD       LYS  95 -11.493  -6.918 -14.667
  680   1HE   LYS  95          1HE       LYS  95  -8.800  -8.054 -14.409
  681   2HE   LYS  95          2HE       LYS  95  -9.926  -9.257 -15.005
  682   1HZ   LYS  95          1HZ       LYS  95 -10.296  -8.058 -16.915
  683   2HZ   LYS  95          2HZ       LYS  95 -10.074  -6.601 -16.223
  684    H    ASP  96           H        ASP  96 -10.020  -6.945  -7.903
  685    HA   ASP  96           HA       ASP  96 -10.811  -4.140  -8.033
  686   1HB   ASP  96          1HB       ASP  96 -12.159  -6.458  -6.936
  687   2HB   ASP  96          2HB       ASP  96 -11.748  -5.386  -5.611
  688    H    LEU  97           H        LEU  97  -9.199  -6.813  -6.223
  689    HA   LEU  97           HA       LEU  97  -8.115  -4.948  -4.289
  690   1HB   LEU  97          1HB       LEU  97  -8.002  -7.943  -4.611
  691   2HB   LEU  97          2HB       LEU  97  -7.058  -7.086  -3.408
  692    HG   LEU  97           HG       LEU  97 -10.060  -7.347  -3.591
  693   1HD1  LEU  97          2HD1      LEU  97  -8.300  -8.972  -2.385
  694   2HD1  LEU  97          3HD1      LEU  97  -8.542  -7.791  -1.076
  695   3HD1  LEU  97          1HD1      LEU  97  -9.936  -8.665  -1.755
  696   1HD2  LEU  97          1HD2      LEU  97  -8.455  -5.201  -2.299
  697   2HD2  LEU  97          2HD2      LEU  97 -10.105  -5.167  -2.967
  698   3HD2  LEU  97          3HD2      LEU  97  -9.808  -5.885  -1.366
  699    H    THR  98           H        THR  98  -7.218  -6.693  -7.246
  700    HA   THR  98           HA       THR  98  -4.595  -5.370  -7.094
  701    HB   THR  98           HB       THR  98  -3.543  -7.399  -7.901
  702    HG1  THR  98           HG1      THR  98  -4.837  -8.789  -9.055
  703   1HG2  THR  98          1HG2      THR  98  -5.710  -8.153  -5.870
  704   2HG2  THR  98          2HG2      THR  98  -4.336  -9.196  -6.306
  705   3HG2  THR  98          3HG2      THR  98  -4.049  -7.640  -5.491
  706    H    GLY  99           H        GLY  99  -7.427  -4.959  -8.405
  707   1HA   GLY  99          1HA       GLY  99  -7.072  -5.252 -11.187
  708   2HA   GLY  99          2HA       GLY  99  -8.218  -4.207 -10.371
  709    H    CYS 100           H        CYS 100  -6.632  -3.624 -12.801
  710    HA   CYS 100           HA       CYS 100  -4.662  -1.723 -11.870
  711   1HB   CYS 100          1HB       CYS 100  -5.303  -3.056 -14.425
  712   2HB   CYS 100          2HB       CYS 100  -4.763  -1.395 -14.571
  713    H    LYS 101           H        LYS 101  -7.633  -1.806 -13.980
  714    HA   LYS 101           HA       LYS 101  -8.142   0.955 -13.117
  715   1HB   LYS 101          1HB       LYS 101  -7.317   0.853 -15.456
  716   2HB   LYS 101          2HB       LYS 101  -8.649  -0.205 -15.873
  717   1HG   LYS 101          1HG       LYS 101 -10.131   1.734 -14.782
  718   2HG   LYS 101          2HG       LYS 101  -8.720   2.720 -15.110
  719   1HD   LYS 101          1HD       LYS 101  -9.392   2.917 -17.264
  720   2HD   LYS 101          2HD       LYS 101  -9.137   1.196 -17.478
  721   1HE   LYS 101          1HE       LYS 101 -11.378   1.066 -17.874
  722   2HE   LYS 101          2HE       LYS 101 -11.578   1.246 -16.142
  723   1HZ   LYS 101          1HZ       LYS 101 -12.812   2.909 -17.570
  724   2HZ   LYS 101          2HZ       LYS 101 -11.905   3.577 -16.394
  725    H    LYS 102           H        LYS 102 -10.256   1.445 -12.510
  726    HA   LYS 102           HA       LYS 102 -12.346   1.095 -11.885
  727   1HB   LYS 102          1HB       LYS 102 -12.099  -0.730 -14.198
  728   2HB   LYS 102          2HB       LYS 102 -13.390  -1.129 -13.083
  729   1HG   LYS 102          1HG       LYS 102 -13.892   1.493 -13.200
  730   2HG   LYS 102          2HG       LYS 102 -12.998   1.395 -14.704
  731   1HD   LYS 102          1HD       LYS 102 -14.978   0.781 -15.651
  732   2HD   LYS 102          2HD       LYS 102 -14.689  -0.791 -14.932
  733   1HE   LYS 102          1HE       LYS 102 -16.691  -0.465 -13.876
  734   2HE   LYS 102          2HE       LYS 102 -15.785   0.567 -12.787
  735   1HZ   LYS 102          1HZ       LYS 102 -16.638   2.442 -13.758
  736   2HZ   LYS 102          2HZ       LYS 102 -16.716   1.812 -15.258
  737    H    SER 103           H        SER 103 -10.356   0.328 -10.167
  738    HA   SER 103           HA       SER 103 -11.434  -2.170  -9.112
  739   1HB   SER 103          1HB       SER 103  -8.952  -1.912  -7.910
  740   2HB   SER 103          2HB       SER 103  -9.304  -2.933  -9.290
  741    HG   SER 103           HG       SER 103  -8.384  -0.186  -9.413
  742    H    LYS 104           H        LYS 104 -10.348  -2.116  -6.542
  743    HA   LYS 104           HA       LYS 104 -11.957  -0.092  -5.336
  744   1HB   LYS 104          1HB       LYS 104 -10.174  -2.277  -4.236
  745   2HB   LYS 104          2HB       LYS 104 -11.049  -1.156  -3.213
  746   1HG   LYS 104          1HG       LYS 104 -12.633  -2.506  -5.379
  747   2HG   LYS 104          2HG       LYS 104 -12.100  -3.520  -4.052
  748   1HD   LYS 104          1HD       LYS 104 -13.034  -1.380  -2.630
  749   2HD   LYS 104          2HD       LYS 104 -14.061  -1.254  -4.044
  750   1HE   LYS 104          1HE       LYS 104 -13.697  -3.878  -2.533
  751   2HE   LYS 104          2HE       LYS 104 -14.939  -2.718  -2.103
  752   1HZ   LYS 104          1HZ       LYS 104 -15.304  -2.956  -4.765
  753   2HZ   LYS 104          2HZ       LYS 104 -14.826  -4.469  -4.400
  754    H    CYS 105           H        CYS 105  -8.538  -0.551  -6.152
  755    HA   CYS 105           HA       CYS 105  -7.717   1.605  -4.441
  756   1HB   CYS 105          1HB       CYS 105  -6.179   0.020  -6.526
  757   2HB   CYS 105          2HB       CYS 105  -5.479   1.214  -5.451
  758    H    HIS 106           H        HIS 106  -7.503   0.935  -8.022
  759    HA   HIS 106           HA       HIS 106  -7.596   3.811  -8.452
  760   1HB   HIS 106          1HB       HIS 106  -6.870   1.518 -10.296
  761   2HB   HIS 106          2HB       HIS 106  -6.903   3.203 -10.775
  762    HD1  HIS 106           HD1      HIS 106  -5.349   4.741  -8.840
  763    HD2  HIS 106           HD2      HIS 106  -4.320   0.772  -9.726
  764    HE1  HIS 106           HE1      HIS 106  -2.900   4.472  -8.177
  765    H    GLU 107           H        GLU 107  -9.188   4.813  -9.752
  766    HA   GLU 107           HA       GLU 107 -11.458   3.064 -10.306
  767   1HB   GLU 107          1HB       GLU 107 -11.293   5.832  -9.127
  768   2HB   GLU 107          2HB       GLU 107 -12.693   5.437 -10.105
  769   1HG   GLU 107          1HG       GLU 107 -11.998   3.306  -8.167
  770   2HG   GLU 107          2HG       GLU 107 -12.378   4.834  -7.396
  771    HHA  HEC 108           HHA      HEC 108  -0.884   6.567   7.497
  772    HHB  HEC 108           HHB      HEC 108  -1.722   3.999  13.312
  773    HHC  HEC 108           HHC      HEC 108  -2.500  -1.780  10.654
  774    HHD  HEC 108           HHD      HEC 108  -1.241   0.739   4.853
  775   1HMA  HEC 108          1HMA      HEC 108  -1.730   6.020  13.509
  776   2HMA  HEC 108          2HMA      HEC 108  -0.186   6.795  13.083
  777   3HMA  HEC 108          3HMA      HEC 108  -1.724   7.595  12.680
  778   1HAA  HEC 108          1HAA      HEC 108  -0.369   7.960   8.848
  779   2HAA  HEC 108          2HAA      HEC 108  -1.646   8.492   9.967
  780   1HBA  HEC 108          1HBA      HEC 108   0.663   7.830  11.505
  781   2HBA  HEC 108          2HBA      HEC 108   1.160   8.878  10.155
  782   1HMB  HEC 108          1HMB      HEC 108  -2.455   0.865  15.235
  783   2HMB  HEC 108          2HMB      HEC 108  -1.808   2.484  14.876
  784   3HMB  HEC 108          3HMB      HEC 108  -3.556   2.176  14.748
  785    HAB  HEC 108           HAB      HEC 108  -3.179  -1.893  12.528
  786   1HBB  HEC 108          1HBB      HEC 108  -3.919  -0.649  15.146
  787   2HBB  HEC 108          2HBB      HEC 108  -4.902  -0.303  13.703
  788   3HBB  HEC 108          3HBB      HEC 108  -4.686  -1.983  14.252
  789   1HMC  HEC 108          1HMC      HEC 108  -3.678  -3.280   8.064
  790   2HMC  HEC 108          2HMC      HEC 108  -2.047  -3.786   7.560
  791   3HMC  HEC 108          3HMC      HEC 108  -2.352  -3.323   9.252
  792    HAC  HEC 108           HAC      HEC 108  -2.048  -1.162   4.553
  793   1HBC  HEC 108          1HBC      HEC 108  -3.108  -3.141   4.130
  794   2HBC  HEC 108          2HBC      HEC 108  -2.492  -3.922   5.606
  795   3HBC  HEC 108          3HBC      HEC 108  -3.815  -2.736   5.713
  796   1HMD  HEC 108          1HMD      HEC 108   0.023   2.066   3.544
  797   2HMD  HEC 108          2HMD      HEC 108  -1.444   2.943   3.049
  798   3HMD  HEC 108          3HMD      HEC 108   0.123   3.785   3.095
  799   1HAD  HEC 108          1HAD      HEC 108  -0.598   6.766   5.503
  800   2HAD  HEC 108          2HAD      HEC 108   0.830   5.972   4.798
  801   1HBD  HEC 108          1HBD      HEC 108  -1.423   5.225   3.234
  802   2HBD  HEC 108          2HBD      HEC 108  -1.491   6.985   3.492
  803    HHA  HEC 109           HHA      HEC 109  11.700  -2.358   1.704
  804    HHB  HEC 109           HHB      HEC 109   5.338  -1.670   1.298
  805    HHC  HEC 109           HHC      HEC 109   5.598   3.233   5.419
  806    HHD  HEC 109           HHD      HEC 109  12.074   3.178   4.918
  807   1HMA  HEC 109          1HMA      HEC 109   7.241  -4.038  -0.741
  808   2HMA  HEC 109          2HMA      HEC 109   6.605  -4.578   0.832
  809   3HMA  HEC 109          3HMA      HEC 109   5.893  -3.161   0.023
  810   1HAA  HEC 109          1HAA      HEC 109  10.979  -3.997   0.810
  811   2HAA  HEC 109          2HAA      HEC 109   9.528  -4.964   0.451
  812   1HBA  HEC 109          1HBA      HEC 109   9.277  -3.656  -1.668
  813   2HBA  HEC 109          2HBA      HEC 109  10.848  -2.897  -1.318
  814   1HMB  HEC 109          1HMB      HEC 109   2.430  -0.515   3.291
  815   2HMB  HEC 109          2HMB      HEC 109   2.812   0.054   1.648
  816   3HMB  HEC 109          3HMB      HEC 109   3.457  -1.502   2.224
  817    HAB  HEC 109           HAB      HEC 109   3.706   2.682   5.282
  818   1HBB  HEC 109          1HBB      HEC 109   2.061   1.491   6.183
  819   2HBB  HEC 109          2HBB      HEC 109   1.392   1.061   4.590
  820   3HBB  HEC 109          3HBB      HEC 109   2.710   0.093   5.293
  821   1HMC  HEC 109          1HMC      HEC 109   6.506   4.565   6.954
  822   2HMC  HEC 109          2HMC      HEC 109   7.970   5.437   7.467
  823   3HMC  HEC 109          3HMC      HEC 109   7.164   5.872   5.941
  824    HAC  HEC 109           HAC      HEC 109  11.612   4.718   6.031
  825   1HBC  HEC 109          1HBC      HEC 109  11.561   5.425   8.203
  826   2HBC  HEC 109          2HBC      HEC 109   9.829   5.831   8.153
  827   3HBC  HEC 109          3HBC      HEC 109  10.341   4.130   8.264
  828   1HMD  HEC 109          1HMD      HEC 109  14.839   1.014   4.590
  829   2HMD  HEC 109          2HMD      HEC 109  14.711   2.075   3.166
  830   3HMD  HEC 109          3HMD      HEC 109  13.903   2.525   4.687
  831   1HAD  HEC 109          1HAD      HEC 109  13.656  -2.037   2.185
  832   2HAD  HEC 109          2HAD      HEC 109  14.355  -0.592   1.417
  833   1HBD  HEC 109          1HBD      HEC 109  14.883  -0.966   4.319
  834   2HBD  HEC 109          2HBD      HEC 109  15.678  -2.085   3.186
  835    HHA  HEC 110           HHA      HEC 110 -10.221  -4.780   0.928
  836    HHB  HEC 110           HHB      HEC 110  -6.385   0.054  -0.811
  837    HHC  HEC 110           HHC      HEC 110  -1.488  -2.779   2.191
  838    HHD  HEC 110           HHD      HEC 110  -5.178  -7.931   3.323
  839   1HMA  HEC 110          1HMA      HEC 110  -8.642   0.685  -0.918
  840   2HMA  HEC 110          2HMA      HEC 110  -8.620  -0.269  -2.420
  841   3HMA  HEC 110          3HMA      HEC 110 -10.127  -0.115  -1.487
  842   1HAA  HEC 110          1HAA      HEC 110 -11.207  -2.063  -1.466
  843   2HAA  HEC 110          2HAA      HEC 110 -11.168  -3.676  -0.714
  844   1HBA  HEC 110          1HBA      HEC 110 -11.266  -1.814   1.405
  845   2HBA  HEC 110          2HBA      HEC 110 -12.448  -1.273   0.189
  846   1HMB  HEC 110          1HMB      HEC 110  -4.688   0.959  -1.466
  847   2HMB  HEC 110          2HMB      HEC 110  -3.799   1.754  -0.145
  848   3HMB  HEC 110          3HMB      HEC 110  -2.908   0.959  -1.465
  849    HAB  HEC 110           HAB      HEC 110  -0.767  -1.157   1.278
  850   1HBB  HEC 110          1HBB      HEC 110  -0.074   1.138   1.089
  851   2HBB  HEC 110          2HBB      HEC 110  -1.596   1.576   0.276
  852   3HBB  HEC 110          3HBB      HEC 110  -1.613   1.064   1.981
  853   1HMC  HEC 110          1HMC      HEC 110  -0.191  -4.522   2.336
  854   2HMC  HEC 110          2HMC      HEC 110  -0.350  -5.183   3.981
  855   3HMC  HEC 110          3HMC      HEC 110  -0.090  -6.279   2.603
  856    HAC  HEC 110           HAC      HEC 110  -3.255  -8.123   4.390
  857   1HBC  HEC 110          1HBC      HEC 110  -1.108  -6.792   5.021
  858   2HBC  HEC 110          2HBC      HEC 110  -1.153  -8.559   5.228
  859   3HBC  HEC 110          3HBC      HEC 110  -0.323  -7.848   3.822
  860   1HMD  HEC 110          1HMD      HEC 110  -8.706  -8.787   4.118
  861   2HMD  HEC 110          2HMD      HEC 110  -7.727  -9.519   2.824
  862   3HMD  HEC 110          3HMD      HEC 110  -6.929  -8.727   4.204
  863   1HAD  HEC 110          1HAD      HEC 110 -10.407  -8.064   2.886
  864   2HAD  HEC 110          2HAD      HEC 110 -10.887  -6.352   2.803
  865   1HBD  HEC 110          1HBD      HEC 110 -11.607  -6.562   0.709
  866   2HBD  HEC 110          2HBD      HEC 110 -10.133  -7.417   0.196
  867    HHA  HEC 111           HHA      HEC 111   0.544   5.418  -7.585
  868    HHB  HEC 111           HHB      HEC 111  -0.487   1.963 -12.887
  869    HHC  HEC 111           HHC      HEC 111  -3.277  -2.621  -9.385
  870    HHD  HEC 111           HHD      HEC 111  -2.993   1.279  -4.207
  871   1HMA  HEC 111          1HMA      HEC 111   1.471   5.246 -12.747
  872   2HMA  HEC 111          2HMA      HEC 111   1.414   3.515 -13.156
  873   3HMA  HEC 111          3HMA      HEC 111  -0.035   4.527 -13.365
  874   1HAA  HEC 111          1HAA      HEC 111   0.717   6.862 -10.632
  875   2HAA  HEC 111          2HAA      HEC 111   1.390   6.372  -9.059
  876   1HBA  HEC 111          1HBA      HEC 111   3.422   6.412  -9.930
  877   2HBA  HEC 111          2HBA      HEC 111   2.959   5.143 -11.089
  878   1HMB  HEC 111          1HMB      HEC 111  -0.489  -1.576 -13.878
  879   2HMB  HEC 111          2HMB      HEC 111  -1.828  -0.513 -14.373
  880   3HMB  HEC 111          3HMB      HEC 111  -0.260   0.190 -13.906
  881    HAB  HEC 111           HAB      HEC 111  -3.328  -3.183 -11.424
  882   1HBB  HEC 111          1HBB      HEC 111  -1.147  -3.987 -10.689
  883   2HBB  HEC 111          2HBB      HEC 111  -1.715  -4.882 -12.120
  884   3HBB  HEC 111          3HBB      HEC 111  -0.462  -3.630 -12.293
  885   1HMC  HEC 111          1HMC      HEC 111  -4.281  -3.664  -6.131
  886   2HMC  HEC 111          2HMC      HEC 111  -5.688  -2.793  -6.788
  887   3HMC  HEC 111          3HMC      HEC 111  -4.431  -3.412  -7.886
  888    HAC  HEC 111           HAC      HEC 111  -3.882  -0.416  -3.625
  889   1HBC  HEC 111          1HBC      HEC 111  -5.010  -3.132  -4.158
  890   2HBC  HEC 111          2HBC      HEC 111  -3.244  -2.917  -4.136
  891   3HBC  HEC 111          3HBC      HEC 111  -4.210  -2.484  -2.705
  892   1HMD  HEC 111          1HMD      HEC 111  -2.032   4.234  -2.877
  893   2HMD  HEC 111          2HMD      HEC 111  -2.098   2.455  -2.907
  894   3HMD  HEC 111          3HMD      HEC 111  -0.544   3.284  -2.648
  895   1HAD  HEC 111          1HAD      HEC 111   0.683   5.183  -3.904
  896   2HAD  HEC 111          2HAD      HEC 111   1.001   5.688  -5.581
  897   1HBD  HEC 111          1HBD      HEC 111  -1.164   6.900  -5.578
  898   2HBD  HEC 111          2HBD      HEC 111  -1.364   6.471  -3.862
   
  No H/Q in entry =         898
  Start of MODEL   11
    1   1H    ALA   1          1H        ALA   1   1.666   2.732  21.831
    2   2H    ALA   1          2H        ALA   1   3.006   2.503  20.886
    3    HA   ALA   1           HA       ALA   1   1.750   2.762  18.920
    4   1HB   ALA   1          1HB       ALA   1   1.275   0.648  20.954
    5   2HB   ALA   1          2HB       ALA   1   0.105   0.697  19.614
    6   3HB   ALA   1          3HB       ALA   1   1.842   0.513  19.272
    7    HA   PRO   2           HA       PRO   2  -1.787   5.218  20.022
    8   1HB   PRO   2          1HB       PRO   2  -1.777   6.789  17.786
    9   2HB   PRO   2          2HB       PRO   2  -0.911   7.203  19.252
   10   1HG   PRO   2          1HG       PRO   2   0.158   6.176  16.695
   11   2HG   PRO   2          2HG       PRO   2   1.010   6.985  17.995
   12   1HD   PRO   2          1HD       PRO   2   1.030   4.175  17.416
   13   2HD   PRO   2          2HD       PRO   2   1.787   4.969  18.783
   14    H    LYS   3           H        LYS   3  -3.785   5.987  18.509
   15    HA   LYS   3           HA       LYS   3  -4.707   3.423  17.518
   16   1HB   LYS   3          1HB       LYS   3  -5.886   5.624  18.868
   17   2HB   LYS   3          2HB       LYS   3  -6.644   5.541  17.291
   18   1HG   LYS   3          1HG       LYS   3  -7.325   3.249  17.621
   19   2HG   LYS   3          2HG       LYS   3  -6.271   3.053  19.007
   20   1HD   LYS   3          1HD       LYS   3  -7.681   4.274  20.437
   21   2HD   LYS   3          2HD       LYS   3  -8.380   5.209  19.129
   22   1HE   LYS   3          1HE       LYS   3 -10.162   3.789  19.324
   23   2HE   LYS   3          2HE       LYS   3  -9.173   2.659  18.420
   24   1HZ   LYS   3          1HZ       LYS   3  -8.771   1.431  20.285
   25   2HZ   LYS   3          2HZ       LYS   3  -8.692   2.710  21.290
   26    H    ALA   4           H        ALA   4  -5.899   3.336  15.402
   27    HA   ALA   4           HA       ALA   4  -4.227   4.303  13.360
   28   1HB   ALA   4          1HB       ALA   4  -5.885   2.242  13.542
   29   2HB   ALA   4          2HB       ALA   4  -7.052   3.398  12.858
   30   3HB   ALA   4          3HB       ALA   4  -5.560   3.009  11.969
   31    HA   PRO   5           HA       PRO   5  -6.006   8.155  12.526
   32   1HB   PRO   5          1HB       PRO   5  -5.449   8.478   9.870
   33   2HB   PRO   5          2HB       PRO   5  -4.269   8.749  11.137
   34   1HG   PRO   5          1HG       PRO   5  -4.488   6.472   9.264
   35   2HG   PRO   5          2HG       PRO   5  -3.112   6.973  10.227
   36   1HD   PRO   5          1HD       PRO   5  -4.875   4.774  10.764
   37   2HD   PRO   5          2HD       PRO   5  -3.571   5.346  11.785
   38    H    ALA   6           H        ALA   6  -7.601   9.455  11.239
   39    HA   ALA   6           HA       ALA   6 -10.002   8.096  11.229
   40   1HB   ALA   6          3HB       ALA   6  -8.949  10.719  10.472
   41   2HB   ALA   6          1HB       ALA   6 -10.289  10.209   9.418
   42   3HB   ALA   6          2HB       ALA   6 -10.523  10.288  11.181
   43    H    ASP   7           H        ASP   7 -11.421   8.267   8.981
   44    HA   ASP   7           HA       ASP   7 -10.024   6.405   7.276
   45   1HB   ASP   7          1HB       ASP   7 -12.165   5.717   6.518
   46   2HB   ASP   7          2HB       ASP   7 -12.413   6.065   8.218
   47    H    GLY   8           H        GLY   8 -10.999   6.718   4.779
   48   1HA   GLY   8          1HA       GLY   8 -11.097   7.990   2.920
   49   2HA   GLY   8          2HA       GLY   8 -11.428   9.392   3.919
   50    H    LEU   9           H        LEU   9  -8.558   7.384   4.532
   51    HA   LEU   9           HA       LEU   9  -6.878   9.655   4.134
   52   1HB   LEU   9          1HB       LEU   9  -6.372   8.234   5.939
   53   2HB   LEU   9          2HB       LEU   9  -6.436   6.793   4.944
   54    HG   LEU   9           HG       LEU   9  -4.148   7.915   5.742
   55   1HD1  LEU   9          3HD1      LEU   9  -4.762   5.823   4.229
   56   2HD1  LEU   9          1HD1      LEU   9  -4.089   6.862   2.950
   57   3HD1  LEU   9          2HD1      LEU   9  -3.095   6.435   4.364
   58   1HD2  LEU   9          1HD2      LEU   9  -4.871  10.010   4.369
   59   2HD2  LEU   9          2HD2      LEU   9  -3.182   9.450   4.314
   60   3HD2  LEU   9          3HD2      LEU   9  -4.291   9.068   2.974
   61    H    LYS  10           H        LYS  10  -6.797  10.336   2.010
   62    HA   LYS  10           HA       LYS  10  -6.161   8.288   0.019
   63   1HB   LYS  10          1HB       LYS  10  -8.037   9.449  -0.718
   64   2HB   LYS  10          2HB       LYS  10  -7.475  10.987  -0.094
   65   1HG   LYS  10          1HG       LYS  10  -5.569  10.872  -1.813
   66   2HG   LYS  10          2HG       LYS  10  -6.377   9.482  -2.511
   67   1HD   LYS  10          1HD       LYS  10  -7.250  11.233  -3.809
   68   2HD   LYS  10          2HD       LYS  10  -8.499  11.043  -2.595
   69   1HE   LYS  10          1HE       LYS  10  -8.179  13.354  -2.498
   70   2HE   LYS  10          2HE       LYS  10  -7.067  12.837  -1.245
   71   1HZ   LYS  10          1HZ       LYS  10  -5.278  13.385  -2.528
   72   2HZ   LYS  10          2HZ       LYS  10  -5.957  12.922  -3.934
   73    H    MET  11           H        MET  11  -4.316   8.467  -1.319
   74    HA   MET  11           HA       MET  11  -2.404  10.450  -0.350
   75   1HB   MET  11          1HB       MET  11  -0.696   8.597  -1.133
   76   2HB   MET  11          2HB       MET  11  -1.533   8.354   0.387
   77   1HG   MET  11          1HG       MET  11  -2.828   6.615  -0.437
   78   2HG   MET  11          2HG       MET  11  -2.956   7.320  -2.036
   79   1HE   MET  11          2HE       MET  11  -0.988   5.725   0.562
   80   2HE   MET  11          3HE       MET  11  -0.057   4.455  -0.269
   81   3HE   MET  11          1HE       MET  11   0.654   6.070  -0.033
   82    H    GLU  12           H        GLU  12  -2.264  12.007  -1.922
   83    HA   GLU  12           HA       GLU  12  -2.315  11.064  -4.674
   84   1HB   GLU  12          1HB       GLU  12  -4.001  12.809  -3.898
   85   2HB   GLU  12          2HB       GLU  12  -2.664  13.918  -3.663
   86   1HG   GLU  12          1HG       GLU  12  -2.931  12.515  -6.329
   87   2HG   GLU  12          2HG       GLU  12  -4.003  13.855  -5.975
   88    H    ALA  13           H        ALA  13   0.002  10.311  -4.154
   89    HA   ALA  13           HA       ALA  13   1.884  12.548  -4.156
   90   1HB   ALA  13          3HB       ALA  13   1.985  10.552  -2.517
   91   2HB   ALA  13          1HB       ALA  13   2.533   9.597  -3.916
   92   3HB   ALA  13          2HB       ALA  13   3.487  10.995  -3.364
   93    H    THR  14           H        THR  14   0.207  10.449  -6.269
   94    HA   THR  14           HA       THR  14   2.168  11.035  -8.375
   95    HB   THR  14           HB       THR  14   1.765   8.717  -9.250
   96    HG1  THR  14           HG1      THR  14  -0.382   8.841  -7.880
   97   1HG2  THR  14          3HG2      THR  14   2.752   9.055  -6.393
   98   2HG2  THR  14          1HG2      THR  14   2.628   7.431  -7.109
   99   3HG2  THR  14          2HG2      THR  14   3.690   8.651  -7.850
  100    H    LYS  15           H        LYS  15   1.030  10.429 -10.616
  101    HA   LYS  15           HA       LYS  15  -1.083  12.264 -10.823
  102   1HB   LYS  15          1HB       LYS  15   0.617  11.677 -12.588
  103   2HB   LYS  15          2HB       LYS  15  -0.235  10.167 -12.840
  104   1HG   LYS  15          1HG       LYS  15  -2.289  11.356 -13.468
  105   2HG   LYS  15          2HG       LYS  15  -1.584  12.899 -13.032
  106   1HD   LYS  15          1HD       LYS  15  -0.275  11.134 -15.133
  107   2HD   LYS  15          2HD       LYS  15  -1.600  12.199 -15.558
  108   1HE   LYS  15          1HE       LYS  15   0.892  13.189 -14.104
  109   2HE   LYS  15          2HE       LYS  15   0.772  13.162 -15.852
  110   1HZ   LYS  15          1HZ       LYS  15  -1.406  14.449 -14.368
  111   2HZ   LYS  15          2HZ       LYS  15   0.002  15.259 -14.488
  112    H    GLN  16           H        GLN  16  -0.975   9.012  -9.726
  113    HA   GLN  16           HA       GLN  16  -3.849   8.822 -10.199
  114   1HB   GLN  16          1HB       GLN  16  -1.938   6.469  -9.883
  115   2HB   GLN  16          2HB       GLN  16  -3.634   6.395 -10.318
  116   1HG   GLN  16          1HG       GLN  16  -1.962   8.139 -12.074
  117   2HG   GLN  16          2HG       GLN  16  -1.568   6.433 -12.139
  118   1HE2  GLN  16          2HE2      GLN  16  -4.866   5.406 -13.248
  119   2HE2  GLN  16          1HE2      GLN  16  -3.649   4.997 -12.084
  120    HA   PRO  17           HA       PRO  17  -3.492   8.992  -5.771
  121   1HB   PRO  17          1HB       PRO  17  -5.955  10.080  -5.304
  122   2HB   PRO  17          2HB       PRO  17  -4.518  11.045  -5.579
  123   1HG   PRO  17          1HG       PRO  17  -6.773  10.512  -7.416
  124   2HG   PRO  17          2HG       PRO  17  -5.566  11.780  -7.497
  125   1HD   PRO  17          1HD       PRO  17  -5.655   9.392  -9.083
  126   2HD   PRO  17          2HD       PRO  17  -4.389  10.603  -9.083
  127    H    VAL  18           H        VAL  18  -4.576   8.000  -3.903
  128    HA   VAL  18           HA       VAL  18  -6.538   6.020  -4.728
  129    HB   VAL  18           HB       VAL  18  -3.849   5.385  -3.507
  130   1HG1  VAL  18          3HG1      VAL  18  -6.423   3.840  -3.505
  131   2HG1  VAL  18          1HG1      VAL  18  -4.882   2.963  -3.664
  132   3HG1  VAL  18          2HG1      VAL  18  -5.180   3.988  -2.239
  133   1HG2  VAL  18          2HG2      VAL  18  -5.146   4.927  -6.157
  134   2HG2  VAL  18          3HG2      VAL  18  -3.445   5.262  -5.753
  135   3HG2  VAL  18          1HG2      VAL  18  -4.113   3.630  -5.509
  136    H    VAL  19           H        VAL  19  -7.750   5.150  -2.899
  137    HA   VAL  19           HA       VAL  19  -7.449   6.840  -0.513
  138    HB   VAL  19           HB       VAL  19  -9.907   5.824  -1.938
  139   1HG1  VAL  19          1HG1      VAL  19  -9.515   6.474   0.913
  140   2HG1  VAL  19          2HG1      VAL  19 -10.870   7.331   0.138
  141   3HG1  VAL  19          3HG1      VAL  19 -10.809   5.552   0.109
  142   1HG2  VAL  19          3HG2      VAL  19  -8.480   8.189  -2.201
  143   2HG2  VAL  19          1HG2      VAL  19 -10.169   7.918  -2.695
  144   3HG2  VAL  19          2HG2      VAL  19  -9.811   8.628  -1.102
  145    H    PHE  20           H        PHE  20  -6.770   5.714   1.229
  146    HA   PHE  20           HA       PHE  20  -7.318   2.829   1.241
  147   1HB   PHE  20          1HB       PHE  20  -4.927   3.727   1.288
  148   2HB   PHE  20          2HB       PHE  20  -5.322   4.656   2.721
  149    HD1  PHE  20           HD2      PHE  20  -5.075   1.161   1.434
  150    HD2  PHE  20           HD1      PHE  20  -5.105   3.708   4.872
  151    HE1  PHE  20           HE2      PHE  20  -4.393  -0.800   2.902
  152    HE2  PHE  20           HE1      PHE  20  -4.423   1.738   6.328
  153    HZ   PHE  20           HZ       PHE  20  -4.062  -0.521   5.220
  154    H    ASN  21           H        ASN  21  -7.602   1.864   3.495
  155    HA   ASN  21           HA       ASN  21  -8.868   3.756   5.287
  156   1HB   ASN  21          1HB       ASN  21 -10.120   1.197   4.176
  157   2HB   ASN  21          2HB       ASN  21 -10.697   1.939   5.656
  158   1HD2  ASN  21          2HD2      ASN  21 -11.337   3.658   1.956
  159   2HD2  ASN  21          1HD2      ASN  21 -10.160   2.413   2.212
  160    H    HIS  22           H        HIS  22  -8.852   2.968   7.545
  161    HA   HIS  22           HA       HIS  22  -6.937   0.794   7.907
  162   1HB   HIS  22          1HB       HIS  22  -7.611   3.276   9.431
  163   2HB   HIS  22          2HB       HIS  22  -7.038   1.889  10.336
  164    HD1  HIS  22           HD1      HIS  22  -5.922   4.497   7.876
  165    HD2  HIS  22           HD2      HIS  22  -4.324   1.170   9.870
  166    HE1  HIS  22           HE1      HIS  22  -3.392   4.622   7.562
  167    H    SER  23           H        SER  23 -10.283   1.663   8.180
  168    HA   SER  23           HA       SER  23 -10.826  -0.152  10.304
  169   1HB   SER  23          1HB       SER  23 -12.161   1.945   9.813
  170   2HB   SER  23          2HB       SER  23 -12.765   1.174   8.359
  171    HG   SER  23           HG       SER  23 -13.708   0.943  10.883
  172    H    THR  24           H        THR  24  -9.924  -0.570   7.113
  173    HA   THR  24           HA       THR  24 -11.683  -2.888   6.708
  174    HB   THR  24           HB       THR  24  -9.941  -1.202   4.838
  175    HG1  THR  24           HG1      THR  24 -12.783  -1.776   5.292
  176   1HG2  THR  24          1HG2      THR  24 -11.198  -3.889   4.503
  177   2HG2  THR  24          2HG2      THR  24 -11.656  -2.698   3.263
  178   3HG2  THR  24          3HG2      THR  24  -9.941  -3.101   3.520
  179    H    HIS  25           H        HIS  25  -8.315  -1.852   7.196
  180    HA   HIS  25           HA       HIS  25  -7.499  -4.636   6.892
  181   1HB   HIS  25          1HB       HIS  25  -5.837  -2.109   7.096
  182   2HB   HIS  25          2HB       HIS  25  -5.202  -3.728   6.878
  183    HD1  HIS  25           HD1      HIS  25  -7.357  -1.159   5.057
  184    HD2  HIS  25           HD2      HIS  25  -5.106  -4.608   4.259
  185    HE1  HIS  25           HE1      HIS  25  -7.268  -1.383   2.517
  186    H    LYS  26           H        LYS  26  -9.159  -3.879   9.131
  187    HA   LYS  26           HA       LYS  26  -7.569  -3.329  11.394
  188   1HB   LYS  26          1HB       LYS  26 -10.303  -4.633  11.247
  189   2HB   LYS  26          2HB       LYS  26  -9.578  -3.888  12.657
  190   1HG   LYS  26          1HG       LYS  26  -9.520  -1.690  11.504
  191   2HG   LYS  26          2HG       LYS  26 -10.157  -2.417  10.042
  192   1HD   LYS  26          1HD       LYS  26 -12.100  -1.529  11.027
  193   2HD   LYS  26          2HD       LYS  26 -12.158  -3.199  11.556
  194   1HE   LYS  26          1HE       LYS  26 -10.585  -1.920  13.521
  195   2HE   LYS  26          2HE       LYS  26 -11.838  -0.751  13.157
  196   1HZ   LYS  26          1HZ       LYS  26 -13.357  -2.045  14.176
  197   2HZ   LYS  26          2HZ       LYS  26 -12.906  -3.396  13.387
  198    H    SER  27           H        SER  27  -8.758  -6.351   9.828
  199    HA   SER  27           HA       SER  27  -7.763  -8.008  11.851
  200   1HB   SER  27          1HB       SER  27  -8.319  -9.828  10.379
  201   2HB   SER  27          2HB       SER  27  -9.545  -8.599  10.146
  202    HG   SER  27           HG       SER  27  -8.129  -7.844   8.286
  203    H    VAL  28           H        VAL  28  -6.223  -6.119   9.442
  204    HA   VAL  28           HA       VAL  28  -4.001  -7.939   9.073
  205    HB   VAL  28           HB       VAL  28  -4.434  -5.103   8.114
  206   1HG1  VAL  28          2HG1      VAL  28  -2.070  -5.841   8.133
  207   2HG1  VAL  28          3HG1      VAL  28  -2.514  -7.240   7.126
  208   3HG1  VAL  28          1HG1      VAL  28  -2.691  -5.589   6.484
  209   1HG2  VAL  28          1HG2      VAL  28  -5.547  -7.666   7.215
  210   2HG2  VAL  28          2HG2      VAL  28  -6.040  -6.001   6.827
  211   3HG2  VAL  28          3HG2      VAL  28  -4.710  -6.768   5.926
  212    H    LYS  29           H        LYS  29  -1.954  -7.710   9.989
  213    HA   LYS  29           HA       LYS  29  -1.887  -6.304  12.455
  214   1HB   LYS  29          1HB       LYS  29  -0.422  -8.390  11.147
  215   2HB   LYS  29          2HB       LYS  29   0.717  -7.162  11.664
  216   1HG   LYS  29          1HG       LYS  29   0.551  -8.448  13.610
  217   2HG   LYS  29          2HG       LYS  29  -0.650  -7.214  13.933
  218   1HD   LYS  29          1HD       LYS  29  -2.366  -8.834  12.828
  219   2HD   LYS  29          2HD       LYS  29  -1.121 -10.061  12.963
  220   1HE   LYS  29          1HE       LYS  29  -2.241 -10.375  14.990
  221   2HE   LYS  29          2HE       LYS  29  -0.989  -9.258  15.495
  222   1HZ   LYS  29          1HZ       LYS  29  -3.193  -7.785  14.520
  223   2HZ   LYS  29          2HZ       LYS  29  -3.741  -8.850  15.624
  224    H    CYS  30           H        CYS  30  -0.989  -4.339  12.976
  225    HA   CYS  30           HA       CYS  30  -0.724  -2.446  10.991
  226   1HB   CYS  30          1HB       CYS  30   0.653  -2.222  13.658
  227   2HB   CYS  30          2HB       CYS  30  -0.034  -0.949  12.669
  228    H    GLY  31           H        GLY  31   1.542  -4.802  12.373
  229   1HA   GLY  31          1HA       GLY  31   3.916  -3.525  11.361
  230   2HA   GLY  31          2HA       GLY  31   3.777  -5.110  12.097
  231    H    ASP  32           H        ASP  32   1.327  -5.121   9.861
  232    HA   ASP  32           HA       ASP  32   2.859  -6.730   8.103
  233   1HB   ASP  32          1HB       ASP  32   0.386  -7.031   8.804
  234   2HB   ASP  32          2HB       ASP  32   0.010  -5.725   7.698
  235    H    CYS  33           H        CYS  33   1.459  -3.438   8.206
  236    HA   CYS  33           HA       CYS  33   2.330  -2.996   5.453
  237   1HB   CYS  33          1HB       CYS  33   0.186  -1.814   7.157
  238   2HB   CYS  33          2HB       CYS  33   0.991  -0.733   6.037
  239    H    HIS  34           H        HIS  34   2.276  -1.458   8.755
  240    HA   HIS  34           HA       HIS  34   4.362   0.343   8.033
  241   1HB   HIS  34          1HB       HIS  34   3.115  -0.308  10.719
  242   2HB   HIS  34          2HB       HIS  34   4.238   1.004  10.423
  243    HD1  HIS  34           HD1      HIS  34   3.368   3.006   8.878
  244    HD2  HIS  34           HD2      HIS  34   0.465   0.198  10.015
  245    HE1  HIS  34           HE1      HIS  34   1.105   4.086   8.407
  246    H    HIS  35           H        HIS  35   5.514  -1.883   7.263
  247    HA   HIS  35           HA       HIS  35   6.632  -3.657   8.903
  248   1HB   HIS  35          1HB       HIS  35   8.496  -3.802   7.337
  249   2HB   HIS  35          2HB       HIS  35   6.966  -3.634   6.498
  250    HD1  HIS  35           HD1      HIS  35   9.820  -1.340   7.656
  251    HD2  HIS  35           HD2      HIS  35   7.011  -1.709   4.563
  252    HE1  HIS  35           HE1      HIS  35  10.331   0.533   5.999
  253    HA   PRO  36           HA       PRO  36   9.194  -1.547  11.678
  254   1HB   PRO  36          1HB       PRO  36  10.870  -3.553  12.475
  255   2HB   PRO  36          2HB       PRO  36   9.249  -3.350  13.109
  256   1HG   PRO  36          1HG       PRO  36  10.243  -5.344  11.165
  257   2HG   PRO  36          2HG       PRO  36   8.774  -5.379  12.120
  258   1HD   PRO  36          1HD       PRO  36   8.992  -4.750   9.330
  259   2HD   PRO  36          2HD       PRO  36   7.542  -4.673  10.312
  260    H    VAL  37           H        VAL  37  10.564   0.052  11.250
  261    HA   VAL  37           HA       VAL  37  12.707  -0.662   9.386
  262    HB   VAL  37           HB       VAL  37  11.373   1.936  10.137
  263   1HG1  VAL  37          1HG1      VAL  37  13.855   1.532   8.433
  264   2HG1  VAL  37          2HG1      VAL  37  12.928   3.047   8.555
  265   3HG1  VAL  37          3HG1      VAL  37  13.757   2.393   9.988
  266   1HG2  VAL  37          2HG2      VAL  37  10.245   0.460   8.478
  267   2HG2  VAL  37          3HG2      VAL  37  10.747   2.027   7.799
  268   3HG2  VAL  37          1HG2      VAL  37  11.694   0.561   7.449
  269    H    ASN  38           H        ASN  38  14.625  -1.158  10.304
  270    HA   ASN  38           HA       ASN  38  16.455  -0.789  11.474
  271   1HB   ASN  38          1HB       ASN  38  15.255   1.667  11.886
  272   2HB   ASN  38          2HB       ASN  38  15.290   1.058  13.528
  273   1HD2  ASN  38          2HD2      ASN  38  18.668   1.573  14.066
  274   2HD2  ASN  38          1HD2      ASN  38  17.098   1.147  14.662
  275    H    GLY  39           H        GLY  39  13.378  -1.766  12.473
  276   1HA   GLY  39          1HA       GLY  39  13.197  -3.711  13.842
  277   2HA   GLY  39          2HA       GLY  39  14.471  -3.092  14.874
  278    H    LYS  40           H        LYS  40  12.642  -0.412  13.996
  279    HA   LYS  40           HA       LYS  40  11.044  -0.664  16.444
  280   1HB   LYS  40          1HB       LYS  40  11.313   1.618  16.818
  281   2HB   LYS  40          2HB       LYS  40  12.890   1.111  16.248
  282   1HG   LYS  40          1HG       LYS  40  12.358   1.904  13.961
  283   2HG   LYS  40          2HG       LYS  40  10.731   2.325  14.459
  284   1HD   LYS  40          1HD       LYS  40  11.549   4.058  15.964
  285   2HD   LYS  40          2HD       LYS  40  13.208   3.526  15.774
  286   1HE   LYS  40          1HE       LYS  40  12.205   4.030  13.133
  287   2HE   LYS  40          2HE       LYS  40  11.699   5.383  14.126
  288   1HZ   LYS  40          1HZ       LYS  40  13.868   5.905  13.381
  289   2HZ   LYS  40          2HZ       LYS  40  14.104   5.437  14.923
  290    H    GLU  41           H        GLU  41   8.828  -0.112  16.412
  291    HA   GLU  41           HA       GLU  41   7.752  -0.117  13.711
  292   1HB   GLU  41          1HB       GLU  41   6.960  -1.360  16.262
  293   2HB   GLU  41          2HB       GLU  41   5.622  -0.538  15.483
  294   1HG   GLU  41          1HG       GLU  41   5.999  -1.795  13.396
  295   2HG   GLU  41          2HG       GLU  41   7.447  -2.530  14.057
  296    H    ASP  42           H        ASP  42   6.389   1.533  12.976
  297    HA   ASP  42           HA       ASP  42   5.529   3.484  14.912
  298   1HB   ASP  42          1HB       ASP  42   7.813   3.895  13.235
  299   2HB   ASP  42          2HB       ASP  42   6.526   4.866  12.548
  300    H    TYR  43           H        TYR  43   3.976   5.115  13.752
  301    HA   TYR  43           HA       TYR  43   2.709   3.779  11.454
  302   1HB   TYR  43          1HB       TYR  43   1.522   5.497  13.722
  303   2HB   TYR  43          2HB       TYR  43   0.589   4.673  12.488
  304    HD1  TYR  43           HD1      TYR  43   2.483   2.112  12.668
  305    HD2  TYR  43           HD2      TYR  43   0.253   4.403  15.511
  306    HE1  TYR  43           HE1      TYR  43   2.297   0.073  14.176
  307    HE2  TYR  43           HE2      TYR  43   0.074   2.357  17.009
  308    HH   TYR  43           HH       TYR  43   0.705  -0.722  15.937
  309    H    ARG  44           H        ARG  44   4.104   5.138  10.064
  310    HA   ARG  44           HA       ARG  44   3.115   7.877  10.050
  311   1HB   ARG  44          1HB       ARG  44   5.812   6.909  10.173
  312   2HB   ARG  44          2HB       ARG  44   5.606   7.577   8.566
  313   1HG   ARG  44          1HG       ARG  44   5.219   9.742   9.352
  314   2HG   ARG  44          2HG       ARG  44   4.523   9.191  10.863
  315   1HD   ARG  44          1HD       ARG  44   6.684   8.692  11.806
  316   2HD   ARG  44          2HD       ARG  44   7.475   8.768  10.245
  317    HE   ARG  44           HE       ARG  44   7.441  11.142  10.336
  318   1HH1  ARG  44          2HH2      ARG  44   5.647   9.762  13.062
  319   2HH1  ARG  44          1HH2      ARG  44   5.568  11.260  13.928
  320    HH2  ARG  44           HH1      ARG  44   6.568  13.220  12.979
  321    H    LYS  45           H        LYS  45   3.795   8.799   7.591
  322    HA   LYS  45           HA       LYS  45   2.188   7.155   5.858
  323   1HB   LYS  45          1HB       LYS  45   3.476   9.873   5.470
  324   2HB   LYS  45          2HB       LYS  45   2.427   9.091   4.305
  325   1HG   LYS  45          1HG       LYS  45   0.888  10.413   5.475
  326   2HG   LYS  45          2HG       LYS  45   0.737   8.890   6.328
  327   1HD   LYS  45          1HD       LYS  45   1.710   9.708   8.249
  328   2HD   LYS  45          2HD       LYS  45   2.886  10.667   7.373
  329   1HE   LYS  45          1HE       LYS  45   1.264  12.427   6.941
  330   2HE   LYS  45          2HE       LYS  45  -0.065  11.428   7.494
  331   1HZ   LYS  45          1HZ       LYS  45   2.063  11.829   9.435
  332   2HZ   LYS  45          2HZ       LYS  45   1.204  13.165   9.075
  333    H    CYS  46           H        CYS  46   2.871   5.951   4.111
  334    HA   CYS  46           HA       CYS  46   5.486   5.027   4.136
  335   1HB   CYS  46          1HB       CYS  46   3.782   4.860   1.675
  336   2HB   CYS  46          2HB       CYS  46   4.901   3.684   2.336
  337    H    GLY  47           H        GLY  47   3.748   7.379   1.985
  338   1HA   GLY  47          1HA       GLY  47   6.074   7.979   0.429
  339   2HA   GLY  47          2HA       GLY  47   4.529   8.806   0.411
  340    H    THR  48           H        THR  48   7.044   8.229   2.981
  341    HA   THR  48           HA       THR  48   6.831  11.067   3.669
  342    HB   THR  48           HB       THR  48   7.603   8.500   5.070
  343    HG1  THR  48           HG1      THR  48   6.223  11.007   5.728
  344   1HG2  THR  48          2HG2      THR  48   8.424  11.325   5.931
  345   2HG2  THR  48          3HG2      THR  48   8.462   9.888   6.982
  346   3HG2  THR  48          1HG2      THR  48   9.538   9.985   5.566
  347    H    ALA  49           H        ALA  49   8.427  12.527   3.365
  348    HA   ALA  49           HA       ALA  49  10.411  12.022   1.516
  349   1HB   ALA  49          1HB       ALA  49   9.684  14.164   3.442
  350   2HB   ALA  49          2HB       ALA  49  11.381  14.161   2.907
  351   3HB   ALA  49          3HB       ALA  49  10.069  14.267   1.708
  352    H    GLY  50           H        GLY  50  11.988  10.502   1.711
  353   1HA   GLY  50          1HA       GLY  50  14.198  10.235   2.708
  354   2HA   GLY  50          2HA       GLY  50  13.452  10.424   4.283
  355    H    CYS  51           H        CYS  51  11.031   8.832   2.879
  356    HA   CYS  51           HA       CYS  51  12.176   6.236   3.578
  357   1HB   CYS  51          1HB       CYS  51   9.312   7.231   3.609
  358   2HB   CYS  51          2HB       CYS  51   9.750   5.548   3.826
  359    H    HIS  52           H        HIS  52   9.143   6.685   1.773
  360    HA   HIS  52           HA       HIS  52  10.444   5.425  -0.519
  361   1HB   HIS  52          1HB       HIS  52   7.561   5.470   0.403
  362   2HB   HIS  52          2HB       HIS  52   8.062   4.846  -1.156
  363    HD1  HIS  52           HD1      HIS  52   9.974   2.822  -0.970
  364    HD2  HIS  52           HD2      HIS  52   7.600   3.599   2.399
  365    HE1  HIS  52           HE1      HIS  52  10.133   0.749   0.510
  366    H    ASP  53           H        ASP  53  11.330   7.719  -0.893
  367    HA   ASP  53           HA       ASP  53   9.339   9.127  -2.485
  368   1HB   ASP  53          1HB       ASP  53  10.176  10.184  -0.180
  369   2HB   ASP  53          2HB       ASP  53  11.599  10.601  -1.112
  370    H    SER  54           H        SER  54  10.378   7.778  -4.249
  371    HA   SER  54           HA       SER  54  13.050   8.755  -4.889
  372   1HB   SER  54          1HB       SER  54  13.570   6.685  -5.833
  373   2HB   SER  54          2HB       SER  54  12.526   6.201  -4.512
  374    HG   SER  54           HG       SER  54  11.937   5.150  -6.511
  375    H    MET  55           H        MET  55   9.675   8.474  -5.867
  376    HA   MET  55           HA       MET  55   8.547   9.155  -7.598
  377   1HB   MET  55          1HB       MET  55  10.612  11.175  -7.076
  378   2HB   MET  55          2HB       MET  55  10.203  11.177  -8.780
  379   1HG   MET  55          1HG       MET  55   8.604  12.668  -7.906
  380   2HG   MET  55          2HG       MET  55   7.700  11.167  -7.947
  381   1HE   MET  55          2HE       MET  55   6.465  10.302  -6.089
  382   2HE   MET  55          3HE       MET  55   7.955   9.408  -5.700
  383   3HE   MET  55          1HE       MET  55   7.045  10.227  -4.407
  384    H    ASP  56           H        ASP  56  10.354   6.932  -8.084
  385    HA   ASP  56           HA       ASP  56  10.785   7.386 -10.928
  386   1HB   ASP  56          1HB       ASP  56  12.505   5.676  -9.071
  387   2HB   ASP  56          2HB       ASP  56  12.745   5.846 -10.798
  388    H    LYS  57           H        LYS  57   8.529   6.415 -11.009
  389    HA   LYS  57           HA       LYS  57   7.661   4.121  -9.939
  390   1HB   LYS  57          1HB       LYS  57   6.250   5.468 -11.326
  391   2HB   LYS  57          2HB       LYS  57   7.254   5.201 -12.736
  392   1HG   LYS  57          1HG       LYS  57   6.449   2.636 -11.599
  393   2HG   LYS  57          2HG       LYS  57   5.035   3.635 -11.868
  394   1HD   LYS  57          1HD       LYS  57   7.116   3.481 -14.053
  395   2HD   LYS  57          2HD       LYS  57   6.050   2.110 -13.824
  396   1HE   LYS  57          1HE       LYS  57   4.061   3.591 -14.063
  397   2HE   LYS  57          2HE       LYS  57   5.104   4.989 -14.233
  398   1HZ   LYS  57          1HZ       LYS  57   4.652   4.353 -16.425
  399   2HZ   LYS  57          2HZ       LYS  57   6.111   3.669 -16.192
  400    H    LYS  58           H        LYS  58   9.540   4.308 -13.046
  401    HA   LYS  58           HA       LYS  58   9.907   1.459 -12.997
  402   1HB   LYS  58          1HB       LYS  58   9.957   3.521 -14.945
  403   2HB   LYS  58          2HB       LYS  58  11.563   2.820 -14.922
  404   1HG   LYS  58          1HG       LYS  58   9.152   0.986 -14.901
  405   2HG   LYS  58          2HG       LYS  58   9.645   1.732 -16.409
  406   1HD   LYS  58          1HD       LYS  58  11.769   0.394 -14.732
  407   2HD   LYS  58          2HD       LYS  58  10.651  -0.630 -15.611
  408   1HE   LYS  58          1HE       LYS  58  12.080   1.662 -17.009
  409   2HE   LYS  58          2HE       LYS  58  12.870   0.112 -16.799
  410   1HZ   LYS  58          1HZ       LYS  58  11.068   0.753 -18.782
  411   2HZ   LYS  58          2HZ       LYS  58  11.629  -0.739 -18.453
  412    H    ASP  59           H        ASP  59  10.863   1.705 -10.697
  413    HA   ASP  59           HA       ASP  59  13.731   1.846 -11.073
  414   1HB   ASP  59          1HB       ASP  59  13.026   4.007 -10.061
  415   2HB   ASP  59          2HB       ASP  59  12.181   3.151  -8.787
  416    H    LYS  60           H        LYS  60  11.063   1.274  -8.646
  417    HA   LYS  60           HA       LYS  60  10.619  -0.413  -7.294
  418   1HB   LYS  60          1HB       LYS  60  12.483  -2.117  -8.967
  419   2HB   LYS  60          2HB       LYS  60  11.191  -2.669  -7.921
  420   1HG   LYS  60          1HG       LYS  60   9.826  -2.584  -9.734
  421   2HG   LYS  60          2HG       LYS  60   9.898  -0.838  -9.608
  422   1HD   LYS  60          1HD       LYS  60  11.305  -0.628 -11.412
  423   2HD   LYS  60          2HD       LYS  60  12.259  -2.028 -10.962
  424   1HE   LYS  60          1HE       LYS  60  10.384  -3.519 -11.783
  425   2HE   LYS  60          2HE       LYS  60   9.520  -2.091 -12.317
  426   1HZ   LYS  60          1HZ       LYS  60  11.460  -3.448 -13.739
  427   2HZ   LYS  60          2HZ       LYS  60  10.797  -2.019 -14.151
  428    H    SER  61           H        SER  61  12.703  -2.607  -6.677
  429    HA   SER  61           HA       SER  61  14.536  -2.888  -5.483
  430   1HB   SER  61          1HB       SER  61  15.238  -0.520  -6.527
  431   2HB   SER  61          2HB       SER  61  14.951   0.038  -4.891
  432    HG   SER  61           HG       SER  61  17.084  -1.387  -5.892
  433    H    ALA  62           H        ALA  62  13.153   0.208  -4.149
  434    HA   ALA  62           HA       ALA  62  11.616  -1.027  -2.174
  435   1HB   ALA  62          3HB       ALA  62  14.166  -1.484  -1.526
  436   2HB   ALA  62          1HB       ALA  62  14.050   0.175  -0.894
  437   3HB   ALA  62          2HB       ALA  62  12.950  -1.086  -0.289
  438    H    LYS  63           H        LYS  63  13.786   1.760  -2.961
  439    HA   LYS  63           HA       LYS  63  12.234   3.651  -1.576
  440   1HB   LYS  63          1HB       LYS  63  14.307   3.866  -3.767
  441   2HB   LYS  63          2HB       LYS  63  13.534   5.271  -3.062
  442   1HG   LYS  63          1HG       LYS  63  14.480   3.398  -0.994
  443   2HG   LYS  63          2HG       LYS  63  15.784   3.913  -2.046
  444   1HD   LYS  63          1HD       LYS  63  14.858   6.335  -1.686
  445   2HD   LYS  63          2HD       LYS  63  13.949   5.651  -0.353
  446   1HE   LYS  63          1HE       LYS  63  16.062   4.819   0.680
  447   2HE   LYS  63          2HE       LYS  63  16.984   5.456  -0.668
  448   1HZ   LYS  63          1HZ       LYS  63  16.678   6.892   1.466
  449   2HZ   LYS  63          2HZ       LYS  63  16.600   7.630   0.016
  450    H    GLY  64           H        GLY  64  11.591   1.803  -4.376
  451   1HA   GLY  64          1HA       GLY  64  10.186   3.705  -5.938
  452   2HA   GLY  64          2HA       GLY  64  10.072   1.959  -6.031
  453    H    TYR  65           H        TYR  65   8.730   4.913  -4.604
  454    HA   TYR  65           HA       TYR  65   7.024   3.875  -2.716
  455   1HB   TYR  65          1HB       TYR  65   7.436   6.293  -3.177
  456   2HB   TYR  65          2HB       TYR  65   6.804   6.127  -4.803
  457    HD1  TYR  65           HD1      TYR  65   5.830   6.021  -1.209
  458    HD2  TYR  65           HD2      TYR  65   4.495   6.420  -5.254
  459    HE1  TYR  65           HE1      TYR  65   3.518   6.690  -0.388
  460    HE2  TYR  65           HE2      TYR  65   2.188   7.088  -4.419
  461    HH   TYR  65           HH       TYR  65   1.490   8.261  -1.803
  462    H    TYR  66           H        TYR  66   6.694   3.990  -6.290
  463    HA   TYR  66           HA       TYR  66   3.984   2.993  -6.143
  464   1HB   TYR  66          1HB       TYR  66   4.440   4.502  -7.960
  465   2HB   TYR  66          2HB       TYR  66   6.063   3.882  -8.183
  466    HD1  TYR  66           HD1      TYR  66   6.345   1.567  -9.249
  467    HD2  TYR  66           HD2      TYR  66   2.646   3.716  -9.288
  468    HE1  TYR  66           HE1      TYR  66   5.525   0.136 -11.184
  469    HE2  TYR  66           HE2      TYR  66   1.839   2.277 -11.222
  470    HH   TYR  66           HH       TYR  66   2.470  -0.204 -12.004
  471    H    HIS  67           H        HIS  67   6.944   1.588  -5.609
  472    HA   HIS  67           HA       HIS  67   6.300  -0.822  -7.116
  473   1HB   HIS  67          1HB       HIS  67   8.495  -0.542  -7.547
  474   2HB   HIS  67          2HB       HIS  67   8.770   0.442  -6.123
  475    HD1  HIS  67           HD1      HIS  67   9.161  -2.993  -7.434
  476    HD2  HIS  67           HD2      HIS  67   9.209  -1.108  -3.687
  477    HE1  HIS  67           HE1      HIS  67  10.236  -4.647  -5.815
  478    H    VAL  68           H        VAL  68   6.420   0.590  -3.877
  479    HA   VAL  68           HA       VAL  68   6.134  -2.008  -2.627
  480    HB   VAL  68           HB       VAL  68   5.956  -0.495  -0.563
  481   1HG1  VAL  68          1HG1      VAL  68   7.998  -1.784  -1.498
  482   2HG1  VAL  68          2HG1      VAL  68   8.572  -0.188  -2.036
  483   3HG1  VAL  68          3HG1      VAL  68   8.283  -0.493  -0.307
  484   1HG2  VAL  68          3HG2      VAL  68   5.573   1.524  -2.297
  485   2HG2  VAL  68          1HG2      VAL  68   6.302   1.752  -0.690
  486   3HG2  VAL  68          2HG2      VAL  68   7.342   1.626  -2.129
  487    H    MET  69           H        MET  69   4.134  -0.371  -4.525
  488    HA   MET  69           HA       MET  69   1.863  -0.778  -2.734
  489   1HB   MET  69          1HB       MET  69   2.027   1.092  -5.160
  490   2HB   MET  69          2HB       MET  69   0.713   1.013  -4.003
  491   1HG   MET  69          1HG       MET  69   3.505   1.595  -2.989
  492   2HG   MET  69          2HG       MET  69   2.612   2.879  -3.780
  493   1HE   MET  69          1HE       MET  69   3.608   3.287  -1.135
  494   2HE   MET  69          2HE       MET  69   2.485   3.171   0.242
  495   3HE   MET  69          3HE       MET  69   3.397   1.737  -0.287
  496    H    HIS  70           H        HIS  70   3.534  -1.840  -5.524
  497    HA   HIS  70           HA       HIS  70   1.173  -3.356  -6.320
  498   1HB   HIS  70          1HB       HIS  70   3.077  -2.187  -8.352
  499   2HB   HIS  70          2HB       HIS  70   1.544  -2.985  -8.639
  500    HD1  HIS  70           HD1      HIS  70   2.900   0.234  -7.085
  501    HD2  HIS  70           HD2      HIS  70  -0.629  -1.297  -8.757
  502    HE1  HIS  70           HE1      HIS  70   1.285   2.201  -7.270
  503    H    ASP  71           H        ASP  71   4.724  -2.944  -7.012
  504    HA   ASP  71           HA       ASP  71   5.384  -5.329  -7.851
  505   1HB   ASP  71          1HB       ASP  71   6.807  -3.251  -6.917
  506   2HB   ASP  71          2HB       ASP  71   6.997  -4.289  -5.517
  507    H    LYS  72           H        LYS  72   5.323  -7.473  -7.098
  508    HA   LYS  72           HA       LYS  72   4.425  -7.836  -4.340
  509   1HB   LYS  72          1HB       LYS  72   4.456  -9.998  -6.430
  510   2HB   LYS  72          2HB       LYS  72   3.431  -9.835  -5.018
  511   1HG   LYS  72          1HG       LYS  72   2.362  -7.802  -6.073
  512   2HG   LYS  72          2HG       LYS  72   3.338  -8.062  -7.505
  513   1HD   LYS  72          1HD       LYS  72   1.699 -10.377  -6.478
  514   2HD   LYS  72          2HD       LYS  72   0.854  -9.072  -7.286
  515   1HE   LYS  72          1HE       LYS  72   1.436 -10.009  -9.270
  516   2HE   LYS  72          2HE       LYS  72   3.099  -9.572  -8.934
  517   1HZ   LYS  72          1HZ       LYS  72   3.600 -11.705  -8.381
  518   2HZ   LYS  72          2HZ       LYS  72   2.203 -11.980  -7.591
  519    H    ASN  73           H        ASN  73   7.115  -8.325  -6.566
  520    HA   ASN  73           HA       ASN  73   8.352 -10.302  -4.967
  521   1HB   ASN  73          1HB       ASN  73   9.568  -8.457  -7.092
  522   2HB   ASN  73          2HB       ASN  73  10.307  -9.922  -6.477
  523   1HD2  ASN  73          2HD2      ASN  73   8.463 -12.182  -8.393
  524   2HD2  ASN  73          1HD2      ASN  73   9.575 -11.916  -7.092
  525    H    THR  74           H        THR  74   7.896  -8.699  -2.975
  526    HA   THR  74           HA       THR  74  10.318  -7.062  -2.627
  527    HB   THR  74           HB       THR  74   8.829  -5.489  -1.317
  528    HG1  THR  74           HG1      THR  74   6.671  -6.103  -1.156
  529   1HG2  THR  74          2HG2      THR  74   9.180  -5.280  -3.917
  530   2HG2  THR  74          3HG2      THR  74   7.534  -5.948  -4.034
  531   3HG2  THR  74          1HG2      THR  74   7.812  -4.407  -3.188
  532    H    LYS  75           H        LYS  75  11.060  -6.845  -0.401
  533    HA   LYS  75           HA       LYS  75  11.038  -9.344   0.885
  534   1HB   LYS  75          1HB       LYS  75  12.981  -7.970   1.025
  535   2HB   LYS  75          2HB       LYS  75  12.076  -6.611   1.660
  536   1HG   LYS  75          1HG       LYS  75  11.613  -7.810   3.749
  537   2HG   LYS  75          2HG       LYS  75  12.304  -9.288   3.110
  538   1HD   LYS  75          1HD       LYS  75  14.505  -7.938   2.806
  539   2HD   LYS  75          2HD       LYS  75  13.760  -6.705   3.803
  540   1HE   LYS  75          1HE       LYS  75  15.068  -8.135   5.268
  541   2HE   LYS  75          2HE       LYS  75  13.377  -8.450   5.600
  542   1HZ   LYS  75          1HZ       LYS  75  14.919 -10.453   5.226
  543   2HZ   LYS  75          2HZ       LYS  75  13.481 -10.488   4.464
  544    H    PHE  76           H        PHE  76   8.951  -6.526   1.028
  545    HA   PHE  76           HA       PHE  76   7.637  -7.702   3.385
  546   1HB   PHE  76          1HB       PHE  76   7.879  -4.851   2.241
  547   2HB   PHE  76          2HB       PHE  76   6.800  -5.240   3.567
  548    HD1  PHE  76           HD2      PHE  76   8.077  -6.632   5.549
  549    HD2  PHE  76           HD1      PHE  76   9.903  -3.891   2.818
  550    HE1  PHE  76           HE2      PHE  76   9.973  -6.241   7.198
  551    HE2  PHE  76           HE1      PHE  76  11.793  -3.510   4.476
  552    HZ   PHE  76           HZ       PHE  76  11.747  -4.777   6.679
  553    H    LYS  77           H        LYS  77   5.249  -7.450   3.453
  554    HA   LYS  77           HA       LYS  77   4.117  -8.256   1.003
  555   1HB   LYS  77          1HB       LYS  77   3.073  -7.631   3.752
  556   2HB   LYS  77          2HB       LYS  77   1.947  -7.854   2.428
  557   1HG   LYS  77          1HG       LYS  77   3.121 -10.066   1.911
  558   2HG   LYS  77          2HG       LYS  77   4.055  -9.849   3.378
  559   1HD   LYS  77          1HD       LYS  77   2.326 -10.529   4.695
  560   2HD   LYS  77          2HD       LYS  77   1.198  -9.448   3.901
  561   1HE   LYS  77          1HE       LYS  77   0.447 -11.744   3.540
  562   2HE   LYS  77          2HE       LYS  77   0.987 -11.093   2.005
  563   1HZ   LYS  77          1HZ       LYS  77   2.605 -12.851   3.772
  564   2HZ   LYS  77          2HZ       LYS  77   1.916 -13.298   2.366
  565    H    SER  78           H        SER  78   3.368  -7.080  -0.678
  566    HA   SER  78           HA       SER  78   3.254  -4.218  -0.268
  567   1HB   SER  78          1HB       SER  78   3.557  -3.989  -2.605
  568   2HB   SER  78          2HB       SER  78   4.566  -5.358  -2.181
  569    HG   SER  78           HG       SER  78   3.415  -6.038  -3.966
  570    H    CYS  79           H        CYS  79   1.401  -2.981  -1.272
  571    HA   CYS  79           HA       CYS  79  -0.997  -3.689  -0.315
  572   1HB   CYS  79          1HB       CYS  79  -0.578  -2.177  -2.901
  573   2HB   CYS  79          2HB       CYS  79  -2.003  -2.123  -1.883
  574    H    VAL  80           H        VAL  80  -0.129  -3.995  -3.845
  575    HA   VAL  80           HA       VAL  80  -2.276  -5.711  -4.403
  576    HB   VAL  80           HB       VAL  80   0.324  -5.181  -5.852
  577   1HG1  VAL  80          1HG1      VAL  80  -1.711  -7.147  -6.367
  578   2HG1  VAL  80          2HG1      VAL  80  -1.732  -5.923  -7.660
  579   3HG1  VAL  80          3HG1      VAL  80  -0.227  -6.796  -7.285
  580   1HG2  VAL  80          2HG2      VAL  80  -1.466  -3.312  -5.345
  581   2HG2  VAL  80          3HG2      VAL  80  -0.712  -3.437  -6.953
  582   3HG2  VAL  80          1HG2      VAL  80  -2.346  -4.090  -6.682
  583    H    GLY  81           H        GLY  81   1.143  -6.247  -3.444
  584   1HA   GLY  81          1HA       GLY  81   1.453  -8.913  -3.977
  585   2HA   GLY  81          2HA       GLY  81   2.151  -8.076  -2.605
  586    H    CYS  82           H        CYS  82   0.232  -7.508  -0.844
  587    HA   CYS  82           HA       CYS  82  -0.445  -9.993   0.217
  588   1HB   CYS  82          1HB       CYS  82  -0.073  -7.970   1.581
  589   2HB   CYS  82          2HB       CYS  82  -1.532  -7.249   0.931
  590    H    HIS  83           H        HIS  83  -2.305  -7.452  -1.570
  591    HA   HIS  83           HA       HIS  83  -4.807  -8.543  -1.349
  592   1HB   HIS  83          1HB       HIS  83  -3.449  -6.846  -3.426
  593   2HB   HIS  83          2HB       HIS  83  -5.081  -7.420  -3.704
  594    HD1  HIS  83           HD1      HIS  83  -6.032  -4.993  -3.556
  595    HD2  HIS  83           HD2      HIS  83  -4.138  -6.326  -0.058
  596    HE1  HIS  83           HE1      HIS  83  -6.657  -3.328  -1.726
  597    H    VAL  84           H        VAL  84  -2.159  -9.308  -3.677
  598    HA   VAL  84           HA       VAL  84  -3.603 -11.009  -5.316
  599    HB   VAL  84           HB       VAL  84  -0.690 -11.059  -4.506
  600   1HG1  VAL  84          2HG1      VAL  84  -1.758 -13.144  -5.669
  601   2HG1  VAL  84          3HG1      VAL  84  -1.743 -12.114  -7.120
  602   3HG1  VAL  84          1HG1      VAL  84  -0.221 -12.485  -6.277
  603   1HG2  VAL  84          2HG2      VAL  84  -2.181  -9.131  -5.948
  604   2HG2  VAL  84          3HG2      VAL  84  -0.414  -9.233  -5.757
  605   3HG2  VAL  84          1HG2      VAL  84  -1.206 -10.019  -7.144
  606    H    GLU  85           H        GLU  85  -2.056 -11.528  -2.125
  607    HA   GLU  85           HA       GLU  85  -2.444 -14.325  -2.224
  608   1HB   GLU  85          1HB       GLU  85  -1.357 -12.328  -0.327
  609   2HB   GLU  85          2HB       GLU  85  -2.149 -13.675   0.465
  610   1HG   GLU  85          1HG       GLU  85  -0.533 -14.696  -1.720
  611   2HG   GLU  85          2HG       GLU  85   0.452 -13.624  -0.745
  612    H    VAL  86           H        VAL  86  -4.290 -11.498  -1.075
  613    HA   VAL  86           HA       VAL  86  -6.166 -13.056   0.406
  614    HB   VAL  86           HB       VAL  86  -6.250 -10.210  -0.614
  615   1HG1  VAL  86          3HG1      VAL  86  -8.348 -11.740   0.413
  616   2HG1  VAL  86          1HG1      VAL  86  -7.780 -10.781   1.800
  617   3HG1  VAL  86          2HG1      VAL  86  -8.278  -9.965   0.298
  618   1HG2  VAL  86          1HG2      VAL  86  -4.359 -10.926   0.983
  619   2HG2  VAL  86          2HG2      VAL  86  -5.341  -9.513   1.437
  620   3HG2  VAL  86          3HG2      VAL  86  -5.637 -11.088   2.211
  621    H    ALA  87           H        ALA  87  -6.274 -11.243  -2.744
  622    HA   ALA  87           HA       ALA  87  -8.819 -12.221  -3.430
  623   1HB   ALA  87          3HB       ALA  87  -6.998 -10.327  -4.374
  624   2HB   ALA  87          1HB       ALA  87  -7.070 -11.534  -5.680
  625   3HB   ALA  87          2HB       ALA  87  -8.562 -10.744  -5.115
  626    H    GLY  88           H        GLY  88  -5.456 -13.342  -4.053
  627   1HA   GLY  88          1HA       GLY  88  -4.688 -15.182  -5.135
  628   2HA   GLY  88          2HA       GLY  88  -5.854 -15.991  -4.107
  629    H    ALA  89           H        ALA  89  -6.779 -17.552  -5.397
  630    HA   ALA  89           HA       ALA  89  -7.584 -16.761  -8.093
  631   1HB   ALA  89          3HB       ALA  89  -6.166 -18.792  -7.756
  632   2HB   ALA  89          1HB       ALA  89  -7.472 -19.506  -6.779
  633   3HB   ALA  89          2HB       ALA  89  -7.738 -19.161  -8.505
  634    H    ASP  90           H        ASP  90  -9.175 -15.373  -6.546
  635    HA   ASP  90           HA       ASP  90 -11.486 -17.064  -6.028
  636   1HB   ASP  90          1HB       ASP  90 -10.325 -15.328  -4.319
  637   2HB   ASP  90          2HB       ASP  90 -11.339 -14.177  -5.165
  638    H    ALA  91           H        ALA  91 -10.074 -14.605  -8.062
  639    HA   ALA  91           HA       ALA  91 -10.814 -13.408  -9.768
  640   1HB   ALA  91          3HB       ALA  91 -12.064 -15.878  -9.956
  641   2HB   ALA  91          1HB       ALA  91 -13.421 -14.735 -10.105
  642   3HB   ALA  91          2HB       ALA  91 -12.040 -14.629 -11.224
  643    H    ALA  92           H        ALA  92 -12.199 -11.600 -10.312
  644    HA   ALA  92           HA       ALA  92 -13.761 -10.040  -9.946
  645   1HB   ALA  92          1HB       ALA  92 -15.065 -12.152  -8.945
  646   2HB   ALA  92          2HB       ALA  92 -14.781 -11.286  -7.416
  647   3HB   ALA  92          3HB       ALA  92 -15.672 -10.492  -8.736
  648    H    LYS  93           H        LYS  93 -12.375 -11.384  -6.869
  649    HA   LYS  93           HA       LYS  93 -12.182  -8.837  -5.661
  650   1HB   LYS  93          1HB       LYS  93 -10.941 -11.525  -5.027
  651   2HB   LYS  93          2HB       LYS  93 -10.709 -10.102  -4.032
  652   1HG   LYS  93          1HG       LYS  93 -13.295  -9.908  -3.966
  653   2HG   LYS  93          2HG       LYS  93 -13.334 -11.517  -4.658
  654   1HD   LYS  93          1HD       LYS  93 -11.798 -12.248  -2.709
  655   2HD   LYS  93          2HD       LYS  93 -12.129 -10.687  -1.984
  656   1HE   LYS  93          1HE       LYS  93 -14.293 -11.250  -1.422
  657   2HE   LYS  93          2HE       LYS  93 -14.559 -12.143  -2.907
  658   1HZ   LYS  93          1HZ       LYS  93 -12.752 -13.245  -0.851
  659   2HZ   LYS  93          2HZ       LYS  93 -14.360 -13.450  -0.705
  660    H    LYS  94           H        LYS  94  -9.942 -10.920  -7.558
  661    HA   LYS  94           HA       LYS  94  -7.682  -9.303  -7.152
  662   1HB   LYS  94          1HB       LYS  94  -6.615 -10.723  -8.633
  663   2HB   LYS  94          2HB       LYS  94  -7.890 -11.744  -7.998
  664   1HG   LYS  94          1HG       LYS  94  -9.316 -10.969 -10.021
  665   2HG   LYS  94          2HG       LYS  94  -7.838 -10.297 -10.680
  666   1HD   LYS  94          1HD       LYS  94  -7.218 -12.964  -9.817
  667   2HD   LYS  94          2HD       LYS  94  -8.735 -13.057 -10.689
  668   1HE   LYS  94          1HE       LYS  94  -6.250 -11.644 -11.766
  669   2HE   LYS  94          2HE       LYS  94  -6.665 -13.303 -12.148
  670   1HZ   LYS  94          1HZ       LYS  94  -8.384 -12.631 -13.479
  671   2HZ   LYS  94          2HZ       LYS  94  -8.771 -11.330 -12.579
  672    H    LYS  95           H        LYS  95 -10.616  -8.688  -8.768
  673    HA   LYS  95           HA       LYS  95  -9.334  -6.881 -10.672
  674   1HB   LYS  95          1HB       LYS  95 -11.491  -8.622 -10.906
  675   2HB   LYS  95          2HB       LYS  95 -12.253  -7.053 -10.745
  676   1HG   LYS  95          1HG       LYS  95 -11.220  -6.192 -12.685
  677   2HG   LYS  95          2HG       LYS  95  -9.887  -7.326 -12.608
  678   1HD   LYS  95          1HD       LYS  95 -12.505  -8.670 -12.906
  679   2HD   LYS  95          2HD       LYS  95 -12.159  -7.571 -14.227
  680   1HE   LYS  95          1HE       LYS  95  -9.911  -8.677 -14.524
  681   2HE   LYS  95          2HE       LYS  95 -10.318  -9.807 -13.248
  682   1HZ   LYS  95          1HZ       LYS  95 -12.085  -9.502 -15.600
  683   2HZ   LYS  95          2HZ       LYS  95 -10.809 -10.513 -15.643
  684    H    ASP  96           H        ASP  96 -10.682  -6.985  -7.517
  685    HA   ASP  96           HA       ASP  96 -11.100  -4.103  -7.667
  686   1HB   ASP  96          1HB       ASP  96 -12.807  -6.228  -6.655
  687   2HB   ASP  96          2HB       ASP  96 -12.358  -5.181  -5.324
  688    H    LEU  97           H        LEU  97  -8.925  -6.397  -6.817
  689    HA   LEU  97           HA       LEU  97  -8.156  -4.994  -4.354
  690   1HB   LEU  97          1HB       LEU  97  -8.087  -7.938  -4.988
  691   2HB   LEU  97          2HB       LEU  97  -7.085  -7.228  -3.737
  692    HG   LEU  97           HG       LEU  97 -10.080  -7.507  -3.831
  693   1HD1  LEU  97          2HD1      LEU  97  -8.175  -9.075  -2.716
  694   2HD1  LEU  97          3HD1      LEU  97  -8.532  -7.983  -1.356
  695   3HD1  LEU  97          1HD1      LEU  97  -9.841  -8.931  -2.103
  696   1HD2  LEU  97          2HD2      LEU  97  -8.503  -5.389  -2.430
  697   2HD2  LEU  97          3HD2      LEU  97 -10.125  -5.322  -3.160
  698   3HD2  LEU  97          1HD2      LEU  97  -9.889  -6.123  -1.588
  699    H    THR  98           H        THR  98  -7.110  -6.852  -7.269
  700    HA   THR  98           HA       THR  98  -4.588  -5.331  -7.144
  701    HB   THR  98           HB       THR  98  -3.438  -7.312  -7.883
  702    HG1  THR  98           HG1      THR  98  -4.614  -8.604  -9.240
  703   1HG2  THR  98          2HG2      THR  98  -5.705  -8.284  -6.063
  704   2HG2  THR  98          3HG2      THR  98  -4.178  -9.147  -6.361
  705   3HG2  THR  98          1HG2      THR  98  -4.166  -7.590  -5.500
  706    H    GLY  99           H        GLY  99  -7.489  -5.270  -8.564
  707   1HA   GLY  99          1HA       GLY  99  -7.070  -5.474 -11.306
  708   2HA   GLY  99          2HA       GLY  99  -8.259  -4.460 -10.513
  709    H    CYS 100           H        CYS 100  -6.647  -3.871 -12.939
  710    HA   CYS 100           HA       CYS 100  -4.783  -1.864 -12.006
  711   1HB   CYS 100          1HB       CYS 100  -5.312  -3.264 -14.562
  712   2HB   CYS 100          2HB       CYS 100  -4.781  -1.600 -14.700
  713    H    LYS 101           H        LYS 101  -7.874  -2.237 -13.852
  714    HA   LYS 101           HA       LYS 101  -8.409   0.587 -13.273
  715   1HB   LYS 101          1HB       LYS 101  -7.700   0.295 -15.643
  716   2HB   LYS 101          2HB       LYS 101  -9.033  -0.816 -15.889
  717   1HG   LYS 101          1HG       LYS 101 -10.502   1.168 -14.898
  718   2HG   LYS 101          2HG       LYS 101  -9.128   2.161 -15.340
  719   1HD   LYS 101          1HD       LYS 101  -9.478   0.598 -17.622
  720   2HD   LYS 101          2HD       LYS 101 -11.128   0.831 -17.079
  721   1HE   LYS 101          1HE       LYS 101  -9.293   3.232 -17.139
  722   2HE   LYS 101          2HE       LYS 101  -9.917   2.628 -18.661
  723   1HZ   LYS 101          1HZ       LYS 101 -11.301   4.346 -17.309
  724   2HZ   LYS 101          2HZ       LYS 101 -12.090   3.120 -18.034
  725    H    LYS 102           H        LYS 102 -10.516   1.056 -12.613
  726    HA   LYS 102           HA       LYS 102 -12.538   0.681 -11.809
  727   1HB   LYS 102          1HB       LYS 102 -12.414  -1.501 -13.875
  728   2HB   LYS 102          2HB       LYS 102 -13.778  -1.415 -12.778
  729   1HG   LYS 102          1HG       LYS 102 -13.120   1.237 -13.859
  730   2HG   LYS 102          2HG       LYS 102 -13.414   0.086 -15.147
  731   1HD   LYS 102          1HD       LYS 102 -15.632   0.443 -14.800
  732   2HD   LYS 102          2HD       LYS 102 -15.461  -0.496 -13.330
  733   1HE   LYS 102          1HE       LYS 102 -16.122   1.372 -12.210
  734   2HE   LYS 102          2HE       LYS 102 -14.531   2.023 -12.548
  735   1HZ   LYS 102          1HZ       LYS 102 -16.756   3.212 -13.371
  736   2HZ   LYS 102          2HZ       LYS 102 -15.359   3.354 -14.195
  737    H    SER 103           H        SER 103 -10.495   0.105 -10.132
  738    HA   SER 103           HA       SER 103 -11.377  -2.400  -8.923
  739   1HB   SER 103          1HB       SER 103  -8.912  -1.992  -7.798
  740   2HB   SER 103          2HB       SER 103  -9.197  -3.004  -9.200
  741    HG   SER 103           HG       SER 103  -8.555  -0.181  -9.336
  742    H    LYS 104           H        LYS 104 -10.307  -2.184  -6.387
  743    HA   LYS 104           HA       LYS 104 -11.973  -0.161  -5.256
  744   1HB   LYS 104          1HB       LYS 104 -10.084  -2.179  -4.010
  745   2HB   LYS 104          2HB       LYS 104 -11.140  -1.117  -3.101
  746   1HG   LYS 104          1HG       LYS 104 -12.273  -2.884  -5.296
  747   2HG   LYS 104          2HG       LYS 104 -11.969  -3.544  -3.702
  748   1HD   LYS 104          1HD       LYS 104 -13.334  -1.005  -3.399
  749   2HD   LYS 104          2HD       LYS 104 -14.213  -1.972  -4.566
  750   1HE   LYS 104          1HE       LYS 104 -13.591  -3.835  -2.570
  751   2HE   LYS 104          2HE       LYS 104 -13.897  -2.375  -1.651
  752   1HZ   LYS 104          1HZ       LYS 104 -16.019  -2.169  -2.955
  753   2HZ   LYS 104          2HZ       LYS 104 -15.749  -3.644  -3.591
  754    H    CYS 105           H        CYS 105  -8.547  -0.556  -6.070
  755    HA   CYS 105           HA       CYS 105  -7.772   1.677  -4.443
  756   1HB   CYS 105          1HB       CYS 105  -6.184   0.134  -6.520
  757   2HB   CYS 105          2HB       CYS 105  -5.534   1.309  -5.394
  758    H    HIS 106           H        HIS 106  -7.548   0.910  -8.002
  759    HA   HIS 106           HA       HIS 106  -7.730   3.764  -8.521
  760   1HB   HIS 106          1HB       HIS 106  -6.979   1.432 -10.304
  761   2HB   HIS 106          2HB       HIS 106  -7.054   3.101 -10.833
  762    HD1  HIS 106           HD1      HIS 106  -5.496   4.740  -9.007
  763    HD2  HIS 106           HD2      HIS 106  -4.418   0.747  -9.706
  764    HE1  HIS 106           HE1      HIS 106  -3.037   4.540  -8.359
  765    H    GLU 107           H        GLU 107  -9.486   4.724  -9.497
  766    HA   GLU 107           HA       GLU 107 -11.625   2.877 -10.227
  767   1HB   GLU 107          1HB       GLU 107 -13.231   4.582  -9.505
  768   2HB   GLU 107          2HB       GLU 107 -12.129   4.215  -8.193
  769   1HG   GLU 107          1HG       GLU 107 -11.327   6.345  -8.140
  770   2HG   GLU 107          2HG       GLU 107 -11.062   6.370  -9.872
  771    HHA  HEC 108           HHA      HEC 108  -0.769   6.693   7.481
  772    HHB  HEC 108           HHB      HEC 108  -1.667   4.049  13.249
  773    HHC  HEC 108           HHC      HEC 108  -2.547  -1.673  10.499
  774    HHD  HEC 108           HHD      HEC 108  -1.116   0.906   4.746
  775   1HMA  HEC 108          1HMA      HEC 108  -0.609   5.917  13.507
  776   2HMA  HEC 108          2HMA      HEC 108  -0.228   7.467  12.719
  777   3HMA  HEC 108          3HMA      HEC 108  -1.921   7.026  13.043
  778   1HAA  HEC 108          1HAA      HEC 108  -0.509   8.557  10.790
  779   2HAA  HEC 108          2HAA      HEC 108   0.605   7.973   9.530
  780   1HBA  HEC 108          1HBA      HEC 108  -0.665   8.922   7.988
  781   2HBA  HEC 108          2HBA      HEC 108  -2.030   7.882   8.461
  782   1HMB  HEC 108          1HMB      HEC 108  -2.649   0.899  15.102
  783   2HMB  HEC 108          2HMB      HEC 108  -1.749   2.410  14.830
  784   3HMB  HEC 108          3HMB      HEC 108  -3.514   2.372  14.601
  785    HAB  HEC 108           HAB      HEC 108  -3.245  -1.797  12.359
  786   1HBB  HEC 108          1HBB      HEC 108  -4.947  -0.162  13.527
  787   2HBB  HEC 108          2HBB      HEC 108  -4.811  -1.866  14.022
  788   3HBB  HEC 108          3HBB      HEC 108  -4.018  -0.594  14.982
  789   1HMC  HEC 108          1HMC      HEC 108  -1.666  -3.607   7.973
  790   2HMC  HEC 108          2HMC      HEC 108  -2.986  -3.053   9.031
  791   3HMC  HEC 108          3HMC      HEC 108  -3.292  -3.342   7.301
  792    HAC  HEC 108           HAC      HEC 108  -1.965  -0.982   4.406
  793   1HBC  HEC 108          1HBC      HEC 108  -2.420  -3.750   5.452
  794   2HBC  HEC 108          2HBC      HEC 108  -3.743  -2.561   5.504
  795   3HBC  HEC 108          3HBC      HEC 108  -2.988  -2.985   3.949
  796   1HMD  HEC 108          1HMD      HEC 108  -1.385   3.192   2.967
  797   2HMD  HEC 108          2HMD      HEC 108   0.215   3.970   3.028
  798   3HMD  HEC 108          3HMD      HEC 108   0.049   2.245   3.434
  799   1HAD  HEC 108          1HAD      HEC 108  -0.515   6.929   5.490
  800   2HAD  HEC 108          2HAD      HEC 108   0.899   6.151   4.739
  801   1HBD  HEC 108          1HBD      HEC 108  -1.383   5.429   3.208
  802   2HBD  HEC 108          2HBD      HEC 108  -1.456   7.183   3.505
  803    HHA  HEC 109           HHA      HEC 109  11.674  -2.211   1.673
  804    HHB  HEC 109           HHB      HEC 109   5.318  -1.456   1.293
  805    HHC  HEC 109           HHC      HEC 109   5.650   3.453   5.401
  806    HHD  HEC 109           HHD      HEC 109  12.122   3.322   4.882
  807   1HMA  HEC 109          1HMA      HEC 109   6.354  -4.210   0.877
  808   2HMA  HEC 109          2HMA      HEC 109   5.975  -2.878  -0.241
  809   3HMA  HEC 109          3HMA      HEC 109   7.274  -4.028  -0.636
  810   1HAA  HEC 109          1HAA      HEC 109  10.916  -3.864   0.791
  811   2HAA  HEC 109          2HAA      HEC 109   9.449  -4.769   0.349
  812   1HBA  HEC 109          1HBA      HEC 109   9.304  -3.452  -1.739
  813   2HBA  HEC 109          2HBA      HEC 109  10.826  -2.639  -1.302
  814   1HMB  HEC 109          1HMB      HEC 109   3.338  -0.524   1.484
  815   2HMB  HEC 109          2HMB      HEC 109   3.016  -1.160   3.115
  816   3HMB  HEC 109          3HMB      HEC 109   2.336   0.409   2.622
  817    HAB  HEC 109           HAB      HEC 109   3.745   2.860   5.334
  818   1HBB  HEC 109          1HBB      HEC 109   2.364   0.336   4.703
  819   2HBB  HEC 109          2HBB      HEC 109   2.426   1.276   6.214
  820   3HBB  HEC 109          3HBB      HEC 109   1.301   1.746   4.918
  821   1HMC  HEC 109          1HMC      HEC 109   8.084   6.158   6.752
  822   2HMC  HEC 109          2HMC      HEC 109   6.623   5.519   5.961
  823   3HMC  HEC 109          3HMC      HEC 109   7.162   4.842   7.516
  824    HAC  HEC 109           HAC      HEC 109  11.680   4.873   5.988
  825   1HBC  HEC 109          1HBC      HEC 109   9.736   5.782   8.115
  826   2HBC  HEC 109          2HBC      HEC 109  10.697   4.288   8.229
  827   3HBC  HEC 109          3HBC      HEC 109  11.514   5.866   8.135
  828   1HMD  HEC 109          1HMD      HEC 109  14.379   1.638   5.070
  829   2HMD  HEC 109          2HMD      HEC 109  15.068   1.435   3.441
  830   3HMD  HEC 109          3HMD      HEC 109  14.098   2.877   3.824
  831   1HAD  HEC 109          1HAD      HEC 109  13.637  -1.919   2.164
  832   2HAD  HEC 109          2HAD      HEC 109  14.346  -0.487   1.379
  833   1HBD  HEC 109          1HBD      HEC 109  14.993  -0.464   4.180
  834   2HBD  HEC 109          2HBD      HEC 109  15.419  -2.040   3.469
  835    HHA  HEC 110           HHA      HEC 110 -10.153  -4.806   0.910
  836    HHB  HEC 110           HHB      HEC 110  -6.406   0.080  -0.877
  837    HHC  HEC 110           HHC      HEC 110  -1.399  -2.749   1.951
  838    HHD  HEC 110           HHD      HEC 110  -5.035  -7.876   3.252
  839   1HMA  HEC 110          1HMA      HEC 110  -9.407  -0.406  -2.350
  840   2HMA  HEC 110          2HMA      HEC 110  -9.921   0.336  -0.816
  841   3HMA  HEC 110          3HMA      HEC 110  -8.246   0.536  -1.384
  842   1HAA  HEC 110          1HAA      HEC 110 -11.257  -2.013  -1.335
  843   2HAA  HEC 110          2HAA      HEC 110 -11.178  -3.648  -0.637
  844   1HBA  HEC 110          1HBA      HEC 110 -11.186  -1.821   1.529
  845   2HBA  HEC 110          2HBA      HEC 110 -12.450  -1.304   0.388
  846   1HMB  HEC 110          1HMB      HEC 110  -3.506   0.876  -1.886
  847   2HMB  HEC 110          2HMB      HEC 110  -4.870   1.400  -0.869
  848   3HMB  HEC 110          3HMB      HEC 110  -3.198   1.731  -0.356
  849    HAB  HEC 110           HAB      HEC 110  -0.759  -1.029   1.179
  850   1HBB  HEC 110          1HBB      HEC 110  -1.168   1.669   0.010
  851   2HBB  HEC 110          2HBB      HEC 110  -2.006   1.310   1.538
  852   3HBB  HEC 110          3HBB      HEC 110  -0.236   1.156   1.436
  853   1HMC  HEC 110          1HMC      HEC 110   0.036  -6.020   2.213
  854   2HMC  HEC 110          2HMC      HEC 110  -0.152  -4.261   2.408
  855   3HMC  HEC 110          3HMC      HEC 110  -0.217  -5.327   3.832
  856    HAC  HEC 110           HAC      HEC 110  -3.096  -8.034   4.289
  857   1HBC  HEC 110          1HBC      HEC 110  -0.844  -8.564   4.899
  858   2HBC  HEC 110          2HBC      HEC 110  -0.193  -7.433   3.689
  859   3HBC  HEC 110          3HBC      HEC 110  -1.082  -6.812   5.100
  860   1HMD  HEC 110          1HMD      HEC 110  -8.528  -9.304   3.148
  861   2HMD  HEC 110          2HMD      HEC 110  -6.754  -9.321   3.002
  862   3HMD  HEC 110          3HMD      HEC 110  -7.522  -8.598   4.436
  863   1HAD  HEC 110          1HAD      HEC 110 -10.247  -8.168   2.733
  864   2HAD  HEC 110          2HAD      HEC 110 -10.782  -6.471   2.662
  865   1HBD  HEC 110          1HBD      HEC 110 -11.608  -6.815   0.640
  866   2HBD  HEC 110          2HBD      HEC 110  -9.995  -7.268   0.037
  867    HHA  HEC 111           HHA      HEC 111   0.365   5.547  -7.674
  868    HHB  HEC 111           HHB      HEC 111  -0.592   2.022 -12.944
  869    HHC  HEC 111           HHC      HEC 111  -3.262  -2.596  -9.393
  870    HHD  HEC 111           HHD      HEC 111  -3.049   1.343  -4.250
  871   1HMA  HEC 111          1HMA      HEC 111   0.971   5.483 -12.903
  872   2HMA  HEC 111          2HMA      HEC 111   1.596   3.826 -13.077
  873   3HMA  HEC 111          3HMA      HEC 111  -0.091   4.190 -13.510
  874   1HAA  HEC 111          1HAA      HEC 111   0.553   6.953 -10.740
  875   2HAA  HEC 111          2HAA      HEC 111   1.213   6.493  -9.152
  876   1HBA  HEC 111          1HBA      HEC 111   3.270   5.991  -9.997
  877   2HBA  HEC 111          2HBA      HEC 111   2.632   5.524 -11.591
  878   1HMB  HEC 111          1HMB      HEC 111  -0.860  -1.602 -14.015
  879   2HMB  HEC 111          2HMB      HEC 111  -1.826  -0.157 -14.399
  880   3HMB  HEC 111          3HMB      HEC 111  -0.133   0.017 -13.877
  881    HAB  HEC 111           HAB      HEC 111  -3.374  -3.140 -11.474
  882   1HBB  HEC 111          1HBB      HEC 111  -0.951  -3.677 -10.742
  883   2HBB  HEC 111          2HBB      HEC 111  -1.850  -4.868 -11.712
  884   3HBB  HEC 111          3HBB      HEC 111  -0.630  -3.829 -12.486
  885   1HMC  HEC 111          1HMC      HEC 111  -4.507  -3.338  -7.937
  886   2HMC  HEC 111          2HMC      HEC 111  -4.230  -3.644  -6.205
  887   3HMC  HEC 111          3HMC      HEC 111  -5.696  -2.783  -6.734
  888    HAC  HEC 111           HAC      HEC 111  -3.910  -0.366  -3.659
  889   1HBC  HEC 111          1HBC      HEC 111  -5.075  -3.064  -4.122
  890   2HBC  HEC 111          2HBC      HEC 111  -3.307  -2.894  -4.245
  891   3HBC  HEC 111          3HBC      HEC 111  -4.144  -2.428  -2.744
  892   1HMD  HEC 111          1HMD      HEC 111  -2.343   4.223  -2.981
  893   2HMD  HEC 111          2HMD      HEC 111  -2.012   2.475  -2.938
  894   3HMD  HEC 111          3HMD      HEC 111  -0.683   3.638  -2.718
  895   1HAD  HEC 111          1HAD      HEC 111   0.433   5.382  -3.950
  896   2HAD  HEC 111          2HAD      HEC 111   0.876   5.792  -5.624
  897   1HBD  HEC 111          1HBD      HEC 111  -1.240   7.034  -5.859
  898   2HBD  HEC 111          2HBD      HEC 111  -1.629   6.660  -4.163
   
  No H/Q in entry =         898
  Start of MODEL   12
    1   1H    ALA   1          1H        ALA   1  -1.838   2.970  23.148
    2   2H    ALA   1          2H        ALA   1  -0.523   1.972  23.286
    3    HA   ALA   1           HA       ALA   1   0.462   3.784  21.696
    4   1HB   ALA   1          3HB       ALA   1   0.409   1.240  21.534
    5   2HB   ALA   1          1HB       ALA   1  -1.156   1.412  20.705
    6   3HB   ALA   1          2HB       ALA   1   0.313   2.114  19.986
    7    HA   PRO   2           HA       PRO   2  -2.693   6.112  19.875
    8   1HB   PRO   2          1HB       PRO   2  -1.655   6.721  17.422
    9   2HB   PRO   2          2HB       PRO   2  -1.190   7.552  18.893
   10   1HG   PRO   2          1HG       PRO   2   0.317   5.530  17.351
   11   2HG   PRO   2          2HG       PRO   2   0.911   6.664  18.547
   12   1HD   PRO   2          1HD       PRO   2   0.443   3.859  18.924
   13   2HD   PRO   2          2HD       PRO   2   0.925   5.016  20.150
   14    H    LYS   3           H        LYS   3  -4.625   6.040  18.782
   15    HA   LYS   3           HA       LYS   3  -5.135   3.457  17.653
   16   1HB   LYS   3          1HB       LYS   3  -7.420   4.133  17.621
   17   2HB   LYS   3          2HB       LYS   3  -6.729   4.698  19.128
   18   1HG   LYS   3          1HG       LYS   3  -6.443   6.972  18.187
   19   2HG   LYS   3          2HG       LYS   3  -7.023   6.426  16.626
   20   1HD   LYS   3          1HD       LYS   3  -9.212   5.756  17.768
   21   2HD   LYS   3          2HD       LYS   3  -8.619   6.524  19.227
   22   1HE   LYS   3          1HE       LYS   3  -8.206   8.607  17.609
   23   2HE   LYS   3          2HE       LYS   3  -9.383   7.802  16.592
   24   1HZ   LYS   3          1HZ       LYS   3 -10.534   9.272  18.089
   25   2HZ   LYS   3          2HZ       LYS   3 -10.885   7.757  18.570
   26    H    ALA   4           H        ALA   4  -6.306   3.287  15.478
   27    HA   ALA   4           HA       ALA   4  -4.595   4.305  13.497
   28   1HB   ALA   4          2HB       ALA   4  -6.654   2.360  13.767
   29   2HB   ALA   4          3HB       ALA   4  -7.137   3.440  12.438
   30   3HB   ALA   4          1HB       ALA   4  -5.562   2.612  12.384
   31    HA   PRO   5           HA       PRO   5  -6.491   8.072  12.544
   32   1HB   PRO   5          1HB       PRO   5  -5.856   8.385   9.905
   33   2HB   PRO   5          2HB       PRO   5  -4.731   8.716  11.207
   34   1HG   PRO   5          1HG       PRO   5  -4.800   6.410   9.358
   35   2HG   PRO   5          2HG       PRO   5  -3.478   6.974  10.360
   36   1HD   PRO   5          1HD       PRO   5  -5.173   4.717  10.867
   37   2HD   PRO   5          2HD       PRO   5  -3.927   5.350  11.924
   38    H    ALA   6           H        ALA   6  -8.160   9.276  11.358
   39    HA   ALA   6           HA       ALA   6 -10.453   7.747  11.183
   40   1HB   ALA   6          2HB       ALA   6 -10.211  10.260  11.458
   41   2HB   ALA   6          3HB       ALA   6  -9.903  10.348   9.707
   42   3HB   ALA   6          1HB       ALA   6 -11.466   9.744  10.306
   43    H    ASP   7           H        ASP   7 -11.751   8.275   8.784
   44    HA   ASP   7           HA       ASP   7 -10.238   6.523   7.039
   45   1HB   ASP   7          1HB       ASP   7 -12.593   6.492   5.843
   46   2HB   ASP   7          2HB       ASP   7 -12.355   5.571   7.314
   47    H    GLY   8           H        GLY   8 -10.780   7.005   4.545
   48   1HA   GLY   8          1HA       GLY   8 -11.086   8.502   2.825
   49   2HA   GLY   8          2HA       GLY   8 -11.218   9.823   3.968
   50    H    LEU   9           H        LEU   9  -8.568   7.742   4.722
   51    HA   LEU   9           HA       LEU   9  -6.713   9.801   4.048
   52   1HB   LEU   9          1HB       LEU   9  -6.403   8.611   6.073
   53   2HB   LEU   9          2HB       LEU   9  -6.472   7.057   5.266
   54    HG   LEU   9           HG       LEU   9  -4.188   7.933   6.043
   55   1HD1  LEU   9          3HD1      LEU   9  -4.895   6.135   4.158
   56   2HD1  LEU   9          1HD1      LEU   9  -3.927   7.257   3.171
   57   3HD1  LEU   9          2HD1      LEU   9  -3.211   6.491   4.610
   58   1HD2  LEU   9          3HD2      LEU   9  -4.604   9.680   3.607
   59   2HD2  LEU   9          1HD2      LEU   9  -4.261  10.190   5.277
   60   3HD2  LEU   9          2HD2      LEU   9  -3.014   9.343   4.332
   61    H    LYS  10           H        LYS  10  -6.566  10.134   1.839
   62    HA   LYS  10           HA       LYS  10  -5.894   7.760   0.250
   63   1HB   LYS  10          1HB       LYS  10  -6.764   8.888  -1.655
   64   2HB   LYS  10          2HB       LYS  10  -7.952   9.045  -0.377
   65   1HG   LYS  10          1HG       LYS  10  -5.940  11.237  -0.436
   66   2HG   LYS  10          2HG       LYS  10  -6.942  11.151  -1.870
   67   1HD   LYS  10          1HD       LYS  10  -8.516  10.803   0.601
   68   2HD   LYS  10          2HD       LYS  10  -7.651  12.326   0.582
   69   1HE   LYS  10          1HE       LYS  10  -9.462  13.054  -0.629
   70   2HE   LYS  10          2HE       LYS  10  -8.612  12.328  -1.979
   71   1HZ   LYS  10          1HZ       LYS  10 -10.022  10.516  -1.974
   72   2HZ   LYS  10          2HZ       LYS  10 -10.359  10.593  -0.383
   73    H    MET  11           H        MET  11  -4.226   8.096  -1.477
   74    HA   MET  11           HA       MET  11  -2.202   9.927  -0.444
   75   1HB   MET  11          1HB       MET  11  -1.692   7.519  -2.252
   76   2HB   MET  11          2HB       MET  11  -0.548   8.328  -1.200
   77   1HG   MET  11          1HG       MET  11  -1.073   6.925   0.506
   78   2HG   MET  11          2HG       MET  11  -2.753   7.418   0.432
   79   1HE   MET  11          1HE       MET  11  -0.443   4.844   0.424
   80   2HE   MET  11          2HE       MET  11  -1.058   3.476  -0.534
   81   3HE   MET  11          3HE       MET  11  -0.127   4.769  -1.326
   82    H    GLU  12           H        GLU  12  -1.355  11.497  -1.792
   83    HA   GLU  12           HA       GLU  12  -2.066  11.256  -4.607
   84   1HB   GLU  12          1HB       GLU  12  -3.615  12.878  -3.800
   85   2HB   GLU  12          2HB       GLU  12  -2.426  13.633  -2.758
   86   1HG   GLU  12          1HG       GLU  12  -1.552  13.653  -5.566
   87   2HG   GLU  12          2HG       GLU  12  -3.113  14.427  -5.378
   88    H    ALA  13           H        ALA  13   0.263  10.275  -4.314
   89    HA   ALA  13           HA       ALA  13   2.233  12.449  -4.307
   90   1HB   ALA  13          3HB       ALA  13   2.469  10.560  -2.656
   91   2HB   ALA  13          1HB       ALA  13   2.664   9.449  -4.033
   92   3HB   ALA  13          2HB       ALA  13   3.858  10.740  -3.755
   93    H    THR  14           H        THR  14   0.453  10.236  -6.293
   94    HA   THR  14           HA       THR  14   2.265  10.860  -8.526
   95    HB   THR  14           HB       THR  14   2.122   8.592  -9.286
   96    HG1  THR  14           HG1      THR  14  -0.049   8.590  -7.319
   97   1HG2  THR  14          1HG2      THR  14   3.030   9.024  -6.655
   98   2HG2  THR  14          2HG2      THR  14   1.888   7.668  -6.492
   99   3HG2  THR  14          3HG2      THR  14   3.272   7.539  -7.605
  100    H    LYS  15           H        LYS  15   0.976  10.222 -10.692
  101    HA   LYS  15           HA       LYS  15  -1.183  12.059 -10.719
  102   1HB   LYS  15          1HB       LYS  15   0.489  11.652 -12.568
  103   2HB   LYS  15          2HB       LYS  15  -0.325  10.137 -12.898
  104   1HG   LYS  15          1HG       LYS  15  -2.040  11.176 -13.977
  105   2HG   LYS  15          2HG       LYS  15  -2.259  12.332 -12.679
  106   1HD   LYS  15          1HD       LYS  15   0.145  13.175 -13.818
  107   2HD   LYS  15          2HD       LYS  15  -0.750  12.612 -15.216
  108   1HE   LYS  15          1HE       LYS  15  -2.121  14.403 -13.187
  109   2HE   LYS  15          2HE       LYS  15  -1.046  15.110 -14.377
  110   1HZ   LYS  15          1HZ       LYS  15  -2.659  13.387 -15.805
  111   2HZ   LYS  15          2HZ       LYS  15  -3.683  14.109 -14.764
  112    H    GLN  16           H        GLN  16  -0.955   8.890  -9.607
  113    HA   GLN  16           HA       GLN  16  -3.812   8.558 -10.069
  114   1HB   GLN  16          1HB       GLN  16  -1.873   6.220  -9.940
  115   2HB   GLN  16          2HB       GLN  16  -3.554   6.193 -10.436
  116   1HG   GLN  16          1HG       GLN  16  -2.080   8.118 -12.059
  117   2HG   GLN  16          2HG       GLN  16  -1.263   6.568 -12.093
  118   1HE2  GLN  16          2HE2      GLN  16  -4.229   4.788 -13.313
  119   2HE2  GLN  16          1HE2      GLN  16  -3.095   4.699 -12.007
  120    HA   PRO  17           HA       PRO  17  -3.108   8.471  -5.651
  121   1HB   PRO  17          1HB       PRO  17  -5.404   9.772  -4.941
  122   2HB   PRO  17          2HB       PRO  17  -3.889  10.599  -5.243
  123   1HG   PRO  17          1HG       PRO  17  -6.294  10.453  -6.955
  124   2HG   PRO  17          2HG       PRO  17  -4.962  11.590  -7.028
  125   1HD   PRO  17          1HD       PRO  17  -5.409   9.357  -8.771
  126   2HD   PRO  17          2HD       PRO  17  -4.018  10.424  -8.770
  127    H    VAL  18           H        VAL  18  -4.576   7.751  -3.728
  128    HA   VAL  18           HA       VAL  18  -6.629   5.945  -4.611
  129    HB   VAL  18           HB       VAL  18  -4.015   4.943  -3.474
  130   1HG1  VAL  18          1HG1      VAL  18  -6.049   3.940  -2.363
  131   2HG1  VAL  18          2HG1      VAL  18  -6.518   3.302  -3.957
  132   3HG1  VAL  18          3HG1      VAL  18  -4.994   2.779  -3.202
  133   1HG2  VAL  18          1HG2      VAL  18  -5.486   4.487  -6.081
  134   2HG2  VAL  18          2HG2      VAL  18  -3.843   5.124  -5.832
  135   3HG2  VAL  18          3HG2      VAL  18  -4.192   3.410  -5.504
  136    H    VAL  19           H        VAL  19  -8.010   5.318  -2.875
  137    HA   VAL  19           HA       VAL  19  -7.491   6.862  -0.436
  138    HB   VAL  19           HB       VAL  19 -10.035   5.888  -1.741
  139   1HG1  VAL  19          1HG1      VAL  19  -9.613   7.205   0.957
  140   2HG1  VAL  19          2HG1      VAL  19 -11.184   7.149   0.121
  141   3HG1  VAL  19          3HG1      VAL  19 -10.382   5.637   0.612
  142   1HG2  VAL  19          2HG2      VAL  19  -8.536   8.175  -2.204
  143   2HG2  VAL  19          3HG2      VAL  19 -10.255   7.945  -2.604
  144   3HG2  VAL  19          1HG2      VAL  19  -9.795   8.728  -1.073
  145    H    PHE  20           H        PHE  20  -6.761   5.708   1.266
  146    HA   PHE  20           HA       PHE  20  -7.313   2.836   1.282
  147   1HB   PHE  20          1HB       PHE  20  -4.959   3.864   1.457
  148   2HB   PHE  20          2HB       PHE  20  -5.466   4.679   2.924
  149    HD1  PHE  20           HD1      PHE  20  -4.904   1.315   1.428
  150    HD2  PHE  20           HD2      PHE  20  -5.391   3.578   5.026
  151    HE1  PHE  20           HE1      PHE  20  -4.198  -0.704   2.801
  152    HE2  PHE  20           HE2      PHE  20  -4.683   1.550   6.388
  153    HZ   PHE  20           HZ       PHE  20  -4.139  -0.488   5.333
  154    H    ASN  21           H        ASN  21  -7.470   1.926   3.664
  155    HA   ASN  21           HA       ASN  21  -8.909   3.727   5.376
  156   1HB   ASN  21          1HB       ASN  21 -10.139   1.174   4.215
  157   2HB   ASN  21          2HB       ASN  21 -10.791   1.987   5.624
  158   1HD2  ASN  21          2HD2      ASN  21 -12.086   4.811   3.922
  159   2HD2  ASN  21          1HD2      ASN  21 -11.454   4.216   5.422
  160    H    HIS  22           H        HIS  22  -8.855   2.955   7.605
  161    HA   HIS  22           HA       HIS  22  -7.030   0.710   7.964
  162   1HB   HIS  22          1HB       HIS  22  -7.693   3.168   9.545
  163   2HB   HIS  22          2HB       HIS  22  -7.113   1.753  10.401
  164    HD1  HIS  22           HD1      HIS  22  -6.015   4.435   8.011
  165    HD2  HIS  22           HD2      HIS  22  -4.400   1.058   9.904
  166    HE1  HIS  22           HE1      HIS  22  -3.487   4.575   7.689
  167    H    SER  23           H        SER  23 -10.356   1.727   8.312
  168    HA   SER  23           HA       SER  23 -10.979  -0.114  10.365
  169   1HB   SER  23          1HB       SER  23 -12.219   2.094   9.370
  170   2HB   SER  23          2HB       SER  23 -13.116   0.862   8.505
  171    HG   SER  23           HG       SER  23 -13.251   1.586  11.174
  172    H    THR  24           H        THR  24 -10.009  -0.566   7.203
  173    HA   THR  24           HA       THR  24 -11.794  -2.864   6.783
  174    HB   THR  24           HB       THR  24 -10.024  -1.222   4.897
  175    HG1  THR  24           HG1      THR  24 -12.216  -0.500   5.855
  176   1HG2  THR  24          3HG2      THR  24 -11.465  -3.832   4.581
  177   2HG2  THR  24          1HG2      THR  24 -11.786  -2.617   3.320
  178   3HG2  THR  24          2HG2      THR  24 -10.120  -3.162   3.627
  179    H    HIS  25           H        HIS  25  -8.414  -1.833   7.236
  180    HA   HIS  25           HA       HIS  25  -7.611  -4.622   6.950
  181   1HB   HIS  25          1HB       HIS  25  -5.947  -2.094   7.130
  182   2HB   HIS  25          2HB       HIS  25  -5.309  -3.714   6.933
  183    HD1  HIS  25           HD1      HIS  25  -7.512  -1.202   5.081
  184    HD2  HIS  25           HD2      HIS  25  -5.167  -4.597   4.323
  185    HE1  HIS  25           HE1      HIS  25  -7.410  -1.449   2.543
  186    H    LYS  26           H        LYS  26  -9.259  -3.826   9.196
  187    HA   LYS  26           HA       LYS  26  -7.650  -3.288  11.448
  188   1HB   LYS  26          1HB       LYS  26 -10.400  -4.560  11.331
  189   2HB   LYS  26          2HB       LYS  26  -9.657  -3.800  12.723
  190   1HG   LYS  26          1HG       LYS  26  -9.567  -1.625  11.503
  191   2HG   LYS  26          2HG       LYS  26 -10.277  -2.379  10.089
  192   1HD   LYS  26          1HD       LYS  26 -12.209  -1.532  11.053
  193   2HD   LYS  26          2HD       LYS  26 -12.182  -3.100  11.834
  194   1HE   LYS  26          1HE       LYS  26 -10.732  -0.772  13.126
  195   2HE   LYS  26          2HE       LYS  26 -12.472  -0.898  13.288
  196   1HZ   LYS  26          1HZ       LYS  26 -11.650  -3.412  13.875
  197   2HZ   LYS  26          2HZ       LYS  26 -10.431  -2.533  14.503
  198    H    SER  27           H        SER  27  -8.919  -6.306   9.929
  199    HA   SER  27           HA       SER  27  -7.943  -7.969  11.944
  200   1HB   SER  27          1HB       SER  27  -8.238  -9.777  10.171
  201   2HB   SER  27          2HB       SER  27  -9.664  -8.815  10.508
  202    HG   SER  27           HG       SER  27  -9.335  -9.066   8.219
  203    H    VAL  28           H        VAL  28  -6.383  -6.155   9.457
  204    HA   VAL  28           HA       VAL  28  -4.171  -7.989   9.156
  205    HB   VAL  28           HB       VAL  28  -4.542  -5.159   8.159
  206   1HG1  VAL  28          3HG1      VAL  28  -2.196  -6.231   8.243
  207   2HG1  VAL  28          1HG1      VAL  28  -2.786  -7.294   6.943
  208   3HG1  VAL  28          2HG1      VAL  28  -2.741  -5.531   6.700
  209   1HG2  VAL  28          3HG2      VAL  28  -5.508  -7.799   7.115
  210   2HG2  VAL  28          1HG2      VAL  28  -6.305  -6.208   7.112
  211   3HG2  VAL  28          2HG2      VAL  28  -4.994  -6.548   5.957
  212    H    LYS  29           H        LYS  29  -2.104  -7.739  10.044
  213    HA   LYS  29           HA       LYS  29  -2.036  -6.325  12.508
  214   1HB   LYS  29          1HB       LYS  29  -0.574  -8.420  11.210
  215   2HB   LYS  29          2HB       LYS  29   0.565  -7.190  11.719
  216   1HG   LYS  29          1HG       LYS  29   0.419  -8.393  13.698
  217   2HG   LYS  29          2HG       LYS  29  -0.875  -7.244  13.977
  218   1HD   LYS  29          1HD       LYS  29  -2.432  -8.895  14.012
  219   2HD   LYS  29          2HD       LYS  29  -1.906  -9.499  12.453
  220   1HE   LYS  29          1HE       LYS  29  -0.698 -11.199  13.389
  221   2HE   LYS  29          2HE       LYS  29   0.022 -10.146  14.591
  222   1HZ   LYS  29          1HZ       LYS  29  -1.871 -11.996  15.131
  223   2HZ   LYS  29          2HZ       LYS  29  -1.549 -10.726  16.097
  224    H    CYS  30           H        CYS  30  -0.987  -4.413  13.055
  225    HA   CYS  30           HA       CYS  30  -0.774  -2.503  11.051
  226   1HB   CYS  30          1HB       CYS  30   0.629  -2.286  13.704
  227   2HB   CYS  30          2HB       CYS  30  -0.064  -1.011  12.721
  228    H    GLY  31           H        GLY  31   1.540  -4.777  12.557
  229   1HA   GLY  31          1HA       GLY  31   3.887  -3.555  11.459
  230   2HA   GLY  31          2HA       GLY  31   3.754  -5.122  12.233
  231    H    ASP  32           H        ASP  32   1.294  -5.135   9.983
  232    HA   ASP  32           HA       ASP  32   2.828  -6.794   8.258
  233   1HB   ASP  32          1HB       ASP  32   0.418  -7.215   8.947
  234   2HB   ASP  32          2HB       ASP  32  -0.057  -5.829   7.986
  235    H    CYS  33           H        CYS  33   1.422  -3.510   8.326
  236    HA   CYS  33           HA       CYS  33   2.240  -3.115   5.549
  237   1HB   CYS  33          1HB       CYS  33   0.105  -1.933   7.257
  238   2HB   CYS  33          2HB       CYS  33   0.895  -0.845   6.132
  239    H    HIS  34           H        HIS  34   2.223  -1.513   8.821
  240    HA   HIS  34           HA       HIS  34   4.289   0.283   8.035
  241   1HB   HIS  34          1HB       HIS  34   3.087  -0.318  10.752
  242   2HB   HIS  34          2HB       HIS  34   4.192   0.998  10.407
  243    HD1  HIS  34           HD1      HIS  34   3.276   2.943   8.807
  244    HD2  HIS  34           HD2      HIS  34   0.421   0.157  10.104
  245    HE1  HIS  34           HE1      HIS  34   0.995   3.993   8.354
  246    H    HIS  35           H        HIS  35   5.540  -1.823   7.266
  247    HA   HIS  35           HA       HIS  35   6.671  -3.580   8.987
  248   1HB   HIS  35          1HB       HIS  35   8.418  -3.871   7.348
  249   2HB   HIS  35          2HB       HIS  35   6.878  -3.648   6.543
  250    HD1  HIS  35           HD1      HIS  35   9.989  -1.607   7.445
  251    HD2  HIS  35           HD2      HIS  35   6.865  -1.662   4.646
  252    HE1  HIS  35           HE1      HIS  35  10.524   0.214   5.740
  253    HA   PRO  36           HA       PRO  36   9.354  -1.303  11.502
  254   1HB   PRO  36          1HB       PRO  36  11.106  -3.241  12.306
  255   2HB   PRO  36          2HB       PRO  36   9.518  -3.030  13.017
  256   1HG   PRO  36          1HG       PRO  36  10.441  -5.105  11.124
  257   2HG   PRO  36          2HG       PRO  36   9.027  -5.114  12.158
  258   1HD   PRO  36          1HD       PRO  36   9.084  -4.625   9.333
  259   2HD   PRO  36          2HD       PRO  36   7.688  -4.519  10.386
  260    H    VAL  37           H        VAL  37  10.869   0.206  11.189
  261    HA   VAL  37           HA       VAL  37  12.886  -0.557   9.190
  262    HB   VAL  37           HB       VAL  37  11.506   2.064   9.765
  263   1HG1  VAL  37          1HG1      VAL  37  14.187   1.561   8.644
  264   2HG1  VAL  37          2HG1      VAL  37  13.143   2.582   7.626
  265   3HG1  VAL  37          3HG1      VAL  37  13.479   3.052   9.309
  266   1HG2  VAL  37          3HG2      VAL  37  11.024  -0.034   7.921
  267   2HG2  VAL  37          1HG2      VAL  37  10.242   1.563   7.998
  268   3HG2  VAL  37          2HG2      VAL  37  11.688   1.328   6.987
  269    H    ASN  38           H        ASN  38  14.812  -0.968  10.135
  270    HA   ASN  38           HA       ASN  38  16.663  -0.447  11.219
  271   1HB   ASN  38          1HB       ASN  38  15.533   2.012  11.389
  272   2HB   ASN  38          2HB       ASN  38  15.372   1.561  13.075
  273   1HD2  ASN  38          2HD2      ASN  38  18.537   3.232  13.134
  274   2HD2  ASN  38          1HD2      ASN  38  16.826   3.497  13.159
  275    H    GLY  39           H        GLY  39  13.646  -1.443  12.341
  276   1HA   GLY  39          1HA       GLY  39  13.500  -3.251  13.865
  277   2HA   GLY  39          2HA       GLY  39  14.817  -2.570  14.799
  278    H    LYS  40           H        LYS  40  12.975   0.062  13.833
  279    HA   LYS  40           HA       LYS  40  11.481  -0.018  16.357
  280   1HB   LYS  40          1HB       LYS  40  11.773   2.279  16.560
  281   2HB   LYS  40          2HB       LYS  40  13.316   1.738  15.930
  282   1HG   LYS  40          1HG       LYS  40  12.476   2.290  13.588
  283   2HG   LYS  40          2HG       LYS  40  11.037   2.975  14.317
  284   1HD   LYS  40          1HD       LYS  40  13.025   4.233  15.778
  285   2HD   LYS  40          2HD       LYS  40  13.809   4.060  14.219
  286   1HE   LYS  40          1HE       LYS  40  12.701   6.016  13.737
  287   2HE   LYS  40          2HE       LYS  40  11.364   4.941  13.380
  288   1HZ   LYS  40          1HZ       LYS  40  11.828   6.256  16.004
  289   2HZ   LYS  40          2HZ       LYS  40  10.685   6.683  14.926
  290    H    GLU  41           H        GLU  41   9.265   0.261  16.370
  291    HA   GLU  41           HA       GLU  41   8.085   0.344  13.709
  292   1HB   GLU  41          1HB       GLU  41   7.329  -1.008  16.287
  293   2HB   GLU  41          2HB       GLU  41   6.027  -0.505  15.228
  294   1HG   GLU  41          1HG       GLU  41   6.383  -2.345  13.957
  295   2HG   GLU  41          2HG       GLU  41   7.960  -1.717  13.524
  296    H    ASP  42           H        ASP  42   6.304   1.765  13.271
  297    HA   ASP  42           HA       ASP  42   5.262   3.397  15.308
  298   1HB   ASP  42          1HB       ASP  42   7.574   4.429  14.814
  299   2HB   ASP  42          2HB       ASP  42   6.970   4.813  13.215
  300    H    TYR  43           H        TYR  43   3.764   5.158  14.196
  301    HA   TYR  43           HA       TYR  43   2.708   3.958  11.737
  302   1HB   TYR  43          1HB       TYR  43   1.575   5.939  13.810
  303   2HB   TYR  43          2HB       TYR  43   0.645   5.224  12.509
  304    HD1  TYR  43           HD1      TYR  43   2.171   2.428  12.963
  305    HD2  TYR  43           HD2      TYR  43  -0.074   5.094  15.444
  306    HE1  TYR  43           HE1      TYR  43   1.537   0.491  14.484
  307    HE2  TYR  43           HE2      TYR  43  -0.700   3.149  16.956
  308    HH   TYR  43           HH       TYR  43   0.121   0.992  17.544
  309    H    ARG  44           H        ARG  44   3.941   4.951  10.111
  310    HA   ARG  44           HA       ARG  44   3.587   7.839  10.028
  311   1HB   ARG  44          1HB       ARG  44   6.044   6.320  10.024
  312   2HB   ARG  44          2HB       ARG  44   5.871   7.043   8.437
  313   1HG   ARG  44          1HG       ARG  44   5.701   9.274   9.361
  314   2HG   ARG  44          2HG       ARG  44   5.482   8.662  10.988
  315   1HD   ARG  44          1HD       ARG  44   7.997   7.809   9.589
  316   2HD   ARG  44          2HD       ARG  44   7.893   9.504  10.023
  317    HE   ARG  44           HE       ARG  44   7.148   7.651  12.187
  318   1HH1  ARG  44          2HH2      ARG  44   9.775   9.494  10.684
  319   2HH1  ARG  44          1HH2      ARG  44  10.764   9.482  12.106
  320    HH2  ARG  44           HH1      ARG  44   9.967   8.384  14.081
  321    H    LYS  45           H        LYS  45   4.163   8.558   7.530
  322    HA   LYS  45           HA       LYS  45   2.308   6.996   5.942
  323   1HB   LYS  45          1HB       LYS  45   3.596   9.708   5.529
  324   2HB   LYS  45          2HB       LYS  45   2.520   8.950   4.372
  325   1HG   LYS  45          1HG       LYS  45   0.933  10.134   5.564
  326   2HG   LYS  45          2HG       LYS  45   0.950   8.686   6.550
  327   1HD   LYS  45          1HD       LYS  45   1.855   9.779   8.337
  328   2HD   LYS  45          2HD       LYS  45   3.070  10.567   7.350
  329   1HE   LYS  45          1HE       LYS  45   1.222  12.159   6.535
  330   2HE   LYS  45          2HE       LYS  45   0.180  11.459   7.758
  331   1HZ   LYS  45          1HZ       LYS  45   1.758  13.535   8.253
  332   2HZ   LYS  45          2HZ       LYS  45   1.349  12.478   9.422
  333    H    CYS  46           H        CYS  46   2.845   5.762   4.172
  334    HA   CYS  46           HA       CYS  46   5.418   4.781   3.992
  335   1HB   CYS  46          1HB       CYS  46   3.535   4.738   1.653
  336   2HB   CYS  46          2HB       CYS  46   4.688   3.523   2.168
  337    H    GLY  47           H        GLY  47   3.638   7.226   1.979
  338   1HA   GLY  47          1HA       GLY  47   5.936   7.800   0.352
  339   2HA   GLY  47          2HA       GLY  47   4.389   8.622   0.354
  340    H    THR  48           H        THR  48   6.908   8.054   2.920
  341    HA   THR  48           HA       THR  48   6.688  10.881   3.626
  342    HB   THR  48           HB       THR  48   7.641   8.324   4.951
  343    HG1  THR  48           HG1      THR  48   5.984  10.681   5.507
  344   1HG2  THR  48          3HG2      THR  48   9.428  10.106   5.351
  345   2HG2  THR  48          1HG2      THR  48   8.146  11.153   6.007
  346   3HG2  THR  48          2HG2      THR  48   8.549   9.622   6.821
  347    H    ALA  49           H        ALA  49   8.211  12.389   3.242
  348    HA   ALA  49           HA       ALA  49  10.148  11.949   1.328
  349   1HB   ALA  49          3HB       ALA  49   9.068  14.124   2.317
  350   2HB   ALA  49          1HB       ALA  49  10.432  14.069   3.460
  351   3HB   ALA  49          2HB       ALA  49  10.740  14.180   1.710
  352    H    GLY  50           H        GLY  50  11.682  10.364   1.533
  353   1HA   GLY  50          1HA       GLY  50  13.966  10.188   2.422
  354   2HA   GLY  50          2HA       GLY  50  13.285  10.402   4.022
  355    H    CYS  51           H        CYS  51  10.868   8.724   2.594
  356    HA   CYS  51           HA       CYS  51  12.062   6.170   3.378
  357   1HB   CYS  51          1HB       CYS  51   9.183   7.120   3.441
  358   2HB   CYS  51          2HB       CYS  51   9.647   5.445   3.672
  359    H    HIS  52           H        HIS  52   9.002   6.582   1.592
  360    HA   HIS  52           HA       HIS  52  10.287   5.277  -0.687
  361   1HB   HIS  52          1HB       HIS  52   7.419   5.290   0.281
  362   2HB   HIS  52          2HB       HIS  52   7.903   4.650  -1.277
  363    HD1  HIS  52           HD1      HIS  52   9.873   2.671  -1.081
  364    HD2  HIS  52           HD2      HIS  52   7.502   3.440   2.293
  365    HE1  HIS  52           HE1      HIS  52  10.086   0.622   0.424
  366    H    ASP  53           H        ASP  53  11.158   7.440  -1.316
  367    HA   ASP  53           HA       ASP  53   9.090   8.864  -2.782
  368   1HB   ASP  53          1HB       ASP  53   9.505  10.394  -1.031
  369   2HB   ASP  53          2HB       ASP  53  11.194   9.947  -0.904
  370    H    SER  54           H        SER  54   9.988   7.418  -4.553
  371    HA   SER  54           HA       SER  54  12.679   8.171  -5.342
  372   1HB   SER  54          1HB       SER  54  11.722   5.692  -5.109
  373   2HB   SER  54          2HB       SER  54  11.087   6.003  -6.713
  374    HG   SER  54           HG       SER  54  13.801   6.710  -6.308
  375    H    MET  55           H        MET  55   9.250   8.009  -6.423
  376    HA   MET  55           HA       MET  55   8.179   8.913  -8.086
  377   1HB   MET  55          1HB       MET  55  10.212  10.904  -7.255
  378   2HB   MET  55          2HB       MET  55   9.704  11.151  -8.914
  379   1HG   MET  55          1HG       MET  55   8.025  12.364  -7.881
  380   2HG   MET  55          2HG       MET  55   7.253  10.792  -7.826
  381   1HE   MET  55          1HE       MET  55   7.489   9.151  -6.031
  382   2HE   MET  55          2HE       MET  55   7.429   9.604  -4.311
  383   3HE   MET  55          3HE       MET  55   6.132  10.122  -5.413
  384    H    ASP  56           H        ASP  56  10.105   6.844  -8.777
  385    HA   ASP  56           HA       ASP  56  10.945   7.793 -11.401
  386   1HB   ASP  56          1HB       ASP  56  12.380   6.429  -9.415
  387   2HB   ASP  56          2HB       ASP  56  11.935   5.146 -10.523
  388    H    LYS  57           H        LYS  57   9.178   5.341  -9.480
  389    HA   LYS  57           HA       LYS  57   7.596   3.895 -10.022
  390   1HB   LYS  57          1HB       LYS  57   6.709   5.733 -11.443
  391   2HB   LYS  57          2HB       LYS  57   7.640   5.122 -12.795
  392   1HG   LYS  57          1HG       LYS  57   6.032   3.019 -11.470
  393   2HG   LYS  57          2HG       LYS  57   5.050   4.326 -12.101
  394   1HD   LYS  57          1HD       LYS  57   5.614   3.883 -14.313
  395   2HD   LYS  57          2HD       LYS  57   7.221   3.313 -13.908
  396   1HE   LYS  57          1HE       LYS  57   6.161   1.229 -12.902
  397   2HE   LYS  57          2HE       LYS  57   4.607   1.789 -13.485
  398   1HZ   LYS  57          1HZ       LYS  57   5.128   1.140 -15.569
  399   2HZ   LYS  57          2HZ       LYS  57   6.610   1.814 -15.543
  400    H    LYS  58           H        LYS  58   9.720   4.177 -12.964
  401    HA   LYS  58           HA       LYS  58   9.885   1.286 -13.027
  402   1HB   LYS  58          1HB       LYS  58  10.900   1.585 -15.191
  403   2HB   LYS  58          2HB       LYS  58   9.458   2.575 -15.092
  404   1HG   LYS  58          1HG       LYS  58  11.750   4.094 -14.124
  405   2HG   LYS  58          2HG       LYS  58  12.114   3.427 -15.703
  406   1HD   LYS  58          1HD       LYS  58   9.649   4.307 -16.285
  407   2HD   LYS  58          2HD       LYS  58   9.937   5.369 -14.920
  408   1HE   LYS  58          1HE       LYS  58  12.237   5.887 -16.103
  409   2HE   LYS  58          2HE       LYS  58  11.486   5.196 -17.527
  410   1HZ   LYS  58          1HZ       LYS  58  11.216   7.735 -16.987
  411   2HZ   LYS  58          2HZ       LYS  58   9.969   6.918 -17.641
  412    H    ASP  59           H        ASP  59  10.950   1.485 -10.765
  413    HA   ASP  59           HA       ASP  59  13.795   1.455 -11.270
  414   1HB   ASP  59          1HB       ASP  59  13.318   3.695 -10.321
  415   2HB   ASP  59          2HB       ASP  59  12.443   2.968  -8.988
  416    H    LYS  60           H        LYS  60  11.133   1.086  -8.809
  417    HA   LYS  60           HA       LYS  60  10.608  -0.559  -7.431
  418   1HB   LYS  60          1HB       LYS  60  12.558  -2.257  -9.019
  419   2HB   LYS  60          2HB       LYS  60  11.375  -2.855  -7.872
  420   1HG   LYS  60          1HG       LYS  60   9.594  -2.505  -9.304
  421   2HG   LYS  60          2HG       LYS  60  10.285  -1.047  -9.988
  422   1HD   LYS  60          1HD       LYS  60  12.061  -2.691 -11.059
  423   2HD   LYS  60          2HD       LYS  60  10.873  -3.932 -10.715
  424   1HE   LYS  60          1HE       LYS  60   9.744  -1.501 -12.011
  425   2HE   LYS  60          2HE       LYS  60  10.905  -2.364 -13.000
  426   1HZ   LYS  60          1HZ       LYS  60   9.281  -4.312 -11.890
  427   2HZ   LYS  60          2HZ       LYS  60   8.252  -3.134 -12.344
  428    H    SER  61           H        SER  61  13.360  -2.498  -7.217
  429    HA   SER  61           HA       SER  61  14.984  -2.688  -5.789
  430   1HB   SER  61          1HB       SER  61  15.806  -0.528  -6.725
  431   2HB   SER  61          2HB       SER  61  14.870   0.350  -5.532
  432    HG   SER  61           HG       SER  61  16.296  -1.395  -4.111
  433    H    ALA  62           H        ALA  62  13.337   0.213  -4.336
  434    HA   ALA  62           HA       ALA  62  11.821  -1.203  -2.483
  435   1HB   ALA  62          1HB       ALA  62  14.494  -1.436  -1.848
  436   2HB   ALA  62          2HB       ALA  62  14.013  -0.009  -0.900
  437   3HB   ALA  62          3HB       ALA  62  13.155  -1.553  -0.683
  438    H    LYS  63           H        LYS  63  13.852   1.696  -3.159
  439    HA   LYS  63           HA       LYS  63  12.300   3.458  -1.615
  440   1HB   LYS  63          1HB       LYS  63  14.259   3.848  -3.885
  441   2HB   LYS  63          2HB       LYS  63  13.459   5.193  -3.096
  442   1HG   LYS  63          1HG       LYS  63  14.647   3.216  -1.214
  443   2HG   LYS  63          2HG       LYS  63  15.821   4.024  -2.234
  444   1HD   LYS  63          1HD       LYS  63  14.697   6.245  -1.559
  445   2HD   LYS  63          2HD       LYS  63  13.796   5.332  -0.365
  446   1HE   LYS  63          1HE       LYS  63  16.557   4.562  -0.109
  447   2HE   LYS  63          2HE       LYS  63  16.518   6.311  -0.207
  448   1HZ   LYS  63          1HZ       LYS  63  14.776   4.771   1.639
  449   2HZ   LYS  63          2HZ       LYS  63  16.210   5.399   2.088
  450    H    GLY  64           H        GLY  64  11.781   1.870  -4.675
  451   1HA   GLY  64          1HA       GLY  64  10.154   3.749  -5.970
  452   2HA   GLY  64          2HA       GLY  64  10.138   2.012  -6.201
  453    H    TYR  65           H        TYR  65   8.572   4.763  -4.692
  454    HA   TYR  65           HA       TYR  65   7.024   3.497  -2.770
  455   1HB   TYR  65          1HB       TYR  65   7.210   5.947  -3.027
  456   2HB   TYR  65          2HB       TYR  65   6.677   5.868  -4.694
  457    HD1  TYR  65           HD1      TYR  65   5.454   5.101  -1.232
  458    HD2  TYR  65           HD2      TYR  65   4.454   6.355  -5.199
  459    HE1  TYR  65           HE1      TYR  65   3.062   5.549  -0.496
  460    HE2  TYR  65           HE2      TYR  65   2.065   6.798  -4.449
  461    HH   TYR  65           HH       TYR  65   1.028   7.412  -2.018
  462    H    TYR  66           H        TYR  66   6.531   3.897  -6.318
  463    HA   TYR  66           HA       TYR  66   3.908   2.754  -6.219
  464   1HB   TYR  66          1HB       TYR  66   4.397   4.302  -8.007
  465   2HB   TYR  66          2HB       TYR  66   6.009   3.655  -8.239
  466    HD1  TYR  66           HD1      TYR  66   6.243   1.339  -9.321
  467    HD2  TYR  66           HD2      TYR  66   2.589   3.565  -9.343
  468    HE1  TYR  66           HE1      TYR  66   5.393  -0.061 -11.266
  469    HE2  TYR  66           HE2      TYR  66   1.752   2.158 -11.288
  470    HH   TYR  66           HH       TYR  66   2.122   0.434 -12.548
  471    H    HIS  67           H        HIS  67   6.923   1.407  -5.714
  472    HA   HIS  67           HA       HIS  67   6.298  -1.015  -7.209
  473   1HB   HIS  67          1HB       HIS  67   8.482  -0.676  -7.670
  474   2HB   HIS  67          2HB       HIS  67   8.760   0.287  -6.233
  475    HD1  HIS  67           HD1      HIS  67   8.954  -3.216  -7.540
  476    HD2  HIS  67           HD2      HIS  67   9.490  -1.200  -3.900
  477    HE1  HIS  67           HE1      HIS  67  10.140  -4.853  -5.983
  478    H    VAL  68           H        VAL  68   6.252   0.422  -4.016
  479    HA   VAL  68           HA       VAL  68   6.075  -2.198  -2.754
  480    HB   VAL  68           HB       VAL  68   5.912  -0.683  -0.681
  481   1HG1  VAL  68          1HG1      VAL  68   7.905  -2.017  -1.410
  482   2HG1  VAL  68          2HG1      VAL  68   8.484  -0.582  -2.290
  483   3HG1  VAL  68          3HG1      VAL  68   8.311  -0.530  -0.520
  484   1HG2  VAL  68          2HG2      VAL  68   5.395   1.373  -2.090
  485   2HG2  VAL  68          3HG2      VAL  68   6.652   1.567  -0.845
  486   3HG2  VAL  68          1HG2      VAL  68   7.114   1.372  -2.553
  487    H    MET  69           H        MET  69   4.055  -0.507  -4.605
  488    HA   MET  69           HA       MET  69   1.805  -0.938  -2.794
  489   1HB   MET  69          1HB       MET  69   2.076   1.001  -5.160
  490   2HB   MET  69          2HB       MET  69   0.634   0.826  -4.179
  491   1HG   MET  69          1HG       MET  69   3.315   1.518  -2.912
  492   2HG   MET  69          2HG       MET  69   2.290   2.765  -3.595
  493   1HE   MET  69          1HE       MET  69   3.269   1.000  -0.588
  494   2HE   MET  69          2HE       MET  69   3.121   2.772  -0.524
  495   3HE   MET  69          3HE       MET  69   2.136   1.757   0.557
  496    H    HIS  70           H        HIS  70   3.432  -1.950  -5.641
  497    HA   HIS  70           HA       HIS  70   1.043  -3.435  -6.431
  498   1HB   HIS  70          1HB       HIS  70   3.009  -2.296  -8.425
  499   2HB   HIS  70          2HB       HIS  70   1.484  -3.093  -8.755
  500    HD1  HIS  70           HD1      HIS  70   2.828   0.141  -7.240
  501    HD2  HIS  70           HD2      HIS  70  -0.716  -1.422  -8.850
  502    HE1  HIS  70           HE1      HIS  70   1.209   2.103  -7.446
  503    H    ASP  71           H        ASP  71   4.600  -3.143  -7.156
  504    HA   ASP  71           HA       ASP  71   5.163  -5.576  -7.941
  505   1HB   ASP  71          1HB       ASP  71   6.655  -3.493  -7.051
  506   2HB   ASP  71          2HB       ASP  71   6.896  -4.573  -5.692
  507    H    LYS  72           H        LYS  72   5.427  -7.696  -7.028
  508    HA   LYS  72           HA       LYS  72   4.421  -7.951  -4.284
  509   1HB   LYS  72          1HB       LYS  72   4.476 -10.144  -6.358
  510   2HB   LYS  72          2HB       LYS  72   3.546 -10.067  -4.875
  511   1HG   LYS  72          1HG       LYS  72   2.225  -8.161  -5.777
  512   2HG   LYS  72          2HG       LYS  72   3.183  -8.171  -7.244
  513   1HD   LYS  72          1HD       LYS  72   2.430 -10.738  -7.342
  514   2HD   LYS  72          2HD       LYS  72   1.132 -10.182  -6.304
  515   1HE   LYS  72          1HE       LYS  72   0.293  -9.967  -8.542
  516   2HE   LYS  72          2HE       LYS  72   0.678  -8.335  -8.033
  517   1HZ   LYS  72          1HZ       LYS  72   1.617  -8.662 -10.193
  518   2HZ   LYS  72          2HZ       LYS  72   2.884  -8.658  -9.169
  519    H    ASN  73           H        ASN  73   7.052  -8.712  -6.565
  520    HA   ASN  73           HA       ASN  73   8.341 -10.525  -4.877
  521   1HB   ASN  73          1HB       ASN  73   9.050  -8.920  -7.328
  522   2HB   ASN  73          2HB       ASN  73  10.393  -9.545  -6.391
  523   1HD2  ASN  73          1HD2      ASN  73  10.186 -11.877  -5.715
  524   2HD2  ASN  73          2HD2      ASN  73   9.614 -13.009  -6.895
  525    H    THR  74           H        THR  74   7.850  -8.884  -2.922
  526    HA   THR  74           HA       THR  74  10.252  -7.214  -2.592
  527    HB   THR  74           HB       THR  74   8.753  -5.616  -1.347
  528    HG1  THR  74           HG1      THR  74   7.186  -7.475  -0.958
  529   1HG2  THR  74          2HG2      THR  74   8.604  -6.163  -4.223
  530   2HG2  THR  74          3HG2      THR  74   7.042  -5.563  -3.616
  531   3HG2  THR  74          1HG2      THR  74   8.518  -4.597  -3.381
  532    H    LYS  75           H        LYS  75  11.013  -6.973  -0.390
  533    HA   LYS  75           HA       LYS  75  10.981  -9.438   0.956
  534   1HB   LYS  75          1HB       LYS  75  12.903  -7.943   0.986
  535   2HB   LYS  75          2HB       LYS  75  11.975  -6.701   1.801
  536   1HG   LYS  75          1HG       LYS  75  11.585  -8.956   3.427
  537   2HG   LYS  75          2HG       LYS  75  13.253  -9.119   2.916
  538   1HD   LYS  75          1HD       LYS  75  12.750  -6.341   3.599
  539   2HD   LYS  75          2HD       LYS  75  12.187  -7.356   4.912
  540   1HE   LYS  75          1HE       LYS  75  14.808  -8.220   3.833
  541   2HE   LYS  75          2HE       LYS  75  14.838  -6.588   4.471
  542   1HZ   LYS  75          1HZ       LYS  75  14.930  -7.525   6.497
  543   2HZ   LYS  75          2HZ       LYS  75  13.412  -8.084   6.314
  544    H    PHE  76           H        PHE  76   8.920  -6.591   1.058
  545    HA   PHE  76           HA       PHE  76   7.595  -7.723   3.431
  546   1HB   PHE  76          1HB       PHE  76   7.817  -4.884   2.250
  547   2HB   PHE  76          2HB       PHE  76   6.808  -5.266   3.631
  548    HD1  PHE  76           HD2      PHE  76   8.069  -6.436   5.657
  549    HD2  PHE  76           HD1      PHE  76   9.983  -4.112   2.618
  550    HE1  PHE  76           HE2      PHE  76  10.044  -6.024   7.205
  551    HE2  PHE  76           HE1      PHE  76  11.951  -3.708   4.175
  552    HZ   PHE  76           HZ       PHE  76  11.896  -4.748   6.494
  553    H    LYS  77           H        LYS  77   5.226  -7.532   3.490
  554    HA   LYS  77           HA       LYS  77   4.080  -8.319   1.053
  555   1HB   LYS  77          1HB       LYS  77   3.196  -7.865   3.842
  556   2HB   LYS  77          2HB       LYS  77   1.946  -7.686   2.627
  557   1HG   LYS  77          1HG       LYS  77   1.816  -9.933   2.368
  558   2HG   LYS  77          2HG       LYS  77   3.516 -10.016   1.949
  559   1HD   LYS  77          1HD       LYS  77   2.615  -9.792   4.847
  560   2HD   LYS  77          2HD       LYS  77   2.706 -11.346   4.043
  561   1HE   LYS  77          1HE       LYS  77   5.096  -9.495   3.900
  562   2HE   LYS  77          2HE       LYS  77   4.804 -10.379   5.384
  563   1HZ   LYS  77          1HZ       LYS  77   4.890 -12.445   4.160
  564   2HZ   LYS  77          2HZ       LYS  77   4.978 -11.685   2.722
  565    H    SER  78           H        SER  78   3.272  -7.166  -0.624
  566    HA   SER  78           HA       SER  78   3.182  -4.295  -0.236
  567   1HB   SER  78          1HB       SER  78   3.549  -4.069  -2.551
  568   2HB   SER  78          2HB       SER  78   4.502  -5.482  -2.141
  569    HG   SER  78           HG       SER  78   3.242  -5.881  -4.038
  570    H    CYS  79           H        CYS  79   1.334  -3.075  -1.284
  571    HA   CYS  79           HA       CYS  79  -1.073  -3.799  -0.341
  572   1HB   CYS  79          1HB       CYS  79  -0.659  -2.280  -2.923
  573   2HB   CYS  79          2HB       CYS  79  -2.069  -2.220  -1.884
  574    H    VAL  80           H        VAL  80  -0.156  -4.084  -3.861
  575    HA   VAL  80           HA       VAL  80  -2.288  -5.798  -4.464
  576    HB   VAL  80           HB       VAL  80   0.345  -5.275  -5.856
  577   1HG1  VAL  80          2HG1      VAL  80  -1.358  -7.375  -6.383
  578   2HG1  VAL  80          3HG1      VAL  80  -1.945  -6.118  -7.498
  579   3HG1  VAL  80          1HG1      VAL  80  -0.241  -6.631  -7.551
  580   1HG2  VAL  80          2HG2      VAL  80  -1.199  -3.313  -5.455
  581   2HG2  VAL  80          3HG2      VAL  80  -0.818  -3.649  -7.161
  582   3HG2  VAL  80          1HG2      VAL  80  -2.392  -4.136  -6.488
  583    H    GLY  81           H        GLY  81   1.067  -6.333  -3.341
  584   1HA   GLY  81          1HA       GLY  81   1.396  -9.008  -3.899
  585   2HA   GLY  81          2HA       GLY  81   2.065  -8.170  -2.513
  586    H    CYS  82           H        CYS  82   0.143  -7.604  -0.778
  587    HA   CYS  82           HA       CYS  82  -0.596 -10.091   0.243
  588   1HB   CYS  82          1HB       CYS  82  -0.191  -8.106   1.646
  589   2HB   CYS  82          2HB       CYS  82  -1.617  -7.329   0.986
  590    H    HIS  83           H        HIS  83  -2.370  -7.489  -1.540
  591    HA   HIS  83           HA       HIS  83  -4.902  -8.518  -1.353
  592   1HB   HIS  83          1HB       HIS  83  -3.481  -6.830  -3.393
  593   2HB   HIS  83          2HB       HIS  83  -5.122  -7.363  -3.700
  594    HD1  HIS  83           HD1      HIS  83  -5.943  -4.869  -3.552
  595    HD2  HIS  83           HD2      HIS  83  -4.277  -6.382  -0.012
  596    HE1  HIS  83           HE1      HIS  83  -6.574  -3.225  -1.705
  597    H    VAL  84           H        VAL  84  -2.261  -9.306  -3.684
  598    HA   VAL  84           HA       VAL  84  -3.743 -10.971  -5.333
  599    HB   VAL  84           HB       VAL  84  -0.823 -10.945  -4.561
  600   1HG1  VAL  84          3HG1      VAL  84  -2.316 -12.638  -6.555
  601   2HG1  VAL  84          1HG1      VAL  84  -0.629 -12.160  -6.861
  602   3HG1  VAL  84          2HG1      VAL  84  -1.038 -13.102  -5.407
  603   1HG2  VAL  84          1HG2      VAL  84  -2.381  -9.176  -6.098
  604   2HG2  VAL  84          2HG2      VAL  84  -0.605  -9.245  -5.990
  605   3HG2  VAL  84          3HG2      VAL  84  -1.455 -10.143  -7.271
  606    H    GLU  85           H        GLU  85  -2.152 -11.540  -2.170
  607    HA   GLU  85           HA       GLU  85  -2.581 -14.332  -2.296
  608   1HB   GLU  85          1HB       GLU  85  -1.424 -12.375  -0.399
  609   2HB   GLU  85          2HB       GLU  85  -2.214 -13.725   0.391
  610   1HG   GLU  85          1HG       GLU  85  -0.663 -14.735  -1.844
  611   2HG   GLU  85          2HG       GLU  85   0.358 -13.686  -0.882
  612    H    VAL  86           H        VAL  86  -4.350 -11.490  -1.061
  613    HA   VAL  86           HA       VAL  86  -6.210 -13.018   0.459
  614    HB   VAL  86           HB       VAL  86  -6.276 -10.182  -0.590
  615   1HG1  VAL  86          1HG1      VAL  86  -8.509 -11.292   0.060
  616   2HG1  VAL  86          2HG1      VAL  86  -7.892 -11.248   1.729
  617   3HG1  VAL  86          3HG1      VAL  86  -8.103  -9.734   0.817
  618   1HG2  VAL  86          3HG2      VAL  86  -4.538 -11.252   1.250
  619   2HG2  VAL  86          1HG2      VAL  86  -5.025  -9.542   1.168
  620   3HG2  VAL  86          2HG2      VAL  86  -5.855 -10.650   2.286
  621    H    ALA  87           H        ALA  87  -6.324 -11.308  -2.744
  622    HA   ALA  87           HA       ALA  87  -8.915 -12.201  -3.359
  623   1HB   ALA  87          3HB       ALA  87  -7.628 -10.247  -4.355
  624   2HB   ALA  87          1HB       ALA  87  -6.701 -11.438  -5.298
  625   3HB   ALA  87          2HB       ALA  87  -8.459 -11.289  -5.534
  626    H    GLY  88           H        GLY  88  -5.770 -13.743  -3.373
  627   1HA   GLY  88          1HA       GLY  88  -5.023 -15.679  -4.306
  628   2HA   GLY  88          2HA       GLY  88  -6.497 -16.294  -3.587
  629    H    ALA  89           H        ALA  89  -7.795 -17.432  -4.952
  630    HA   ALA  89           HA       ALA  89  -7.508 -16.896  -7.815
  631   1HB   ALA  89          3HB       ALA  89  -8.446 -19.270  -6.176
  632   2HB   ALA  89          1HB       ALA  89  -8.731 -19.157  -7.930
  633   3HB   ALA  89          2HB       ALA  89  -7.067 -19.173  -7.297
  634    H    ASP  90           H        ASP  90  -8.796 -14.860  -7.495
  635    HA   ASP  90           HA       ASP  90 -11.549 -15.508  -7.922
  636   1HB   ASP  90          1HB       ASP  90 -11.181 -15.108  -5.385
  637   2HB   ASP  90          2HB       ASP  90 -10.827 -13.443  -5.799
  638    H    ALA  91           H        ALA  91 -11.201 -14.599 -10.046
  639    HA   ALA  91           HA       ALA  91  -9.766 -12.472 -10.799
  640   1HB   ALA  91          2HB       ALA  91 -11.225 -14.015 -12.196
  641   2HB   ALA  91          3HB       ALA  91 -12.604 -12.978 -11.762
  642   3HB   ALA  91          1HB       ALA  91 -11.241 -12.304 -12.687
  643    H    ALA  92           H        ALA  92 -13.175 -12.313  -9.550
  644    HA   ALA  92           HA       ALA  92 -13.662  -9.684  -9.696
  645   1HB   ALA  92          2HB       ALA  92 -14.455 -11.918  -7.971
  646   2HB   ALA  92          3HB       ALA  92 -14.559 -10.349  -7.137
  647   3HB   ALA  92          1HB       ALA  92 -15.441 -10.606  -8.661
  648    H    LYS  93           H        LYS  93 -12.131 -11.190  -6.755
  649    HA   LYS  93           HA       LYS  93 -11.343  -8.701  -5.718
  650   1HB   LYS  93          1HB       LYS  93 -10.700 -11.575  -5.106
  651   2HB   LYS  93          2HB       LYS  93  -9.802 -10.292  -4.321
  652   1HG   LYS  93          1HG       LYS  93 -12.238  -9.285  -3.870
  653   2HG   LYS  93          2HG       LYS  93 -12.747 -10.943  -4.118
  654   1HD   LYS  93          1HD       LYS  93 -10.441 -10.356  -2.240
  655   2HD   LYS  93          2HD       LYS  93 -12.086 -10.111  -1.689
  656   1HE   LYS  93          1HE       LYS  93 -12.641 -12.479  -2.294
  657   2HE   LYS  93          2HE       LYS  93 -10.994 -12.723  -2.841
  658   1HZ   LYS  93          1HZ       LYS  93 -11.671 -13.309  -0.393
  659   2HZ   LYS  93          2HZ       LYS  93 -10.201 -12.670  -0.682
  660    H    LYS  94           H        LYS  94  -9.878 -11.003  -7.999
  661    HA   LYS  94           HA       LYS  94  -7.273  -9.906  -7.836
  662   1HB   LYS  94          1HB       LYS  94  -8.426 -12.164  -8.933
  663   2HB   LYS  94          2HB       LYS  94  -8.019 -11.224 -10.355
  664   1HG   LYS  94          1HG       LYS  94  -5.697 -11.125  -9.776
  665   2HG   LYS  94          2HG       LYS  94  -6.000 -11.580  -8.111
  666   1HD   LYS  94          1HD       LYS  94  -5.583 -13.732  -8.688
  667   2HD   LYS  94          2HD       LYS  94  -7.068 -13.720  -9.619
  668   1HE   LYS  94          1HE       LYS  94  -5.273 -12.404 -11.316
  669   2HE   LYS  94          2HE       LYS  94  -4.263 -13.618 -10.558
  670   1HZ   LYS  94          1HZ       LYS  94  -6.452 -15.057 -11.147
  671   2HZ   LYS  94          2HZ       LYS  94  -6.484 -13.996 -12.383
  672    H    LYS  95           H        LYS  95 -10.197  -8.603  -8.910
  673    HA   LYS  95           HA       LYS  95  -8.730  -6.760 -10.663
  674   1HB   LYS  95          1HB       LYS  95 -10.560  -8.521 -11.608
  675   2HB   LYS  95          2HB       LYS  95 -11.620  -7.191 -11.191
  676   1HG   LYS  95          1HG       LYS  95 -10.545  -5.686 -12.677
  677   2HG   LYS  95          2HG       LYS  95  -9.068  -6.627 -12.723
  678   1HD   LYS  95          1HD       LYS  95 -10.993  -8.425 -13.691
  679   2HD   LYS  95          2HD       LYS  95 -11.511  -6.892 -14.363
  680   1HE   LYS  95          1HE       LYS  95  -9.978  -7.408 -16.003
  681   2HE   LYS  95          2HE       LYS  95  -8.844  -6.690 -14.876
  682   1HZ   LYS  95          1HZ       LYS  95  -8.837  -9.164 -13.953
  683   2HZ   LYS  95          2HZ       LYS  95  -9.252  -9.518 -15.488
  684    H    ASP  96           H        ASP  96 -10.262  -7.240  -7.729
  685    HA   ASP  96           HA       ASP  96 -11.242  -4.496  -7.722
  686   1HB   ASP  96          1HB       ASP  96 -12.263  -7.008  -6.619
  687   2HB   ASP  96          2HB       ASP  96 -12.055  -5.827  -5.340
  688    H    LEU  97           H        LEU  97  -9.074  -6.940  -6.327
  689    HA   LEU  97           HA       LEU  97  -8.196  -5.023  -4.293
  690   1HB   LEU  97          1HB       LEU  97  -7.904  -8.018  -4.513
  691   2HB   LEU  97          2HB       LEU  97  -7.053  -7.049  -3.327
  692    HG   LEU  97           HG       LEU  97 -10.039  -7.470  -3.564
  693   1HD1  LEU  97          2HD1      LEU  97  -8.568  -9.225  -2.474
  694   2HD1  LEU  97          3HD1      LEU  97  -8.231  -8.022  -1.206
  695   3HD1  LEU  97          1HD1      LEU  97  -9.899  -8.581  -1.483
  696   1HD2  LEU  97          2HD2      LEU  97  -8.520  -5.301  -2.218
  697   2HD2  LEU  97          3HD2      LEU  97 -10.172  -5.317  -2.879
  698   3HD2  LEU  97          1HD2      LEU  97  -9.841  -6.055  -1.294
  699    H    THR  98           H        THR  98  -7.315  -6.785  -7.233
  700    HA   THR  98           HA       THR  98  -4.725  -5.391  -7.162
  701    HB   THR  98           HB       THR  98  -3.654  -7.398  -8.011
  702    HG1  THR  98           HG1      THR  98  -5.238  -9.264  -8.378
  703   1HG2  THR  98          1HG2      THR  98  -5.715  -8.166  -5.879
  704   2HG2  THR  98          2HG2      THR  98  -4.363  -9.210  -6.379
  705   3HG2  THR  98          3HG2      THR  98  -4.037  -7.648  -5.588
  706    H    GLY  99           H        GLY  99  -7.512  -4.848  -8.339
  707   1HA   GLY  99          1HA       GLY  99  -7.247  -5.191 -11.159
  708   2HA   GLY  99          2HA       GLY  99  -8.412  -4.198 -10.306
  709    H    CYS 100           H        CYS 100  -6.631  -3.688 -12.749
  710    HA   CYS 100           HA       CYS 100  -4.801  -1.687 -11.824
  711   1HB   CYS 100          1HB       CYS 100  -5.588  -2.770 -14.512
  712   2HB   CYS 100          2HB       CYS 100  -4.684  -1.273 -14.396
  713    H    LYS 101           H        LYS 101  -7.752  -1.773 -13.967
  714    HA   LYS 101           HA       LYS 101  -8.325   0.954 -13.034
  715   1HB   LYS 101          1HB       LYS 101  -7.495   0.741 -15.435
  716   2HB   LYS 101          2HB       LYS 101  -8.984  -0.112 -15.788
  717   1HG   LYS 101          1HG       LYS 101 -10.225   1.907 -14.745
  718   2HG   LYS 101          2HG       LYS 101  -8.688   2.747 -14.774
  719   1HD   LYS 101          1HD       LYS 101  -8.841   1.703 -17.358
  720   2HD   LYS 101          2HD       LYS 101 -10.515   2.088 -17.012
  721   1HE   LYS 101          1HE       LYS 101 -10.121   4.310 -17.261
  722   2HE   LYS 101          2HE       LYS 101  -8.836   4.266 -16.071
  723   1HZ   LYS 101          1HZ       LYS 101  -7.270   3.672 -17.761
  724   2HZ   LYS 101          2HZ       LYS 101  -8.423   3.392 -18.876
  725    H    LYS 102           H        LYS 102 -10.496   1.435 -12.533
  726    HA   LYS 102           HA       LYS 102 -12.567   1.028 -11.885
  727   1HB   LYS 102          1HB       LYS 102 -12.351  -1.153 -13.965
  728   2HB   LYS 102          2HB       LYS 102 -13.814  -0.899 -13.035
  729   1HG   LYS 102          1HG       LYS 102 -12.637   1.574 -14.225
  730   2HG   LYS 102          2HG       LYS 102 -13.229   0.405 -15.389
  731   1HD   LYS 102          1HD       LYS 102 -15.138   1.732 -14.948
  732   2HD   LYS 102          2HD       LYS 102 -15.396   0.322 -13.941
  733   1HE   LYS 102          1HE       LYS 102 -13.888   2.643 -12.741
  734   2HE   LYS 102          2HE       LYS 102 -15.618   2.821 -12.960
  735   1HZ   LYS 102          1HZ       LYS 102 -14.901   1.808 -10.780
  736   2HZ   LYS 102          2HZ       LYS 102 -16.009   0.926 -11.586
  737    H    SER 103           H        SER 103 -10.613   0.346 -10.122
  738    HA   SER 103           HA       SER 103 -11.663  -2.151  -9.041
  739   1HB   SER 103          1HB       SER 103  -9.160  -1.939  -7.892
  740   2HB   SER 103          2HB       SER 103  -9.549  -2.951  -9.269
  741    HG   SER 103           HG       SER 103  -8.686  -0.194  -9.491
  742    H    LYS 104           H        LYS 104 -10.551  -2.092  -6.494
  743    HA   LYS 104           HA       LYS 104 -12.074   0.007  -5.297
  744   1HB   LYS 104          1HB       LYS 104 -10.317  -2.155  -4.100
  745   2HB   LYS 104          2HB       LYS 104 -11.333  -1.067  -3.178
  746   1HG   LYS 104          1HG       LYS 104 -12.661  -2.527  -5.439
  747   2HG   LYS 104          2HG       LYS 104 -12.179  -3.500  -4.064
  748   1HD   LYS 104          1HD       LYS 104 -13.358  -1.228  -2.888
  749   2HD   LYS 104          2HD       LYS 104 -14.366  -1.539  -4.288
  750   1HE   LYS 104          1HE       LYS 104 -13.577  -3.760  -2.355
  751   2HE   LYS 104          2HE       LYS 104 -14.990  -2.760  -2.084
  752   1HZ   LYS 104          1HZ       LYS 104 -15.283  -3.515  -4.675
  753   2HZ   LYS 104          2HZ       LYS 104 -14.622  -4.854  -4.026
  754    H    CYS 105           H        CYS 105  -8.704  -0.572  -6.186
  755    HA   CYS 105           HA       CYS 105  -7.749   1.523  -4.473
  756   1HB   CYS 105          1HB       CYS 105  -6.374  -0.148  -6.601
  757   2HB   CYS 105          2HB       CYS 105  -5.565   1.078  -5.644
  758    H    HIS 106           H        HIS 106  -7.773   0.897  -8.068
  759    HA   HIS 106           HA       HIS 106  -7.762   3.790  -8.445
  760   1HB   HIS 106          1HB       HIS 106  -7.109   1.514 -10.336
  761   2HB   HIS 106          2HB       HIS 106  -7.140   3.204 -10.799
  762    HD1  HIS 106           HD1      HIS 106  -5.541   4.695  -8.839
  763    HD2  HIS 106           HD2      HIS 106  -4.538   0.760  -9.887
  764    HE1  HIS 106           HE1      HIS 106  -3.075   4.406  -8.253
  765    H    GLU 107           H        GLU 107  -9.378   4.849  -9.656
  766    HA   GLU 107           HA       GLU 107 -11.596   3.135 -10.444
  767   1HB   GLU 107          1HB       GLU 107 -11.720   5.703  -8.814
  768   2HB   GLU 107          2HB       GLU 107 -13.120   5.047  -9.639
  769   1HG   GLU 107          1HG       GLU 107 -12.719   2.849  -8.396
  770   2HG   GLU 107          2HG       GLU 107 -11.472   3.664  -7.472
  771    HHA  HEC 108           HHA      HEC 108  -0.858   6.599   7.490
  772    HHB  HEC 108           HHB      HEC 108  -1.748   3.997  13.282
  773    HHC  HEC 108           HHC      HEC 108  -2.564  -1.758  10.586
  774    HHD  HEC 108           HHD      HEC 108  -1.186   0.782   4.817
  775   1HMA  HEC 108          1HMA      HEC 108  -0.904   5.992  13.514
  776   2HMA  HEC 108          2HMA      HEC 108  -0.725   7.562  12.695
  777   3HMA  HEC 108          3HMA      HEC 108  -2.348   6.903  13.010
  778   1HAA  HEC 108          1HAA      HEC 108  -0.592   8.022   8.802
  779   2HAA  HEC 108          2HAA      HEC 108  -1.683   8.535  10.112
  780   1HBA  HEC 108          1HBA      HEC 108   0.733   7.823  11.363
  781   2HBA  HEC 108          2HBA      HEC 108   1.179   8.756   9.914
  782   1HMB  HEC 108          1HMB      HEC 108  -2.502   0.897  15.184
  783   2HMB  HEC 108          2HMB      HEC 108  -1.992   2.561  14.809
  784   3HMB  HEC 108          3HMB      HEC 108  -3.708   2.105  14.678
  785    HAB  HEC 108           HAB      HEC 108  -3.287  -1.866  12.442
  786   1HBB  HEC 108          1HBB      HEC 108  -4.043  -0.756  15.089
  787   2HBB  HEC 108          2HBB      HEC 108  -4.941  -0.160  13.673
  788   3HBB  HEC 108          3HBB      HEC 108  -4.897  -1.903  14.030
  789   1HMC  HEC 108          1HMC      HEC 108  -3.392  -3.432   7.411
  790   2HMC  HEC 108          2HMC      HEC 108  -1.763  -3.701   8.076
  791   3HMC  HEC 108          3HMC      HEC 108  -3.075  -3.132   9.136
  792    HAC  HEC 108           HAC      HEC 108  -2.046  -1.106   4.492
  793   1HBC  HEC 108          1HBC      HEC 108  -2.506  -3.865   5.555
  794   2HBC  HEC 108          2HBC      HEC 108  -3.828  -2.674   5.610
  795   3HBC  HEC 108          3HBC      HEC 108  -3.081  -3.103   4.052
  796   1HMD  HEC 108          1HMD      HEC 108  -1.396   2.930   3.037
  797   2HMD  HEC 108          2HMD      HEC 108   0.113   3.873   3.061
  798   3HMD  HEC 108          3HMD      HEC 108   0.130   2.154   3.522
  799   1HAD  HEC 108          1HAD      HEC 108  -0.533   6.808   5.519
  800   2HAD  HEC 108          2HAD      HEC 108   0.860   6.002   4.759
  801   1HBD  HEC 108          1HBD      HEC 108  -1.344   5.271   3.196
  802   2HBD  HEC 108          2HBD      HEC 108  -1.579   6.995   3.571
  803    HHA  HEC 109           HHA      HEC 109  11.660  -2.296   1.557
  804    HHB  HEC 109           HHB      HEC 109   5.285  -1.658   1.299
  805    HHC  HEC 109           HHC      HEC 109   5.619   3.310   5.337
  806    HHD  HEC 109           HHD      HEC 109  12.080   3.265   4.722
  807   1HMA  HEC 109          1HMA      HEC 109   7.184  -4.005  -0.812
  808   2HMA  HEC 109          2HMA      HEC 109   6.526  -4.502   0.765
  809   3HMA  HEC 109          3HMA      HEC 109   5.845  -3.090  -0.079
  810   1HAA  HEC 109          1HAA      HEC 109  10.929  -3.925   0.643
  811   2HAA  HEC 109          2HAA      HEC 109   9.475  -4.885   0.280
  812   1HBA  HEC 109          1HBA      HEC 109   9.196  -3.575  -1.815
  813   2HBA  HEC 109          2HBA      HEC 109  10.736  -2.755  -1.461
  814   1HMB  HEC 109          1HMB      HEC 109   2.380  -0.382   3.285
  815   2HMB  HEC 109          2HMB      HEC 109   2.824   0.013   1.607
  816   3HMB  HEC 109          3HMB      HEC 109   3.402  -1.499   2.348
  817    HAB  HEC 109           HAB      HEC 109   3.723   2.733   5.266
  818   1HBB  HEC 109          1HBB      HEC 109   1.935   1.644   6.082
  819   2HBB  HEC 109          2HBB      HEC 109   1.466   0.991   4.494
  820   3HBB  HEC 109          3HBB      HEC 109   2.763   0.210   5.430
  821   1HMC  HEC 109          1HMC      HEC 109   8.088   5.944   6.851
  822   2HMC  HEC 109          2HMC      HEC 109   6.719   5.586   5.772
  823   3HMC  HEC 109          3HMC      HEC 109   6.929   4.663   7.279
  824    HAC  HEC 109           HAC      HEC 109  11.631   4.828   5.805
  825   1HBC  HEC 109          1HBC      HEC 109  11.602   5.620   7.960
  826   2HBC  HEC 109          2HBC      HEC 109   9.851   5.941   7.940
  827   3HBC  HEC 109          3HBC      HEC 109  10.448   4.269   8.071
  828   1HMD  HEC 109          1HMD      HEC 109  14.658   2.205   2.876
  829   2HMD  HEC 109          2HMD      HEC 109  13.908   2.629   4.433
  830   3HMD  HEC 109          3HMD      HEC 109  14.863   1.135   4.284
  831   1HAD  HEC 109          1HAD      HEC 109  13.625  -1.938   1.944
  832   2HAD  HEC 109          2HAD      HEC 109  14.294  -0.487   1.162
  833   1HBD  HEC 109          1HBD      HEC 109  14.902  -0.842   4.046
  834   2HBD  HEC 109          2HBD      HEC 109  15.660  -1.982   2.908
  835    HHA  HEC 110           HHA      HEC 110 -10.229  -4.781   0.873
  836    HHB  HEC 110           HHB      HEC 110  -6.415   0.093  -0.800
  837    HHC  HEC 110           HHC      HEC 110  -1.482  -2.790   2.089
  838    HHD  HEC 110           HHD      HEC 110  -5.180  -7.924   3.266
  839   1HMA  HEC 110          1HMA      HEC 110  -8.157   0.346  -1.738
  840   2HMA  HEC 110          2HMA      HEC 110  -9.631  -0.462  -2.326
  841   3HMA  HEC 110          3HMA      HEC 110  -9.673   0.481  -0.816
  842   1HAA  HEC 110          1HAA      HEC 110 -11.269  -1.892  -1.365
  843   2HAA  HEC 110          2HAA      HEC 110 -11.139  -3.624  -0.974
  844   1HBA  HEC 110          1HBA      HEC 110 -12.358  -3.351   0.854
  845   2HBA  HEC 110          2HBA      HEC 110 -11.278  -2.068   1.450
  846   1HMB  HEC 110          1HMB      HEC 110  -3.944   0.718  -1.947
  847   2HMB  HEC 110          2HMB      HEC 110  -4.645   1.553  -0.540
  848   3HMB  HEC 110          3HMB      HEC 110  -2.878   1.450  -0.725
  849    HAB  HEC 110           HAB      HEC 110  -0.766  -1.171   1.168
  850   1HBB  HEC 110          1HBB      HEC 110  -2.040   1.265   1.406
  851   2HBB  HEC 110          2HBB      HEC 110  -0.303   0.955   1.635
  852   3HBB  HEC 110          3HBB      HEC 110  -0.905   1.525   0.060
  853   1HMC  HEC 110          1HMC      HEC 110  -0.094  -6.270   2.503
  854   2HMC  HEC 110          2HMC      HEC 110  -0.198  -4.510   2.260
  855   3HMC  HEC 110          3HMC      HEC 110  -0.345  -5.193   3.898
  856    HAC  HEC 110           HAC      HEC 110  -3.250  -8.123   4.314
  857   1HBC  HEC 110          1HBC      HEC 110  -1.138  -8.568   5.131
  858   2HBC  HEC 110          2HBC      HEC 110  -0.321  -7.838   3.728
  859   3HBC  HEC 110          3HBC      HEC 110  -1.102  -6.798   4.943
  860   1HMD  HEC 110          1HMD      HEC 110  -7.706  -9.514   2.766
  861   2HMD  HEC 110          2HMD      HEC 110  -6.940  -8.716   4.160
  862   3HMD  HEC 110          3HMD      HEC 110  -8.714  -8.796   4.046
  863   1HAD  HEC 110          1HAD      HEC 110 -10.412  -8.049   2.857
  864   2HAD  HEC 110          2HAD      HEC 110 -10.895  -6.340   2.728
  865   1HBD  HEC 110          1HBD      HEC 110 -11.638  -6.631   0.657
  866   2HBD  HEC 110          2HBD      HEC 110 -10.128  -7.423   0.146
  867    HHA  HEC 111           HHA      HEC 111   0.325   5.440  -7.797
  868    HHB  HEC 111           HHB      HEC 111  -0.732   1.919 -13.050
  869    HHC  HEC 111           HHC      HEC 111  -3.409  -2.672  -9.473
  870    HHD  HEC 111           HHD      HEC 111  -3.045   1.242  -4.318
  871   1HMA  HEC 111          1HMA      HEC 111   1.149   5.255 -12.973
  872   2HMA  HEC 111          2HMA      HEC 111   1.309   3.511 -13.293
  873   3HMA  HEC 111          3HMA      HEC 111  -0.243   4.332 -13.587
  874   1HAA  HEC 111          1HAA      HEC 111   0.487   6.844 -10.808
  875   2HAA  HEC 111          2HAA      HEC 111   1.243   6.333  -9.280
  876   1HBA  HEC 111          1HBA      HEC 111   3.244   6.173 -10.230
  877   2HBA  HEC 111          2HBA      HEC 111   2.611   5.214 -11.590
  878   1HMB  HEC 111          1HMB      HEC 111  -1.784  -0.067 -14.457
  879   2HMB  HEC 111          2HMB      HEC 111  -0.115  -0.339 -13.902
  880   3HMB  HEC 111          3HMB      HEC 111  -1.203  -1.723 -14.161
  881    HAB  HEC 111           HAB      HEC 111  -3.441  -3.271 -11.497
  882   1HBB  HEC 111          1HBB      HEC 111  -1.769  -4.654 -11.040
  883   2HBB  HEC 111          2HBB      HEC 111  -1.287  -4.526 -12.749
  884   3HBB  HEC 111          3HBB      HEC 111  -0.552  -3.453 -11.534
  885   1HMC  HEC 111          1HMC      HEC 111  -5.798  -2.823  -6.935
  886   2HMC  HEC 111          2HMC      HEC 111  -4.489  -3.479  -7.948
  887   3HMC  HEC 111          3HMC      HEC 111  -4.423  -3.663  -6.178
  888    HAC  HEC 111           HAC      HEC 111  -3.922  -0.453  -3.724
  889   1HBC  HEC 111          1HBC      HEC 111  -4.175  -2.522  -2.807
  890   2HBC  HEC 111          2HBC      HEC 111  -5.070  -3.163  -4.206
  891   3HBC  HEC 111          3HBC      HEC 111  -3.304  -2.963  -4.295
  892   1HMD  HEC 111          1HMD      HEC 111  -2.765   3.401  -3.156
  893   2HMD  HEC 111          2HMD      HEC 111  -1.241   2.520  -2.892
  894   3HMD  HEC 111          3HMD      HEC 111  -1.249   4.300  -2.910
  895   1HAD  HEC 111          1HAD      HEC 111   0.522   5.290  -4.177
  896   2HAD  HEC 111          2HAD      HEC 111   0.647   5.865  -5.857
  897   1HBD  HEC 111          1HBD      HEC 111  -1.638   6.860  -5.599
  898   2HBD  HEC 111          2HBD      HEC 111  -1.561   6.435  -3.872
   
  No H/Q in entry =         898
  Start of MODEL   13
    1   1H    ALA   1          1H        ALA   1   1.700   2.923  22.204
    2   2H    ALA   1          2H        ALA   1   0.935   4.387  22.096
    3    HA   ALA   1           HA       ALA   1   1.184   3.581  19.958
    4   1HB   ALA   1          1HB       ALA   1   1.145   1.121  21.143
    5   2HB   ALA   1          2HB       ALA   1  -0.478   1.161  20.415
    6   3HB   ALA   1          3HB       ALA   1   0.961   1.385  19.392
    7    HA   PRO   2           HA       PRO   2  -2.779   5.464  19.858
    8   1HB   PRO   2          1HB       PRO   2  -2.426   6.838  17.522
    9   2HB   PRO   2          2HB       PRO   2  -1.937   7.463  19.084
   10   1HG   PRO   2          1HG       PRO   2  -0.253   6.352  16.924
   11   2HG   PRO   2          2HG       PRO   2   0.222   7.353  18.282
   12   1HD   PRO   2          1HD       PRO   2   0.617   4.525  18.013
   13   2HD   PRO   2          2HD       PRO   2   0.986   5.506  19.417
   14    H    LYS   3           H        LYS   3  -4.766   5.418  18.613
   15    HA   LYS   3           HA       LYS   3  -4.943   2.868  17.335
   16   1HB   LYS   3          1HB       LYS   3  -6.778   4.935  18.361
   17   2HB   LYS   3          2HB       LYS   3  -7.358   4.117  16.924
   18   1HG   LYS   3          1HG       LYS   3  -8.122   2.807  18.793
   19   2HG   LYS   3          2HG       LYS   3  -6.815   1.896  18.062
   20   1HD   LYS   3          1HD       LYS   3  -5.888   1.823  20.139
   21   2HD   LYS   3          2HD       LYS   3  -5.455   3.503  19.889
   22   1HE   LYS   3          1HE       LYS   3  -6.919   4.195  21.483
   23   2HE   LYS   3          2HE       LYS   3  -8.243   3.335  20.722
   24   1HZ   LYS   3          1HZ       LYS   3  -7.936   2.349  22.844
   25   2HZ   LYS   3          2HZ       LYS   3  -7.285   1.270  21.813
   26    H    ALA   4           H        ALA   4  -6.422   2.926  15.169
   27    HA   ALA   4           HA       ALA   4  -4.697   3.953  13.198
   28   1HB   ALA   4          1HB       ALA   4  -7.330   2.525  13.321
   29   2HB   ALA   4          2HB       ALA   4  -6.888   3.324  11.793
   30   3HB   ALA   4          3HB       ALA   4  -5.826   2.074  12.483
   31    HA   PRO   5           HA       PRO   5  -6.326   7.921  12.645
   32   1HB   PRO   5          1HB       PRO   5  -5.627   8.443  10.056
   33   2HB   PRO   5          2HB       PRO   5  -4.507   8.577  11.396
   34   1HG   PRO   5          1HG       PRO   5  -4.685   6.467   9.334
   35   2HG   PRO   5          2HG       PRO   5  -3.348   6.849  10.401
   36   1HD   PRO   5          1HD       PRO   5  -5.188   4.664  10.668
   37   2HD   PRO   5          2HD       PRO   5  -3.924   5.115  11.796
   38    H    ALA   6           H        ALA   6  -7.791   9.374  11.324
   39    HA   ALA   6           HA       ALA   6 -10.239   8.116  11.125
   40   1HB   ALA   6          2HB       ALA   6  -9.037  10.726  10.485
   41   2HB   ALA   6          3HB       ALA   6 -10.412  10.309   9.435
   42   3HB   ALA   6          1HB       ALA   6 -10.620  10.344  11.203
   43    H    ASP   7           H        ASP   7 -11.533   8.441   8.825
   44    HA   ASP   7           HA       ASP   7 -10.097   6.635   7.087
   45   1HB   ASP   7          1HB       ASP   7 -12.950   7.544   6.643
   46   2HB   ASP   7          2HB       ASP   7 -12.215   6.013   6.214
   47    H    GLY   8           H        GLY   8 -11.017   7.095   4.577
   48   1HA   GLY   8          1HA       GLY   8 -11.111   8.495   2.803
   49   2HA   GLY   8          2HA       GLY   8 -11.302   9.856   3.890
   50    H    LEU   9           H        LEU   9  -8.601   7.785   4.646
   51    HA   LEU   9           HA       LEU   9  -6.787   9.901   3.996
   52   1HB   LEU   9          1HB       LEU   9  -6.454   8.747   6.033
   53   2HB   LEU   9          2HB       LEU   9  -6.508   7.179   5.252
   54    HG   LEU   9           HG       LEU   9  -4.233   7.978   5.995
   55   1HD1  LEU   9          3HD1      LEU   9  -4.870   6.295   4.059
   56   2HD1  LEU   9          1HD1      LEU   9  -4.107   7.540   3.041
   57   3HD1  LEU   9          2HD1      LEU   9  -3.183   6.777   4.358
   58   1HD2  LEU   9          3HD2      LEU   9  -4.756  10.363   5.085
   59   2HD2  LEU   9          1HD2      LEU   9  -3.103   9.713   4.970
   60   3HD2  LEU   9          2HD2      LEU   9  -4.163   9.707   3.540
   61    H    LYS  10           H        LYS  10  -6.605  10.222   1.793
   62    HA   LYS  10           HA       LYS  10  -5.913   7.845   0.219
   63   1HB   LYS  10          1HB       LYS  10  -6.765   8.956  -1.692
   64   2HB   LYS  10          2HB       LYS  10  -7.954   9.171  -0.423
   65   1HG   LYS  10          1HG       LYS  10  -5.799  11.265  -0.840
   66   2HG   LYS  10          2HG       LYS  10  -7.208  11.248  -1.881
   67   1HD   LYS  10          1HD       LYS  10  -8.401  11.005   0.597
   68   2HD   LYS  10          2HD       LYS  10  -6.994  11.967   1.006
   69   1HE   LYS  10          1HE       LYS  10  -7.792  13.280  -1.259
   70   2HE   LYS  10          2HE       LYS  10  -9.344  12.675  -0.714
   71   1HZ   LYS  10          1HZ       LYS  10  -9.348  14.210   0.909
   72   2HZ   LYS  10          2HZ       LYS  10  -7.898  13.742   1.484
   73    H    MET  11           H        MET  11  -4.255   8.243  -1.548
   74    HA   MET  11           HA       MET  11  -2.230  10.057  -0.481
   75   1HB   MET  11          1HB       MET  11  -1.704   7.584  -2.201
   76   2HB   MET  11          2HB       MET  11  -0.555   8.446  -1.197
   77   1HG   MET  11          1HG       MET  11  -1.109   7.214   0.637
   78   2HG   MET  11          2HG       MET  11  -2.817   7.542   0.422
   79   1HE   MET  11          2HE       MET  11   0.173   5.524  -0.233
   80   2HE   MET  11          3HE       MET  11  -0.718   4.440   0.862
   81   3HE   MET  11          1HE       MET  11  -0.396   3.941  -0.816
   82    H    GLU  12           H        GLU  12  -1.407  11.618  -1.843
   83    HA   GLU  12           HA       GLU  12  -2.039  11.290  -4.669
   84   1HB   GLU  12          1HB       GLU  12  -3.623  12.913  -3.958
   85   2HB   GLU  12          2HB       GLU  12  -2.484  13.699  -2.884
   86   1HG   GLU  12          1HG       GLU  12  -1.493  13.691  -5.649
   87   2HG   GLU  12          2HG       GLU  12  -3.078  14.433  -5.549
   88    H    ALA  13           H        ALA  13   0.295  10.346  -4.300
   89    HA   ALA  13           HA       ALA  13   2.240  12.540  -4.290
   90   1HB   ALA  13          2HB       ALA  13   2.451  10.661  -2.616
   91   2HB   ALA  13          3HB       ALA  13   2.707   9.550  -3.983
   92   3HB   ALA  13          1HB       ALA  13   3.868  10.863  -3.675
   93    H    THR  14           H        THR  14   0.543  10.251  -6.277
   94    HA   THR  14           HA       THR  14   2.400  10.864  -8.479
   95    HB   THR  14           HB       THR  14   2.260   8.590  -9.215
   96    HG1  THR  14           HG1      THR  14   0.034   8.619  -7.309
   97   1HG2  THR  14          3HG2      THR  14   3.481   8.844  -6.932
   98   2HG2  THR  14          1HG2      THR  14   1.984   8.224  -6.196
   99   3HG2  THR  14          2HG2      THR  14   2.898   7.212  -7.340
  100    H    LYS  15           H        LYS  15   1.109  10.112 -10.656
  101    HA   LYS  15           HA       LYS  15  -1.014  12.006 -10.768
  102   1HB   LYS  15          1HB       LYS  15   0.698  11.547 -12.572
  103   2HB   LYS  15          2HB       LYS  15  -0.132  10.038 -12.896
  104   1HG   LYS  15          1HG       LYS  15  -2.295  11.580 -13.036
  105   2HG   LYS  15          2HG       LYS  15  -1.135  12.869 -13.285
  106   1HD   LYS  15          1HD       LYS  15  -0.533  10.493 -14.932
  107   2HD   LYS  15          2HD       LYS  15  -2.129  11.138 -15.258
  108   1HE   LYS  15          1HE       LYS  15  -1.206  13.366 -15.717
  109   2HE   LYS  15          2HE       LYS  15   0.390  12.863 -15.197
  110   1HZ   LYS  15          1HZ       LYS  15   0.477  11.317 -17.058
  111   2HZ   LYS  15          2HZ       LYS  15  -1.045  11.675 -17.513
  112    H    GLN  16           H        GLN  16  -0.856   8.895  -9.540
  113    HA   GLN  16           HA       GLN  16  -3.700   8.572 -10.062
  114   1HB   GLN  16          1HB       GLN  16  -1.732   6.248  -9.948
  115   2HB   GLN  16          2HB       GLN  16  -3.440   6.163 -10.330
  116   1HG   GLN  16          1HG       GLN  16  -1.826   8.025 -12.032
  117   2HG   GLN  16          2HG       GLN  16  -1.465   6.321 -12.223
  118   1HE2  GLN  16          2HE2      GLN  16  -4.825   5.422 -13.261
  119   2HE2  GLN  16          1HE2      GLN  16  -3.576   4.921 -12.170
  120    HA   PRO  17           HA       PRO  17  -3.058   8.513  -5.639
  121   1HB   PRO  17          1HB       PRO  17  -5.372   9.803  -4.969
  122   2HB   PRO  17          2HB       PRO  17  -3.859  10.638  -5.261
  123   1HG   PRO  17          1HG       PRO  17  -6.242  10.457  -7.001
  124   2HG   PRO  17          2HG       PRO  17  -4.918  11.604  -7.068
  125   1HD   PRO  17          1HD       PRO  17  -5.326   9.350  -8.795
  126   2HD   PRO  17          2HD       PRO  17  -3.944  10.428  -8.787
  127    H    VAL  18           H        VAL  18  -4.554   7.807  -3.727
  128    HA   VAL  18           HA       VAL  18  -6.576   5.971  -4.620
  129    HB   VAL  18           HB       VAL  18  -3.971   5.007  -3.431
  130   1HG1  VAL  18          3HG1      VAL  18  -6.693   3.736  -3.512
  131   2HG1  VAL  18          1HG1      VAL  18  -5.242   2.718  -3.675
  132   3HG1  VAL  18          2HG1      VAL  18  -5.466   3.722  -2.222
  133   1HG2  VAL  18          1HG2      VAL  18  -5.392   4.542  -6.060
  134   2HG2  VAL  18          2HG2      VAL  18  -3.737   5.134  -5.774
  135   3HG2  VAL  18          3HG2      VAL  18  -4.143   3.432  -5.448
  136    H    VAL  19           H        VAL  19  -7.981   5.356  -2.900
  137    HA   VAL  19           HA       VAL  19  -7.504   6.922  -0.465
  138    HB   VAL  19           HB       VAL  19 -10.027   5.956  -1.817
  139   1HG1  VAL  19          1HG1      VAL  19  -9.563   6.490   0.976
  140   2HG1  VAL  19          2HG1      VAL  19 -10.661   7.720   0.306
  141   3HG1  VAL  19          3HG1      VAL  19 -11.063   5.992   0.157
  142   1HG2  VAL  19          2HG2      VAL  19  -8.514   8.227  -2.268
  143   2HG2  VAL  19          3HG2      VAL  19 -10.236   8.022  -2.670
  144   3HG2  VAL  19          1HG2      VAL  19  -9.766   8.798  -1.138
  145    H    PHE  20           H        PHE  20  -6.843   5.785   1.276
  146    HA   PHE  20           HA       PHE  20  -7.315   2.906   1.271
  147   1HB   PHE  20          1HB       PHE  20  -5.052   4.176   1.667
  148   2HB   PHE  20          2HB       PHE  20  -5.741   4.743   3.174
  149    HD1  PHE  20           HD2      PHE  20  -5.276   1.485   1.356
  150    HD2  PHE  20           HD1      PHE  20  -5.184   3.569   5.091
  151    HE1  PHE  20           HE2      PHE  20  -4.478  -0.628   2.523
  152    HE2  PHE  20           HE1      PHE  20  -4.386   1.448   6.246
  153    HZ   PHE  20           HZ       PHE  20  -4.035  -0.640   4.839
  154    H    ASN  21           H        ASN  21  -7.502   2.071   3.749
  155    HA   ASN  21           HA       ASN  21  -9.123   3.751   5.353
  156   1HB   ASN  21          1HB       ASN  21 -10.353   1.313   3.968
  157   2HB   ASN  21          2HB       ASN  21 -11.082   2.089   5.359
  158   1HD2  ASN  21          2HD2      ASN  21 -11.118   3.822   1.616
  159   2HD2  ASN  21          1HD2      ASN  21 -10.090   2.488   2.017
  160    H    HIS  22           H        HIS  22  -8.460   3.175   7.429
  161    HA   HIS  22           HA       HIS  22  -7.045   0.721   7.787
  162   1HB   HIS  22          1HB       HIS  22  -7.673   3.117   9.488
  163   2HB   HIS  22          2HB       HIS  22  -7.073   1.654  10.242
  164    HD1  HIS  22           HD1      HIS  22  -6.038   4.438   7.919
  165    HD2  HIS  22           HD2      HIS  22  -4.359   1.052   9.739
  166    HE1  HIS  22           HE1      HIS  22  -3.515   4.622   7.582
  167    H    SER  23           H        SER  23 -10.338   1.804   8.031
  168    HA   SER  23           HA       SER  23 -11.083  -0.035  10.050
  169   1HB   SER  23          1HB       SER  23 -12.379   2.008   9.715
  170   2HB   SER  23          2HB       SER  23 -12.694   1.595   8.041
  171    HG   SER  23           HG       SER  23 -13.921   0.646  10.396
  172    H    THR  24           H        THR  24  -9.952  -0.528   6.975
  173    HA   THR  24           HA       THR  24 -11.788  -2.770   6.456
  174    HB   THR  24           HB       THR  24  -9.972  -1.095   4.648
  175    HG1  THR  24           HG1      THR  24 -12.841  -1.697   4.739
  176   1HG2  THR  24          3HG2      THR  24 -10.800  -3.806   4.261
  177   2HG2  THR  24          1HG2      THR  24 -11.912  -2.805   3.297
  178   3HG2  THR  24          2HG2      THR  24 -10.156  -2.695   3.027
  179    H    HIS  25           H        HIS  25  -8.436  -1.796   7.097
  180    HA   HIS  25           HA       HIS  25  -7.655  -4.593   6.786
  181   1HB   HIS  25          1HB       HIS  25  -5.946  -2.100   7.030
  182   2HB   HIS  25          2HB       HIS  25  -5.343  -3.732   6.816
  183    HD1  HIS  25           HD1      HIS  25  -7.357  -1.077   4.968
  184    HD2  HIS  25           HD2      HIS  25  -5.260  -4.627   4.194
  185    HE1  HIS  25           HE1      HIS  25  -7.234  -1.296   2.428
  186    H    LYS  26           H        LYS  26  -9.352  -3.825   8.980
  187    HA   LYS  26           HA       LYS  26  -7.818  -3.282  11.282
  188   1HB   LYS  26          1HB       LYS  26 -10.555  -4.568  11.060
  189   2HB   LYS  26          2HB       LYS  26  -9.862  -3.838  12.494
  190   1HG   LYS  26          1HG       LYS  26  -9.882  -1.632  11.510
  191   2HG   LYS  26          2HG       LYS  26 -10.181  -2.267   9.904
  192   1HD   LYS  26          1HD       LYS  26 -12.317  -1.508  10.575
  193   2HD   LYS  26          2HD       LYS  26 -12.398  -3.230  10.894
  194   1HE   LYS  26          1HE       LYS  26 -11.748  -2.778  13.297
  195   2HE   LYS  26          2HE       LYS  26 -11.780  -1.059  12.955
  196   1HZ   LYS  26          1HZ       LYS  26 -13.903  -1.757  13.858
  197   2HZ   LYS  26          2HZ       LYS  26 -14.144  -1.326  12.307
  198    H    SER  27           H        SER  27  -8.970  -6.297   9.681
  199    HA   SER  27           HA       SER  27  -8.040  -7.959  11.732
  200   1HB   SER  27          1HB       SER  27  -8.503  -9.784  10.194
  201   2HB   SER  27          2HB       SER  27  -9.777  -8.591  10.037
  202    HG   SER  27           HG       SER  27  -7.830  -7.909   8.282
  203    H    VAL  28           H        VAL  28  -6.435  -6.090   9.339
  204    HA   VAL  28           HA       VAL  28  -4.205  -7.914   9.053
  205    HB   VAL  28           HB       VAL  28  -4.560  -5.080   8.062
  206   1HG1  VAL  28          1HG1      VAL  28  -2.226  -6.119   8.150
  207   2HG1  VAL  28          2HG1      VAL  28  -2.800  -7.252   6.903
  208   3HG1  VAL  28          3HG1      VAL  28  -2.772  -5.503   6.572
  209   1HG2  VAL  28          1HG2      VAL  28  -6.364  -6.717   7.329
  210   2HG2  VAL  28          2HG2      VAL  28  -5.442  -5.930   6.026
  211   3HG2  VAL  28          3HG2      VAL  28  -5.079  -7.611   6.482
  212    H    LYS  29           H        LYS  29  -2.142  -7.616   9.955
  213    HA   LYS  29           HA       LYS  29  -2.150  -6.197  12.429
  214   1HB   LYS  29          1HB       LYS  29  -0.649  -8.302  11.182
  215   2HB   LYS  29          2HB       LYS  29   0.469  -7.071  11.733
  216   1HG   LYS  29          1HG       LYS  29  -0.040  -7.400  13.967
  217   2HG   LYS  29          2HG       LYS  29  -1.728  -7.744  13.646
  218   1HD   LYS  29          1HD       LYS  29   0.011  -9.809  12.488
  219   2HD   LYS  29          2HD       LYS  29   0.304  -9.628  14.207
  220   1HE   LYS  29          1HE       LYS  29  -2.559  -9.745  13.240
  221   2HE   LYS  29          2HE       LYS  29  -1.637 -11.234  13.301
  222   1HZ   LYS  29          1HZ       LYS  29  -1.133 -10.693  15.669
  223   2HZ   LYS  29          2HZ       LYS  29  -2.122  -9.401  15.587
  224    H    CYS  30           H        CYS  30  -0.923  -4.359  13.019
  225    HA   CYS  30           HA       CYS  30  -0.728  -2.427  11.006
  226   1HB   CYS  30          1HB       CYS  30   0.675  -2.225  13.658
  227   2HB   CYS  30          2HB       CYS  30  -0.014  -0.946  12.678
  228    H    GLY  31           H        GLY  31   1.507  -4.795  12.452
  229   1HA   GLY  31          1HA       GLY  31   3.895  -3.598  11.395
  230   2HA   GLY  31          2HA       GLY  31   3.726  -5.167  12.157
  231    H    ASP  32           H        ASP  32   1.270  -5.129   9.910
  232    HA   ASP  32           HA       ASP  32   2.762  -6.812   8.180
  233   1HB   ASP  32          1HB       ASP  32   0.298  -7.079   8.879
  234   2HB   ASP  32          2HB       ASP  32  -0.072  -5.747   7.802
  235    H    CYS  33           H        CYS  33   1.390  -3.499   8.217
  236    HA   CYS  33           HA       CYS  33   2.306  -3.113   5.470
  237   1HB   CYS  33          1HB       CYS  33   0.159  -1.855   7.128
  238   2HB   CYS  33          2HB       CYS  33   0.967  -0.843   5.947
  239    H    HIS  34           H        HIS  34   2.202  -1.507   8.739
  240    HA   HIS  34           HA       HIS  34   4.291   0.284   8.023
  241   1HB   HIS  34          1HB       HIS  34   3.028  -0.358  10.703
  242   2HB   HIS  34          2HB       HIS  34   4.155   0.952  10.414
  243    HD1  HIS  34           HD1      HIS  34   3.300   2.974   8.915
  244    HD2  HIS  34           HD2      HIS  34   0.387   0.127   9.916
  245    HE1  HIS  34           HE1      HIS  34   1.044   4.050   8.405
  246    H    HIS  35           H        HIS  35   5.491  -1.897   7.261
  247    HA   HIS  35           HA       HIS  35   6.606  -3.657   8.953
  248   1HB   HIS  35          1HB       HIS  35   8.412  -3.889   7.359
  249   2HB   HIS  35          2HB       HIS  35   6.888  -3.669   6.522
  250    HD1  HIS  35           HD1      HIS  35   9.879  -1.526   7.610
  251    HD2  HIS  35           HD2      HIS  35   6.963  -1.724   4.601
  252    HE1  HIS  35           HE1      HIS  35  10.448   0.317   5.940
  253    HA   PRO  36           HA       PRO  36   9.217  -1.460  11.611
  254   1HB   PRO  36          1HB       PRO  36  10.933  -3.428  12.418
  255   2HB   PRO  36          2HB       PRO  36   9.325  -3.227  13.083
  256   1HG   PRO  36          1HG       PRO  36  10.297  -5.256  11.166
  257   2HG   PRO  36          2HG       PRO  36   8.851  -5.285  12.155
  258   1HD   PRO  36          1HD       PRO  36   8.999  -4.721   9.346
  259   2HD   PRO  36          2HD       PRO  36   7.571  -4.636  10.359
  260    H    VAL  37           H        VAL  37  10.892  -0.054  11.570
  261    HA   VAL  37           HA       VAL  37  12.980  -0.781   9.639
  262    HB   VAL  37           HB       VAL  37  11.538   1.855   9.963
  263   1HG1  VAL  37          2HG1      VAL  37  14.255   1.281   9.033
  264   2HG1  VAL  37          3HG1      VAL  37  13.269   2.124   7.814
  265   3HG1  VAL  37          1HG1      VAL  37  13.483   2.835   9.431
  266   1HG2  VAL  37          3HG2      VAL  37  11.802  -0.070   7.630
  267   2HG2  VAL  37          1HG2      VAL  37  10.331   0.284   8.568
  268   3HG2  VAL  37          2HG2      VAL  37  11.055   1.543   7.540
  269    H    ASN  38           H        ASN  38  14.889  -0.970  10.679
  270    HA   ASN  38           HA       ASN  38  16.608  -0.320  11.892
  271   1HB   ASN  38          1HB       ASN  38  15.330   2.068  11.885
  272   2HB   ASN  38          2HB       ASN  38  15.056   1.664  13.568
  273   1HD2  ASN  38          2HD2      ASN  38  18.086   3.293  14.198
  274   2HD2  ASN  38          1HD2      ASN  38  16.356   3.332  14.278
  275    H    GLY  39           H        GLY  39  13.619  -1.530  12.796
  276   1HA   GLY  39          1HA       GLY  39  13.443  -3.266  14.378
  277   2HA   GLY  39          2HA       GLY  39  14.659  -2.492  15.375
  278    H    LYS  40           H        LYS  40  12.754   0.015  14.218
  279    HA   LYS  40           HA       LYS  40  11.110  -0.074  16.646
  280   1HB   LYS  40          1HB       LYS  40  11.224   2.261  16.746
  281   2HB   LYS  40          2HB       LYS  40  12.849   1.767  16.315
  282   1HG   LYS  40          1HG       LYS  40  11.747   2.028  13.811
  283   2HG   LYS  40          2HG       LYS  40  10.813   3.227  14.683
  284   1HD   LYS  40          1HD       LYS  40  12.978   4.225  15.541
  285   2HD   LYS  40          2HD       LYS  40  13.862   3.078  14.554
  286   1HE   LYS  40          1HE       LYS  40  13.151   4.069  12.520
  287   2HE   LYS  40          2HE       LYS  40  11.752   4.823  13.257
  288   1HZ   LYS  40          1HZ       LYS  40  13.722   6.002  14.625
  289   2HZ   LYS  40          2HZ       LYS  40  14.502   5.759  13.216
  290    H    GLU  41           H        GLU  41   8.868   0.392  16.528
  291    HA   GLU  41           HA       GLU  41   7.851   0.287  13.794
  292   1HB   GLU  41          1HB       GLU  41   7.363  -1.468  16.047
  293   2HB   GLU  41          2HB       GLU  41   5.861  -0.678  15.611
  294   1HG   GLU  41          1HG       GLU  41   6.696  -1.303  13.115
  295   2HG   GLU  41          2HG       GLU  41   7.567  -2.551  13.984
  296    H    ASP  42           H        ASP  42   6.715   2.080  13.194
  297    HA   ASP  42           HA       ASP  42   5.214   3.432  15.267
  298   1HB   ASP  42          1HB       ASP  42   7.654   4.425  14.298
  299   2HB   ASP  42          2HB       ASP  42   6.469   5.283  13.332
  300    H    TYR  43           H        TYR  43   3.766   5.233  14.074
  301    HA   TYR  43           HA       TYR  43   2.806   4.004  11.586
  302   1HB   TYR  43          1HB       TYR  43   1.541   5.953  13.612
  303   2HB   TYR  43          2HB       TYR  43   0.682   5.189  12.290
  304    HD1  TYR  43           HD1      TYR  43   1.941   2.395  12.614
  305    HD2  TYR  43           HD2      TYR  43   0.219   5.129  15.419
  306    HE1  TYR  43           HE1      TYR  43   1.327   0.456  14.139
  307    HE2  TYR  43           HE2      TYR  43  -0.389   3.180  16.934
  308    HH   TYR  43           HH       TYR  43   0.466  -0.148  16.020
  309    H    ARG  44           H        ARG  44   4.121   5.047  10.042
  310    HA   ARG  44           HA       ARG  44   3.633   7.913   9.923
  311   1HB   ARG  44          1HB       ARG  44   6.079   7.005  10.519
  312   2HB   ARG  44          2HB       ARG  44   6.177   6.712   8.793
  313   1HG   ARG  44          1HG       ARG  44   6.080   8.989   8.251
  314   2HG   ARG  44          2HG       ARG  44   5.168   9.407   9.687
  315   1HD   ARG  44          1HD       ARG  44   7.211   8.993  11.093
  316   2HD   ARG  44          2HD       ARG  44   8.120   8.608   9.644
  317    HE   ARG  44           HE       ARG  44   8.160  10.897   9.056
  318   1HH1  ARG  44          2HH2      ARG  44   5.978  10.389  11.801
  319   2HH1  ARG  44          1HH2      ARG  44   5.820  12.078  12.148
  320    HH2  ARG  44           HH1      ARG  44   6.989  13.670  10.790
  321    H    LYS  45           H        LYS  45   3.690   8.804   7.655
  322    HA   LYS  45           HA       LYS  45   2.280   7.123   5.895
  323   1HB   LYS  45          1HB       LYS  45   3.578   9.834   5.496
  324   2HB   LYS  45          2HB       LYS  45   2.543   9.052   4.317
  325   1HG   LYS  45          1HG       LYS  45   0.911  10.254   5.426
  326   2HG   LYS  45          2HG       LYS  45   0.901   8.832   6.450
  327   1HD   LYS  45          1HD       LYS  45   1.774   9.961   8.235
  328   2HD   LYS  45          2HD       LYS  45   2.981  10.767   7.253
  329   1HE   LYS  45          1HE       LYS  45   1.751  12.660   7.581
  330   2HE   LYS  45          2HE       LYS  45   0.648  12.003   6.388
  331   1HZ   LYS  45          1HZ       LYS  45  -0.448  10.830   8.353
  332   2HZ   LYS  45          2HZ       LYS  45   0.417  11.802   9.332
  333    H    CYS  46           H        CYS  46   2.924   5.876   4.169
  334    HA   CYS  46           HA       CYS  46   5.526   4.933   4.147
  335   1HB   CYS  46          1HB       CYS  46   3.761   4.773   1.725
  336   2HB   CYS  46          2HB       CYS  46   4.901   3.596   2.346
  337    H    GLY  47           H        GLY  47   3.783   7.302   2.021
  338   1HA   GLY  47          1HA       GLY  47   6.101   7.863   0.429
  339   2HA   GLY  47          2HA       GLY  47   4.558   8.695   0.411
  340    H    THR  48           H        THR  48   7.066   8.137   2.991
  341    HA   THR  48           HA       THR  48   6.884  10.990   3.625
  342    HB   THR  48           HB       THR  48   7.556   8.436   5.082
  343    HG1  THR  48           HG1      THR  48   5.528   9.892   5.057
  344   1HG2  THR  48          1HG2      THR  48   8.978  11.045   5.440
  345   2HG2  THR  48          2HG2      THR  48   8.241  10.375   6.915
  346   3HG2  THR  48          3HG2      THR  48   9.439   9.422   6.005
  347    H    ALA  49           H        ALA  49   8.490  12.422   3.274
  348    HA   ALA  49           HA       ALA  49  10.490  11.840   1.467
  349   1HB   ALA  49          1HB       ALA  49   9.444  14.079   2.676
  350   2HB   ALA  49          2HB       ALA  49  11.070  14.006   3.398
  351   3HB   ALA  49          3HB       ALA  49  10.884  14.069   1.629
  352    H    GLY  50           H        GLY  50  12.073  10.337   1.717
  353   1HA   GLY  50          1HA       GLY  50  14.266  10.095   2.765
  354   2HA   GLY  50          2HA       GLY  50  13.483  10.301   4.319
  355    H    CYS  51           H        CYS  51  11.084   8.689   2.951
  356    HA   CYS  51           HA       CYS  51  12.242   6.100   3.652
  357   1HB   CYS  51          1HB       CYS  51   9.382   7.102   3.718
  358   2HB   CYS  51          2HB       CYS  51   9.810   5.414   3.914
  359    H    HIS  52           H        HIS  52   9.223   6.697   1.817
  360    HA   HIS  52           HA       HIS  52  10.490   5.365  -0.461
  361   1HB   HIS  52          1HB       HIS  52   7.619   5.418   0.492
  362   2HB   HIS  52          2HB       HIS  52   8.091   4.811  -1.083
  363    HD1  HIS  52           HD1      HIS  52  10.040   2.796  -0.926
  364    HD2  HIS  52           HD2      HIS  52   7.633   3.500   2.437
  365    HE1  HIS  52           HE1      HIS  52  10.197   0.698   0.518
  366    H    ASP  53           H        ASP  53  11.347   7.750  -0.690
  367    HA   ASP  53           HA       ASP  53   9.335   9.195  -2.230
  368   1HB   ASP  53          1HB       ASP  53  10.460  11.271  -1.618
  369   2HB   ASP  53          2HB       ASP  53  10.096  10.380  -0.154
  370    H    SER  54           H        SER  54  10.433   7.384  -3.784
  371    HA   SER  54           HA       SER  54  12.999   8.286  -4.738
  372   1HB   SER  54          1HB       SER  54  12.435   5.831  -4.382
  373   2HB   SER  54          2HB       SER  54  11.303   5.947  -5.714
  374    HG   SER  54           HG       SER  54  13.325   5.154  -6.477
  375    H    MET  55           H        MET  55   9.612   7.740  -5.917
  376    HA   MET  55           HA       MET  55   8.476   8.603  -7.556
  377   1HB   MET  55          1HB       MET  55  10.336  10.731  -6.744
  378   2HB   MET  55          2HB       MET  55   9.970  10.875  -8.452
  379   1HG   MET  55          1HG       MET  55   8.112  12.007  -7.718
  380   2HG   MET  55          2HG       MET  55   7.449  10.403  -7.474
  381   1HE   MET  55          2HE       MET  55   7.188   9.218  -5.627
  382   2HE   MET  55          3HE       MET  55   7.358   9.705  -3.923
  383   3HE   MET  55          1HE       MET  55   6.044  10.382  -4.916
  384    H    ASP  56           H        ASP  56  10.493   6.606  -8.167
  385    HA   ASP  56           HA       ASP  56  11.508   7.508 -10.723
  386   1HB   ASP  56          1HB       ASP  56  11.986   4.961  -9.107
  387   2HB   ASP  56          2HB       ASP  56  12.707   5.262 -10.675
  388    H    LYS  57           H        LYS  57   9.361   5.111  -9.103
  389    HA   LYS  57           HA       LYS  57   7.714   3.843  -9.844
  390   1HB   LYS  57          1HB       LYS  57   6.898   5.883 -10.926
  391   2HB   LYS  57          2HB       LYS  57   7.873   5.554 -12.343
  392   1HG   LYS  57          1HG       LYS  57   6.185   3.252 -11.565
  393   2HG   LYS  57          2HG       LYS  57   5.245   4.687 -11.925
  394   1HD   LYS  57          1HD       LYS  57   6.776   4.871 -14.065
  395   2HD   LYS  57          2HD       LYS  57   7.168   3.194 -13.739
  396   1HE   LYS  57          1HE       LYS  57   4.252   3.931 -13.701
  397   2HE   LYS  57          2HE       LYS  57   5.045   3.934 -15.264
  398   1HZ   LYS  57          1HZ       LYS  57   5.279   1.624 -13.423
  399   2HZ   LYS  57          2HZ       LYS  57   4.067   1.734 -14.504
  400    H    LYS  58           H        LYS  58   9.492   4.356 -12.966
  401    HA   LYS  58           HA       LYS  58   9.600   1.501 -13.308
  402   1HB   LYS  58          1HB       LYS  58  10.460   2.016 -15.511
  403   2HB   LYS  58          2HB       LYS  58   9.046   2.996 -15.180
  404   1HG   LYS  58          1HG       LYS  58  11.014   4.662 -14.232
  405   2HG   LYS  58          2HG       LYS  58  11.901   3.826 -15.491
  406   1HD   LYS  58          1HD       LYS  58   9.258   4.546 -16.483
  407   2HD   LYS  58          2HD       LYS  58  10.032   5.964 -15.803
  408   1HE   LYS  58          1HE       LYS  58  11.553   6.086 -17.502
  409   2HE   LYS  58          2HE       LYS  58  11.912   4.373 -17.420
  410   1HZ   LYS  58          1HZ       LYS  58   9.428   4.377 -18.483
  411   2HZ   LYS  58          2HZ       LYS  58  10.037   5.738 -19.140
  412    H    ASP  59           H        ASP  59  10.875   1.281 -11.210
  413    HA   ASP  59           HA       ASP  59  13.660   1.270 -11.962
  414   1HB   ASP  59          1HB       ASP  59  12.681   3.273 -10.295
  415   2HB   ASP  59          2HB       ASP  59  13.196   2.064  -9.135
  416    H    LYS  60           H        LYS  60  11.443   0.780  -9.097
  417    HA   LYS  60           HA       LYS  60  11.021  -0.976  -7.827
  418   1HB   LYS  60          1HB       LYS  60  12.125  -2.520 -10.188
  419   2HB   LYS  60          2HB       LYS  60  11.428  -3.286  -8.774
  420   1HG   LYS  60          1HG       LYS  60   9.283  -2.731  -9.368
  421   2HG   LYS  60          2HG       LYS  60   9.734  -1.115  -9.876
  422   1HD   LYS  60          1HD       LYS  60  10.944  -2.886 -11.760
  423   2HD   LYS  60          2HD       LYS  60   9.323  -3.499 -11.505
  424   1HE   LYS  60          1HE       LYS  60   8.936  -0.722 -11.682
  425   2HE   LYS  60          2HE       LYS  60  10.194  -1.027 -12.863
  426   1HZ   LYS  60          1HZ       LYS  60   8.439  -3.047 -13.325
  427   2HZ   LYS  60          2HZ       LYS  60   7.430  -1.829 -12.941
  428    H    SER  61           H        SER  61  12.046  -1.415  -5.948
  429    HA   SER  61           HA       SER  61  14.411  -2.741  -5.741
  430   1HB   SER  61          1HB       SER  61  14.973  -0.182  -6.677
  431   2HB   SER  61          2HB       SER  61  15.194   0.003  -4.949
  432    HG   SER  61           HG       SER  61  16.573  -1.747  -6.766
  433    H    ALA  62           H        ALA  62  13.082   0.321  -4.268
  434    HA   ALA  62           HA       ALA  62  11.830  -0.950  -2.138
  435   1HB   ALA  62          2HB       ALA  62  14.595  -1.070  -1.843
  436   2HB   ALA  62          3HB       ALA  62  14.141   0.357  -0.882
  437   3HB   ALA  62          1HB       ALA  62  13.397  -1.223  -0.536
  438    H    LYS  63           H        LYS  63  13.901   1.921  -2.949
  439    HA   LYS  63           HA       LYS  63  12.309   3.725  -1.498
  440   1HB   LYS  63          1HB       LYS  63  14.261   4.177  -3.775
  441   2HB   LYS  63          2HB       LYS  63  13.575   5.443  -2.778
  442   1HG   LYS  63          1HG       LYS  63  14.676   3.294  -1.114
  443   2HG   LYS  63          2HG       LYS  63  15.889   3.904  -2.223
  444   1HD   LYS  63          1HD       LYS  63  14.258   6.025  -0.915
  445   2HD   LYS  63          2HD       LYS  63  15.226   5.077   0.197
  446   1HE   LYS  63          1HE       LYS  63  17.202   5.952  -0.573
  447   2HE   LYS  63          2HE       LYS  63  16.706   5.856  -2.251
  448   1HZ   LYS  63          1HZ       LYS  63  16.898   8.163  -1.582
  449   2HZ   LYS  63          2HZ       LYS  63  15.323   7.859  -1.863
  450    H    GLY  64           H        GLY  64  11.854   2.063  -4.512
  451   1HA   GLY  64          1HA       GLY  64  10.297   3.970  -5.891
  452   2HA   GLY  64          2HA       GLY  64  10.311   2.235  -6.141
  453    H    TYR  65           H        TYR  65   8.702   4.950  -4.564
  454    HA   TYR  65           HA       TYR  65   7.091   3.693  -2.739
  455   1HB   TYR  65          1HB       TYR  65   7.247   6.151  -3.136
  456   2HB   TYR  65          2HB       TYR  65   6.654   5.960  -4.774
  457    HD1  TYR  65           HD1      TYR  65   5.558   5.198  -1.261
  458    HD2  TYR  65           HD2      TYR  65   4.431   6.484  -5.183
  459    HE1  TYR  65           HE1      TYR  65   3.181   5.599  -0.454
  460    HE2  TYR  65           HE2      TYR  65   2.058   6.881  -4.362
  461    HH   TYR  65           HH       TYR  65   0.690   5.678  -2.160
  462    H    TYR  66           H        TYR  66   6.590   4.086  -6.302
  463    HA   TYR  66           HA       TYR  66   4.056   2.779  -6.229
  464   1HB   TYR  66          1HB       TYR  66   4.528   4.360  -8.009
  465   2HB   TYR  66          2HB       TYR  66   6.143   3.727  -8.251
  466    HD1  TYR  66           HD1      TYR  66   6.411   1.443  -9.357
  467    HD2  TYR  66           HD2      TYR  66   2.695   3.563  -9.290
  468    HE1  TYR  66           HE1      TYR  66   5.557   0.024 -11.287
  469    HE2  TYR  66           HE2      TYR  66   1.855   2.137 -11.219
  470    HH   TYR  66           HH       TYR  66   2.259   0.471 -12.531
  471    H    HIS  67           H        HIS  67   7.111   1.582  -5.650
  472    HA   HIS  67           HA       HIS  67   6.626  -0.881  -7.134
  473   1HB   HIS  67          1HB       HIS  67   8.794  -0.471  -7.590
  474   2HB   HIS  67          2HB       HIS  67   9.011   0.566  -6.194
  475    HD1  HIS  67           HD1      HIS  67   9.700  -2.830  -7.439
  476    HD2  HIS  67           HD2      HIS  67   9.513  -0.922  -3.708
  477    HE1  HIS  67           HE1      HIS  67  10.885  -4.372  -5.787
  478    H    VAL  68           H        VAL  68   6.244   0.588  -4.039
  479    HA   VAL  68           HA       VAL  68   6.235  -2.036  -2.733
  480    HB   VAL  68           HB       VAL  68   6.044  -0.502  -0.663
  481   1HG1  VAL  68          1HG1      VAL  68   8.083  -1.829  -1.676
  482   2HG1  VAL  68          2HG1      VAL  68   8.697  -0.198  -2.038
  483   3HG1  VAL  68          3HG1      VAL  68   8.328  -0.658  -0.358
  484   1HG2  VAL  68          3HG2      VAL  68   5.541   1.558  -1.990
  485   2HG2  VAL  68          1HG2      VAL  68   6.920   1.735  -0.878
  486   3HG2  VAL  68          2HG2      VAL  68   7.205   1.508  -2.620
  487    H    MET  69           H        MET  69   4.201  -0.351  -4.580
  488    HA   MET  69           HA       MET  69   1.955  -0.790  -2.766
  489   1HB   MET  69          1HB       MET  69   2.171   1.101  -5.175
  490   2HB   MET  69          2HB       MET  69   0.771   0.957  -4.131
  491   1HG   MET  69          1HG       MET  69   3.471   1.620  -2.919
  492   2HG   MET  69          2HG       MET  69   2.543   2.884  -3.702
  493   1HE   MET  69          1HE       MET  69   3.605   2.480  -0.830
  494   2HE   MET  69          2HE       MET  69   2.341   2.487   0.424
  495   3HE   MET  69          3HE       MET  69   2.916   0.944  -0.252
  496    H    HIS  70           H        HIS  70   3.580  -1.804  -5.622
  497    HA   HIS  70           HA       HIS  70   1.215  -3.349  -6.365
  498   1HB   HIS  70          1HB       HIS  70   3.111  -2.195  -8.415
  499   2HB   HIS  70          2HB       HIS  70   1.577  -2.995  -8.691
  500    HD1  HIS  70           HD1      HIS  70   2.954   0.243  -7.205
  501    HD2  HIS  70           HD2      HIS  70  -0.614  -1.319  -8.764
  502    HE1  HIS  70           HE1      HIS  70   1.332   2.205  -7.383
  503    H    ASP  71           H        ASP  71   4.747  -2.969  -7.165
  504    HA   ASP  71           HA       ASP  71   5.365  -5.383  -7.951
  505   1HB   ASP  71          1HB       ASP  71   6.794  -3.244  -6.992
  506   2HB   ASP  71          2HB       ASP  71   7.137  -4.419  -5.739
  507    H    LYS  72           H        LYS  72   5.186  -7.489  -7.145
  508    HA   LYS  72           HA       LYS  72   4.415  -7.764  -4.350
  509   1HB   LYS  72          1HB       LYS  72   4.396  -9.879  -6.515
  510   2HB   LYS  72          2HB       LYS  72   3.584  -9.927  -4.963
  511   1HG   LYS  72          1HG       LYS  72   1.768  -8.992  -5.944
  512   2HG   LYS  72          2HG       LYS  72   2.691  -7.518  -6.156
  513   1HD   LYS  72          1HD       LYS  72   3.667  -8.851  -8.283
  514   2HD   LYS  72          2HD       LYS  72   2.156  -9.727  -8.139
  515   1HE   LYS  72          1HE       LYS  72   0.839  -7.744  -8.455
  516   2HE   LYS  72          2HE       LYS  72   2.199  -6.686  -8.136
  517   1HZ   LYS  72          1HZ       LYS  72   1.714  -6.890 -10.530
  518   2HZ   LYS  72          2HZ       LYS  72   3.217  -7.426 -10.207
  519    H    ASN  73           H        ASN  73   7.016  -8.507  -6.664
  520    HA   ASN  73           HA       ASN  73   8.307 -10.356  -5.012
  521   1HB   ASN  73          1HB       ASN  73   9.505  -8.529  -7.162
  522   2HB   ASN  73          2HB       ASN  73  10.247  -9.991  -6.541
  523   1HD2  ASN  73          2HD2      ASN  73   8.588 -12.186  -8.634
  524   2HD2  ASN  73          1HD2      ASN  73   9.814 -11.871  -7.453
  525    H    THR  74           H        THR  74   7.871  -8.753  -3.026
  526    HA   THR  74           HA       THR  74  10.278  -7.086  -2.721
  527    HB   THR  74           HB       THR  74   8.796  -5.521  -1.402
  528    HG1  THR  74           HG1      THR  74   6.479  -6.030  -1.616
  529   1HG2  THR  74          3HG2      THR  74   8.610  -5.996  -4.294
  530   2HG2  THR  74          1HG2      THR  74   7.070  -5.381  -3.648
  531   3HG2  THR  74          2HG2      THR  74   8.569  -4.451  -3.412
  532    H    LYS  75           H        LYS  75  11.055  -6.853  -0.509
  533    HA   LYS  75           HA       LYS  75  11.080  -9.346   0.787
  534   1HB   LYS  75          1HB       LYS  75  12.965  -7.764   0.791
  535   2HB   LYS  75          2HB       LYS  75  12.027  -6.625   1.735
  536   1HG   LYS  75          1HG       LYS  75  11.837  -9.101   3.131
  537   2HG   LYS  75          2HG       LYS  75  13.513  -8.973   2.636
  538   1HD   LYS  75          1HD       LYS  75  13.818  -6.889   3.782
  539   2HD   LYS  75          2HD       LYS  75  12.093  -6.615   3.927
  540   1HE   LYS  75          1HE       LYS  75  12.359  -7.450   6.043
  541   2HE   LYS  75          2HE       LYS  75  12.313  -9.014   5.253
  542   1HZ   LYS  75          1HZ       LYS  75  14.781  -7.485   5.885
  543   2HZ   LYS  75          2HZ       LYS  75  14.284  -8.842   6.634
  544    H    PHE  76           H        PHE  76   8.953  -6.565   0.937
  545    HA   PHE  76           HA       PHE  76   7.673  -7.763   3.302
  546   1HB   PHE  76          1HB       PHE  76   7.894  -4.881   2.231
  547   2HB   PHE  76          2HB       PHE  76   6.879  -5.313   3.594
  548    HD1  PHE  76           HD2      PHE  76   8.236  -6.735   5.486
  549    HD2  PHE  76           HD1      PHE  76   9.957  -3.955   2.727
  550    HE1  PHE  76           HE2      PHE  76  10.206  -6.387   7.054
  551    HE2  PHE  76           HE1      PHE  76  11.921  -3.616   4.305
  552    HZ   PHE  76           HZ       PHE  76  11.965  -4.924   6.484
  553    H    LYS  77           H        LYS  77   5.302  -7.568   3.389
  554    HA   LYS  77           HA       LYS  77   4.136  -8.272   0.937
  555   1HB   LYS  77          1HB       LYS  77   3.349  -8.039   3.744
  556   2HB   LYS  77          2HB       LYS  77   2.058  -7.574   2.654
  557   1HG   LYS  77          1HG       LYS  77   1.876  -9.696   1.723
  558   2HG   LYS  77          2HG       LYS  77   3.582 -10.048   1.912
  559   1HD   LYS  77          1HD       LYS  77   3.093 -11.244   3.773
  560   2HD   LYS  77          2HD       LYS  77   2.592  -9.761   4.560
  561   1HE   LYS  77          1HE       LYS  77   0.362 -10.248   4.343
  562   2HE   LYS  77          2HE       LYS  77   0.546 -10.825   2.699
  563   1HZ   LYS  77          1HZ       LYS  77   0.758 -12.336   5.188
  564   2HZ   LYS  77          2HZ       LYS  77   0.139 -12.801   3.755
  565    H    SER  78           H        SER  78   3.301  -7.070  -0.693
  566    HA   SER  78           HA       SER  78   3.237  -4.210  -0.224
  567   1HB   SER  78          1HB       SER  78   3.545  -3.925  -2.550
  568   2HB   SER  78          2HB       SER  78   4.532  -5.323  -2.174
  569    HG   SER  78           HG       SER  78   3.234  -5.688  -4.070
  570    H    CYS  79           H        CYS  79   1.392  -2.971  -1.344
  571    HA   CYS  79           HA       CYS  79  -1.012  -3.671  -0.341
  572   1HB   CYS  79          1HB       CYS  79  -0.581  -2.140  -2.914
  573   2HB   CYS  79          2HB       CYS  79  -2.013  -2.095  -1.905
  574    H    VAL  80           H        VAL  80  -0.146  -3.953  -3.873
  575    HA   VAL  80           HA       VAL  80  -2.295  -5.660  -4.444
  576    HB   VAL  80           HB       VAL  80   0.307  -5.101  -5.879
  577   1HG1  VAL  80          3HG1      VAL  80  -0.989  -7.298  -6.442
  578   2HG1  VAL  80          1HG1      VAL  80  -2.152  -6.201  -7.225
  579   3HG1  VAL  80          2HG1      VAL  80  -0.456  -6.230  -7.763
  580   1HG2  VAL  80          2HG2      VAL  80  -2.326  -3.743  -5.713
  581   2HG2  VAL  80          3HG2      VAL  80  -0.709  -3.083  -6.056
  582   3HG2  VAL  80          1HG2      VAL  80  -1.630  -3.896  -7.344
  583    H    GLY  81           H        GLY  81   1.090  -6.202  -3.409
  584   1HA   GLY  81          1HA       GLY  81   1.417  -8.867  -3.983
  585   2HA   GLY  81          2HA       GLY  81   2.096  -8.042  -2.595
  586    H    CYS  82           H        CYS  82   0.144  -7.483  -0.861
  587    HA   CYS  82           HA       CYS  82  -0.546  -9.980   0.171
  588   1HB   CYS  82          1HB       CYS  82  -0.189  -7.968   1.557
  589   2HB   CYS  82          2HB       CYS  82  -1.640  -7.241   0.896
  590    H    HIS  83           H        HIS  83  -2.369  -7.424  -1.631
  591    HA   HIS  83           HA       HIS  83  -4.879  -8.505  -1.449
  592   1HB   HIS  83          1HB       HIS  83  -3.488  -6.810  -3.508
  593   2HB   HIS  83          2HB       HIS  83  -5.125  -7.366  -3.794
  594    HD1  HIS  83           HD1      HIS  83  -5.998  -4.895  -3.656
  595    HD2  HIS  83           HD2      HIS  83  -4.237  -6.326  -0.128
  596    HE1  HIS  83           HE1      HIS  83  -6.627  -3.238  -1.821
  597    H    VAL  84           H        VAL  84  -2.208  -9.260  -3.755
  598    HA   VAL  84           HA       VAL  84  -3.637 -10.953  -5.415
  599    HB   VAL  84           HB       VAL  84  -0.731 -10.969  -4.580
  600   1HG1  VAL  84          2HG1      VAL  84  -1.336 -13.130  -5.550
  601   2HG1  VAL  84          3HG1      VAL  84  -2.069 -12.314  -6.953
  602   3HG1  VAL  84          1HG1      VAL  84  -0.314 -12.203  -6.675
  603   1HG2  VAL  84          2HG2      VAL  84  -2.190  -9.059  -6.008
  604   2HG2  VAL  84          3HG2      VAL  84  -0.419  -9.227  -5.946
  605   3HG2  VAL  84          1HG2      VAL  84  -1.342 -10.002  -7.256
  606    H    GLU  85           H        GLU  85  -2.107 -11.493  -2.217
  607    HA   GLU  85           HA       GLU  85  -2.497 -14.288  -2.334
  608   1HB   GLU  85          1HB       GLU  85  -1.427 -12.301  -0.417
  609   2HB   GLU  85          2HB       GLU  85  -2.223 -13.655   0.361
  610   1HG   GLU  85          1HG       GLU  85  -0.596 -14.670  -1.813
  611   2HG   GLU  85          2HG       GLU  85   0.385 -13.590  -0.843
  612    H    VAL  86           H        VAL  86  -4.355 -11.467  -1.191
  613    HA   VAL  86           HA       VAL  86  -6.234 -13.013   0.289
  614    HB   VAL  86           HB       VAL  86  -6.310 -10.186  -0.785
  615   1HG1  VAL  86          3HG1      VAL  86  -8.268 -11.800   0.749
  616   2HG1  VAL  86          1HG1      VAL  86  -7.947 -10.167   1.383
  617   3HG1  VAL  86          2HG1      VAL  86  -8.512 -10.377  -0.292
  618   1HG2  VAL  86          1HG2      VAL  86  -4.513 -11.018   0.965
  619   2HG2  VAL  86          2HG2      VAL  86  -5.343  -9.457   1.176
  620   3HG2  VAL  86          3HG2      VAL  86  -5.876 -10.881   2.101
  621    H    ALA  87           H        ALA  87  -6.250 -11.357  -2.942
  622    HA   ALA  87           HA       ALA  87  -8.811 -12.364  -3.611
  623   1HB   ALA  87          2HB       ALA  87  -6.667 -10.728  -4.813
  624   2HB   ALA  87          3HB       ALA  87  -7.573 -11.709  -5.990
  625   3HB   ALA  87          1HB       ALA  87  -8.435 -10.564  -4.934
  626    H    GLY  88           H        GLY  88  -5.811 -13.885  -3.214
  627   1HA   GLY  88          1HA       GLY  88  -5.266 -15.534  -5.231
  628   2HA   GLY  88          2HA       GLY  88  -5.301 -16.075  -3.565
  629    H    ALA  89           H        ALA  89  -6.420 -16.812  -6.600
  630    HA   ALA  89           HA       ALA  89  -8.039 -18.080  -7.418
  631   1HB   ALA  89          2HB       ALA  89  -7.048 -19.488  -5.452
  632   2HB   ALA  89          3HB       ALA  89  -8.589 -19.132  -4.637
  633   3HB   ALA  89          1HB       ALA  89  -8.584 -20.004  -6.188
  634    H    ASP  90           H        ASP  90  -9.069 -15.788  -7.575
  635    HA   ASP  90           HA       ASP  90 -11.742 -16.107  -6.616
  636   1HB   ASP  90          1HB       ASP  90 -10.395 -14.788  -4.836
  637   2HB   ASP  90          2HB       ASP  90 -10.270 -13.505  -6.023
  638    H    ALA  91           H        ALA  91  -9.254 -13.936  -8.134
  639    HA   ALA  91           HA       ALA  91  -9.198 -12.938 -10.118
  640   1HB   ALA  91          3HB       ALA  91 -11.106 -15.047 -10.508
  641   2HB   ALA  91          1HB       ALA  91 -11.701 -13.592 -11.343
  642   3HB   ALA  91          2HB       ALA  91 -10.085 -14.235 -11.720
  643    H    ALA  92           H        ALA  92 -12.768 -13.004  -9.431
  644    HA   ALA  92           HA       ALA  92 -13.332 -10.455 -10.132
  645   1HB   ALA  92          2HB       ALA  92 -14.790 -12.447  -9.217
  646   2HB   ALA  92          3HB       ALA  92 -14.568 -11.638  -7.647
  647   3HB   ALA  92          1HB       ALA  92 -15.345 -10.771  -8.993
  648    H    LYS  93           H        LYS  93 -11.920 -11.626  -7.032
  649    HA   LYS  93           HA       LYS  93 -12.018  -9.086  -5.790
  650   1HB   LYS  93          1HB       LYS  93 -10.573 -11.673  -5.203
  651   2HB   LYS  93          2HB       LYS  93 -10.323 -10.238  -4.229
  652   1HG   LYS  93          1HG       LYS  93 -13.120 -11.289  -4.814
  653   2HG   LYS  93          2HG       LYS  93 -12.174 -11.908  -3.475
  654   1HD   LYS  93          1HD       LYS  93 -12.788 -10.131  -2.213
  655   2HD   LYS  93          2HD       LYS  93 -11.994  -9.051  -3.342
  656   1HE   LYS  93          1HE       LYS  93 -14.151  -9.265  -4.795
  657   2HE   LYS  93          2HE       LYS  93 -14.895  -9.977  -3.377
  658   1HZ   LYS  93          1HZ       LYS  93 -14.667  -7.986  -2.191
  659   2HZ   LYS  93          2HZ       LYS  93 -13.491  -7.391  -3.148
  660    H    LYS  94           H        LYS  94  -9.628 -10.852  -7.800
  661    HA   LYS  94           HA       LYS  94  -7.525  -9.034  -7.359
  662   1HB   LYS  94          1HB       LYS  94  -8.093 -11.353  -9.083
  663   2HB   LYS  94          2HB       LYS  94  -7.029 -10.171  -9.819
  664   1HG   LYS  94          1HG       LYS  94  -5.305 -10.747  -8.455
  665   2HG   LYS  94          2HG       LYS  94  -6.293 -10.568  -7.019
  666   1HD   LYS  94          1HD       LYS  94  -5.749 -12.859  -6.963
  667   2HD   LYS  94          2HD       LYS  94  -7.339 -12.876  -7.699
  668   1HE   LYS  94          1HE       LYS  94  -5.376 -12.509  -9.797
  669   2HE   LYS  94          2HE       LYS  94  -4.865 -13.856  -8.798
  670   1HZ   LYS  94          1HZ       LYS  94  -7.623 -14.115  -9.204
  671   2HZ   LYS  94          2HZ       LYS  94  -6.968 -13.812 -10.663
  672    H    LYS  95           H        LYS  95 -10.542  -8.622  -8.845
  673    HA   LYS  95           HA       LYS  95  -9.495  -6.662 -10.742
  674   1HB   LYS  95          1HB       LYS  95 -11.515  -8.574 -10.940
  675   2HB   LYS  95          2HB       LYS  95 -12.387  -7.069 -10.725
  676   1HG   LYS  95          1HG       LYS  95 -11.457  -6.090 -12.672
  677   2HG   LYS  95          2HG       LYS  95 -10.071  -7.162 -12.675
  678   1HD   LYS  95          1HD       LYS  95 -12.692  -8.555 -12.925
  679   2HD   LYS  95          2HD       LYS  95 -12.318  -7.483 -14.260
  680   1HE   LYS  95          1HE       LYS  95 -11.079  -9.205 -15.095
  681   2HE   LYS  95          2HE       LYS  95  -9.887  -8.782 -13.882
  682   1HZ   LYS  95          1HZ       LYS  95 -11.560 -11.090 -13.981
  683   2HZ   LYS  95          2HZ       LYS  95 -10.254 -10.824 -13.045
  684    H    ASP  96           H        ASP  96 -10.714  -6.978  -7.546
  685    HA   ASP  96           HA       ASP  96 -11.358  -4.134  -7.582
  686   1HB   ASP  96          1HB       ASP  96 -12.880  -6.415  -6.613
  687   2HB   ASP  96          2HB       ASP  96 -12.480  -5.381  -5.255
  688    H    LEU  97           H        LEU  97  -9.022  -6.322  -6.843
  689    HA   LEU  97           HA       LEU  97  -8.256  -4.897  -4.394
  690   1HB   LEU  97          1HB       LEU  97  -8.073  -7.849  -4.985
  691   2HB   LEU  97          2HB       LEU  97  -7.144  -7.068  -3.721
  692    HG   LEU  97           HG       LEU  97 -10.134  -7.431  -3.895
  693   1HD1  LEU  97          3HD1      LEU  97  -8.283  -9.062  -2.832
  694   2HD1  LEU  97          1HD1      LEU  97  -8.579  -8.002  -1.432
  695   3HD1  LEU  97          2HD1      LEU  97  -9.930  -8.889  -2.178
  696   1HD2  LEU  97          2HD2      LEU  97  -8.615  -5.308  -2.485
  697   2HD2  LEU  97          3HD2      LEU  97 -10.291  -5.328  -3.082
  698   3HD2  LEU  97          1HD2      LEU  97  -9.883  -6.138  -1.551
  699    H    THR  98           H        THR  98  -7.153  -6.896  -7.209
  700    HA   THR  98           HA       THR  98  -4.659  -5.329  -7.154
  701    HB   THR  98           HB       THR  98  -3.582  -7.305  -8.059
  702    HG1  THR  98           HG1      THR  98  -5.316  -7.871  -9.534
  703   1HG2  THR  98          1HG2      THR  98  -5.718  -8.270  -6.084
  704   2HG2  THR  98          2HG2      THR  98  -4.221  -9.140  -6.499
  705   3HG2  THR  98          3HG2      THR  98  -4.138  -7.591  -5.626
  706    H    GLY  99           H        GLY  99  -7.594  -5.178  -8.512
  707   1HA   GLY  99          1HA       GLY  99  -7.239  -5.273 -11.264
  708   2HA   GLY  99          2HA       GLY  99  -8.388  -4.266 -10.405
  709    H    CYS 100           H        CYS 100  -6.668  -3.716 -12.843
  710    HA   CYS 100           HA       CYS 100  -4.791  -1.759 -11.879
  711   1HB   CYS 100          1HB       CYS 100  -5.479  -2.952 -14.526
  712   2HB   CYS 100          2HB       CYS 100  -4.740  -1.363 -14.511
  713    H    LYS 101           H        LYS 101  -7.803  -1.891 -13.919
  714    HA   LYS 101           HA       LYS 101  -8.367   0.842 -13.020
  715   1HB   LYS 101          1HB       LYS 101  -7.505   1.052 -15.261
  716   2HB   LYS 101          2HB       LYS 101  -8.543  -0.231 -15.847
  717   1HG   LYS 101          1HG       LYS 101  -9.903   2.064 -14.467
  718   2HG   LYS 101          2HG       LYS 101  -9.198   2.403 -16.035
  719   1HD   LYS 101          1HD       LYS 101 -10.691  -0.142 -16.020
  720   2HD   LYS 101          2HD       LYS 101 -11.701   1.214 -15.560
  721   1HE   LYS 101          1HE       LYS 101 -11.450   2.295 -17.629
  722   2HE   LYS 101          2HE       LYS 101  -9.889   1.564 -17.947
  723   1HZ   LYS 101          1HZ       LYS 101 -12.528   0.501 -18.497
  724   2HZ   LYS 101          2HZ       LYS 101 -11.124   0.212 -19.270
  725    H    LYS 102           H        LYS 102 -10.429   1.161 -12.274
  726    HA   LYS 102           HA       LYS 102 -12.599   0.779 -11.919
  727   1HB   LYS 102          1HB       LYS 102 -12.468  -0.285 -14.327
  728   2HB   LYS 102          2HB       LYS 102 -12.615  -1.799 -13.459
  729   1HG   LYS 102          1HG       LYS 102 -14.600  -0.468 -12.204
  730   2HG   LYS 102          2HG       LYS 102 -14.597   0.459 -13.692
  731   1HD   LYS 102          1HD       LYS 102 -15.706  -1.197 -14.769
  732   2HD   LYS 102          2HD       LYS 102 -14.425  -2.334 -14.399
  733   1HE   LYS 102          1HE       LYS 102 -16.323  -3.309 -13.367
  734   2HE   LYS 102          2HE       LYS 102 -15.510  -2.516 -12.032
  735   1HZ   LYS 102          1HZ       LYS 102 -17.031  -0.644 -12.261
  736   2HZ   LYS 102          2HZ       LYS 102 -17.750  -1.305 -13.564
  737    H    SER 103           H        SER 103 -10.501   0.105 -10.161
  738    HA   SER 103           HA       SER 103 -11.625  -2.299  -8.949
  739   1HB   SER 103          1HB       SER 103  -9.133  -2.076  -7.794
  740   2HB   SER 103          2HB       SER 103  -9.514  -3.119  -9.149
  741    HG   SER 103           HG       SER 103  -8.599  -0.382  -9.406
  742    H    LYS 104           H        LYS 104 -10.506  -2.133  -6.402
  743    HA   LYS 104           HA       LYS 104 -12.037   0.002  -5.292
  744   1HB   LYS 104          1HB       LYS 104 -10.292  -2.160  -4.088
  745   2HB   LYS 104          2HB       LYS 104 -11.133  -0.963  -3.124
  746   1HG   LYS 104          1HG       LYS 104 -12.827  -2.311  -5.176
  747   2HG   LYS 104          2HG       LYS 104 -12.219  -3.374  -3.922
  748   1HD   LYS 104          1HD       LYS 104 -13.033  -1.174  -2.436
  749   2HD   LYS 104          2HD       LYS 104 -14.211  -1.175  -3.734
  750   1HE   LYS 104          1HE       LYS 104 -13.542  -3.717  -2.196
  751   2HE   LYS 104          2HE       LYS 104 -14.752  -2.589  -1.616
  752   1HZ   LYS 104          1HZ       LYS 104 -16.191  -3.457  -3.083
  753   2HZ   LYS 104          2HZ       LYS 104 -15.230  -3.094  -4.347
  754    H    CYS 105           H        CYS 105  -8.667  -0.564  -6.188
  755    HA   CYS 105           HA       CYS 105  -7.738   1.633  -4.586
  756   1HB   CYS 105          1HB       CYS 105  -6.319  -0.094  -6.641
  757   2HB   CYS 105          2HB       CYS 105  -5.545   1.152  -5.683
  758    H    HIS 106           H        HIS 106  -7.629   0.822  -8.142
  759    HA   HIS 106           HA       HIS 106  -7.751   3.687  -8.670
  760   1HB   HIS 106          1HB       HIS 106  -6.938   1.355 -10.427
  761   2HB   HIS 106          2HB       HIS 106  -7.012   3.022 -10.962
  762    HD1  HIS 106           HD1      HIS 106  -5.536   4.657  -9.029
  763    HD2  HIS 106           HD2      HIS 106  -4.365   0.711  -9.837
  764    HE1  HIS 106           HE1      HIS 106  -3.086   4.483  -8.338
  765    H    GLU 107           H        GLU 107  -9.537   4.628  -9.570
  766    HA   GLU 107           HA       GLU 107 -11.651   2.771 -10.327
  767   1HB   GLU 107          1HB       GLU 107 -11.765   5.612  -9.237
  768   2HB   GLU 107          2HB       GLU 107 -13.168   4.793  -9.893
  769   1HG   GLU 107          1HG       GLU 107 -12.096   2.892  -8.131
  770   2HG   GLU 107          2HG       GLU 107 -11.816   4.407  -7.294
  771    HHA  HEC 108           HHA      HEC 108  -0.922   6.591   7.307
  772    HHB  HEC 108           HHB      HEC 108  -1.645   4.041  13.145
  773    HHC  HEC 108           HHC      HEC 108  -2.678  -1.709  10.507
  774    HHD  HEC 108           HHD      HEC 108  -1.110   0.736   4.709
  775   1HMA  HEC 108          1HMA      HEC 108  -0.715   7.634  12.489
  776   2HMA  HEC 108          2HMA      HEC 108  -2.290   6.900  12.875
  777   3HMA  HEC 108          3HMA      HEC 108  -0.785   6.067  13.330
  778   1HAA  HEC 108          1HAA      HEC 108  -0.493   8.014   8.630
  779   2HAA  HEC 108          2HAA      HEC 108  -1.718   8.528   9.814
  780   1HBA  HEC 108          1HBA      HEC 108   0.750   7.867  11.155
  781   2HBA  HEC 108          2HBA      HEC 108   1.035   9.047   9.853
  782   1HMB  HEC 108          1HMB      HEC 108  -3.578   2.093  14.651
  783   2HMB  HEC 108          2HMB      HEC 108  -2.261   0.980  15.093
  784   3HMB  HEC 108          3HMB      HEC 108  -1.893   2.668  14.666
  785    HAB  HEC 108           HAB      HEC 108  -3.246  -1.820  12.398
  786   1HBB  HEC 108          1HBB      HEC 108  -3.991  -0.390  14.944
  787   2HBB  HEC 108          2HBB      HEC 108  -5.013  -0.333  13.488
  788   3HBB  HEC 108          3HBB      HEC 108  -4.656  -1.895  14.264
  789   1HMC  HEC 108          1HMC      HEC 108  -2.441  -3.283   9.093
  790   2HMC  HEC 108          2HMC      HEC 108  -3.695  -3.240   7.831
  791   3HMC  HEC 108          3HMC      HEC 108  -2.044  -3.767   7.427
  792    HAC  HEC 108           HAC      HEC 108  -2.004  -1.146   4.390
  793   1HBC  HEC 108          1HBC      HEC 108  -3.086  -3.104   3.966
  794   2HBC  HEC 108          2HBC      HEC 108  -2.442  -3.912   5.415
  795   3HBC  HEC 108          3HBC      HEC 108  -3.766  -2.733   5.569
  796   1HMD  HEC 108          1HMD      HEC 108   0.272   3.784   2.964
  797   2HMD  HEC 108          2HMD      HEC 108   0.189   2.068   3.428
  798   3HMD  HEC 108          3HMD      HEC 108  -1.278   2.915   2.882
  799   1HAD  HEC 108          1HAD      HEC 108  -0.517   6.774   5.339
  800   2HAD  HEC 108          2HAD      HEC 108   0.917   5.974   4.651
  801   1HBD  HEC 108          1HBD      HEC 108  -1.229   5.190   3.021
  802   2HBD  HEC 108          2HBD      HEC 108  -1.469   6.925   3.342
  803    HHA  HEC 109           HHA      HEC 109  11.696  -2.283   1.597
  804    HHB  HEC 109           HHB      HEC 109   5.333  -1.536   1.314
  805    HHC  HEC 109           HHC      HEC 109   5.721   3.378   5.410
  806    HHD  HEC 109           HHD      HEC 109  12.180   3.182   4.915
  807   1HMA  HEC 109          1HMA      HEC 109   5.905  -3.666   0.728
  808   2HMA  HEC 109          2HMA      HEC 109   6.487  -3.029  -0.829
  809   3HMA  HEC 109          3HMA      HEC 109   7.232  -4.487  -0.129
  810   1HAA  HEC 109          1HAA      HEC 109  10.945  -3.877   0.640
  811   2HAA  HEC 109          2HAA      HEC 109   9.479  -4.805   0.245
  812   1HBA  HEC 109          1HBA      HEC 109   9.233  -3.455  -1.822
  813   2HBA  HEC 109          2HBA      HEC 109  10.773  -2.649  -1.438
  814   1HMB  HEC 109          1HMB      HEC 109   2.346   0.209   2.910
  815   2HMB  HEC 109          2HMB      HEC 109   3.251  -0.393   1.500
  816   3HMB  HEC 109          3HMB      HEC 109   3.190  -1.356   2.996
  817    HAB  HEC 109           HAB      HEC 109   3.819   2.770   5.388
  818   1HBB  HEC 109          1HBB      HEC 109   2.022   1.675   6.167
  819   2HBB  HEC 109          2HBB      HEC 109   1.529   1.110   4.553
  820   3HBB  HEC 109          3HBB      HEC 109   2.810   0.253   5.442
  821   1HMC  HEC 109          1HMC      HEC 109   6.622   5.261   6.137
  822   2HMC  HEC 109          2HMC      HEC 109   7.367   4.727   7.663
  823   3HMC  HEC 109          3HMC      HEC 109   8.105   6.049   6.726
  824    HAC  HEC 109           HAC      HEC 109  11.750   4.701   6.069
  825   1HBC  HEC 109          1HBC      HEC 109   9.893   5.755   8.184
  826   2HBC  HEC 109          2HBC      HEC 109  10.574   4.114   8.295
  827   3HBC  HEC 109          3HBC      HEC 109  11.658   5.525   8.234
  828   1HMD  HEC 109          1HMD      HEC 109  14.051   2.761   4.082
  829   2HMD  HEC 109          2HMD      HEC 109  14.600   1.292   4.924
  830   3HMD  HEC 109          3HMD      HEC 109  15.039   1.557   3.219
  831   1HAD  HEC 109          1HAD      HEC 109  13.674  -2.001   2.086
  832   2HAD  HEC 109          2HAD      HEC 109  14.342  -0.560   1.282
  833   1HBD  HEC 109          1HBD      HEC 109  15.032  -0.636   4.106
  834   2HBD  HEC 109          2HBD      HEC 109  15.564  -2.098   3.241
  835    HHA  HEC 110           HHA      HEC 110 -10.222  -4.723   0.750
  836    HHB  HEC 110           HHB      HEC 110  -6.410   0.168  -0.882
  837    HHC  HEC 110           HHC      HEC 110  -1.439  -2.803   1.866
  838    HHD  HEC 110           HHD      HEC 110  -5.175  -7.859   3.158
  839   1HMA  HEC 110          1HMA      HEC 110  -9.106  -0.260  -2.514
  840   2HMA  HEC 110          2HMA      HEC 110 -10.062   0.282  -1.115
  841   3HMA  HEC 110          3HMA      HEC 110  -8.341   0.719  -1.240
  842   1HAA  HEC 110          1HAA      HEC 110 -11.317  -1.689  -1.277
  843   2HAA  HEC 110          2HAA      HEC 110 -11.151  -3.455  -1.133
  844   1HBA  HEC 110          1HBA      HEC 110 -12.895  -2.550   0.334
  845   2HBA  HEC 110          2HBA      HEC 110 -11.585  -3.327   1.254
  846   1HMB  HEC 110          1HMB      HEC 110  -2.924   1.200  -1.401
  847   2HMB  HEC 110          2HMB      HEC 110  -4.699   1.125  -1.498
  848   3HMB  HEC 110          3HMB      HEC 110  -3.917   1.869  -0.084
  849    HAB  HEC 110           HAB      HEC 110  -0.793  -1.045   1.194
  850   1HBB  HEC 110          1HBB      HEC 110  -1.518   1.128   1.957
  851   2HBB  HEC 110          2HBB      HEC 110  -0.131   1.309   0.856
  852   3HBB  HEC 110          3HBB      HEC 110  -1.777   1.668   0.281
  853   1HMC  HEC 110          1HMC      HEC 110  -0.186  -4.482   2.120
  854   2HMC  HEC 110          2HMC      HEC 110  -0.363  -5.021   3.807
  855   3HMC  HEC 110          3HMC      HEC 110  -0.097  -6.215   2.514
  856    HAC  HEC 110           HAC      HEC 110  -3.260  -8.051   4.215
  857   1HBC  HEC 110          1HBC      HEC 110  -1.103  -6.676   4.828
  858   2HBC  HEC 110          2HBC      HEC 110  -1.194  -8.429   5.125
  859   3HBC  HEC 110          3HBC      HEC 110  -0.324  -7.812   3.700
  860   1HMD  HEC 110          1HMD      HEC 110  -8.714  -9.200   3.091
  861   2HMD  HEC 110          2HMD      HEC 110  -6.948  -9.288   2.886
  862   3HMD  HEC 110          3HMD      HEC 110  -7.638  -8.525   4.338
  863   1HAD  HEC 110          1HAD      HEC 110 -10.389  -8.062   2.610
  864   2HAD  HEC 110          2HAD      HEC 110 -10.895  -6.357   2.535
  865   1HBD  HEC 110          1HBD      HEC 110 -11.514  -6.523   0.397
  866   2HBD  HEC 110          2HBD      HEC 110 -10.062  -7.447  -0.057
  867    HHA  HEC 111           HHA      HEC 111   0.359   5.537  -7.773
  868    HHB  HEC 111           HHB      HEC 111  -0.580   1.939 -12.996
  869    HHC  HEC 111           HHC      HEC 111  -3.254  -2.632  -9.385
  870    HHD  HEC 111           HHD      HEC 111  -3.009   1.345  -4.287
  871   1HMA  HEC 111          1HMA      HEC 111   1.125   5.340 -12.972
  872   2HMA  HEC 111          2HMA      HEC 111   1.667   3.651 -13.120
  873   3HMA  HEC 111          3HMA      HEC 111   0.007   4.096 -13.583
  874   1HAA  HEC 111          1HAA      HEC 111   0.634   6.883 -10.776
  875   2HAA  HEC 111          2HAA      HEC 111   1.371   6.374  -9.238
  876   1HBA  HEC 111          1HBA      HEC 111   3.379   6.027 -10.174
  877   2HBA  HEC 111          2HBA      HEC 111   2.690   5.314 -11.652
  878   1HMB  HEC 111          1HMB      HEC 111  -0.172  -0.061 -13.927
  879   2HMB  HEC 111          2HMB      HEC 111  -0.901  -1.681 -14.041
  880   3HMB  HEC 111          3HMB      HEC 111  -1.871  -0.239 -14.427
  881    HAB  HEC 111           HAB      HEC 111  -3.447  -3.156 -11.510
  882   1HBB  HEC 111          1HBB      HEC 111  -1.550  -4.183 -10.600
  883   2HBB  HEC 111          2HBB      HEC 111  -1.681  -4.847 -12.247
  884   3HBB  HEC 111          3HBB      HEC 111  -0.487  -3.575 -11.892
  885   1HMC  HEC 111          1HMC      HEC 111  -5.707  -2.768  -6.702
  886   2HMC  HEC 111          2HMC      HEC 111  -4.573  -3.310  -7.964
  887   3HMC  HEC 111          3HMC      HEC 111  -4.227  -3.648  -6.251
  888    HAC  HEC 111           HAC      HEC 111  -3.938  -0.312  -3.700
  889   1HBC  HEC 111          1HBC      HEC 111  -3.259  -2.823  -4.194
  890   2HBC  HEC 111          2HBC      HEC 111  -4.178  -2.363  -2.740
  891   3HBC  HEC 111          3HBC      HEC 111  -5.024  -3.053  -4.146
  892   1HMD  HEC 111          1HMD      HEC 111  -1.239   4.421  -2.888
  893   2HMD  HEC 111          2HMD      HEC 111  -2.724   3.470  -3.130
  894   3HMD  HEC 111          3HMD      HEC 111  -1.173   2.643  -2.853
  895   1HAD  HEC 111          1HAD      HEC 111   0.586   5.384  -4.163
  896   2HAD  HEC 111          2HAD      HEC 111   0.676   5.973  -5.840
  897   1HBD  HEC 111          1HBD      HEC 111  -1.604   6.956  -5.537
  898   2HBD  HEC 111          2HBD      HEC 111  -1.511   6.502  -3.819
   
  No H/Q in entry =         898
  Start of MODEL   14
    1   1H    ALA   1          1H        ALA   1   2.103   1.593  20.786
    2   2H    ALA   1          2H        ALA   1   2.598   1.899  19.236
    3    HA   ALA   1           HA       ALA   1   0.623   1.858  18.399
    4   1HB   ALA   1          1HB       ALA   1   0.656   0.329  20.912
    5   2HB   ALA   1          2HB       ALA   1  -0.986   0.772  20.386
    6   3HB   ALA   1          3HB       ALA   1   0.081  -0.145  19.295
    7    HA   PRO   2           HA       PRO   2  -0.972   5.654  20.167
    8   1HB   PRO   2          1HB       PRO   2  -1.185   7.037  17.819
    9   2HB   PRO   2          2HB       PRO   2   0.235   7.102  18.844
   10   1HG   PRO   2          1HG       PRO   2  -0.138   5.674  16.284
   11   2HG   PRO   2          2HG       PRO   2   1.355   6.102  17.094
   12   1HD   PRO   2          1HD       PRO   2   0.133   3.509  17.006
   13   2HD   PRO   2          2HD       PRO   2   1.562   3.963  17.912
   14    H    LYS   3           H        LYS   3  -2.195   5.241  16.896
   15    HA   LYS   3           HA       LYS   3  -4.473   3.863  17.471
   16   1HB   LYS   3          1HB       LYS   3  -5.303   5.380  19.035
   17   2HB   LYS   3          2HB       LYS   3  -4.731   6.780  18.151
   18   1HG   LYS   3          1HG       LYS   3  -6.432   6.521  16.444
   19   2HG   LYS   3          2HG       LYS   3  -6.863   4.922  17.016
   20   1HD   LYS   3          1HD       LYS   3  -7.074   7.149  19.018
   21   2HD   LYS   3          2HD       LYS   3  -8.238   7.170  17.708
   22   1HE   LYS   3          1HE       LYS   3  -9.448   5.605  18.819
   23   2HE   LYS   3          2HE       LYS   3  -8.147   4.461  18.555
   24   1HZ   LYS   3          1HZ       LYS   3  -8.490   4.621  20.897
   25   2HZ   LYS   3          2HZ       LYS   3  -7.097   5.418  20.621
   26    H    ALA   4           H        ALA   4  -5.617   3.485  15.566
   27    HA   ALA   4           HA       ALA   4  -4.335   4.263  13.191
   28   1HB   ALA   4          3HB       ALA   4  -6.989   2.927  13.825
   29   2HB   ALA   4          1HB       ALA   4  -6.400   3.171  12.163
   30   3HB   ALA   4          2HB       ALA   4  -5.472   2.159  13.296
   31    HA   PRO   5           HA       PRO   5  -6.314   8.044  12.446
   32   1HB   PRO   5          1HB       PRO   5  -5.724   8.371   9.798
   33   2HB   PRO   5          2HB       PRO   5  -4.596   8.748  11.085
   34   1HG   PRO   5          1HG       PRO   5  -4.601   6.435   9.243
   35   2HG   PRO   5          2HG       PRO   5  -3.289   7.052  10.227
   36   1HD   PRO   5          1HD       PRO   5  -4.892   4.734  10.762
   37   2HD   PRO   5          2HD       PRO   5  -3.658   5.418  11.802
   38    H    ALA   6           H        ALA   6  -8.064   9.168  11.337
   39    HA   ALA   6           HA       ALA   6 -10.283   7.538  11.163
   40   1HB   ALA   6          1HB       ALA   6  -9.620  10.304  10.112
   41   2HB   ALA   6          2HB       ALA   6 -11.233   9.581   9.905
   42   3HB   ALA   6          3HB       ALA   6 -10.586   9.860  11.540
   43    H    ASP   7           H        ASP   7 -11.721   7.617   8.983
   44    HA   ASP   7           HA       ASP   7 -10.130   6.120   7.128
   45   1HB   ASP   7          1HB       ASP   7 -12.370   5.307   7.819
   46   2HB   ASP   7          2HB       ASP   7 -13.111   6.778   7.222
   47    H    GLY   8           H        GLY   8 -10.727   6.564   4.647
   48   1HA   GLY   8          1HA       GLY   8 -11.095   8.016   2.912
   49   2HA   GLY   8          2HA       GLY   8 -11.370   9.328   4.041
   50    H    LEU   9           H        LEU   9  -8.538   7.393   4.704
   51    HA   LEU   9           HA       LEU   9  -6.858   9.639   4.188
   52   1HB   LEU   9          1HB       LEU   9  -6.305   8.436   6.086
   53   2HB   LEU   9          2HB       LEU   9  -6.510   6.883   5.301
   54    HG   LEU   9           HG       LEU   9  -4.119   7.916   5.886
   55   1HD1  LEU   9          3HD1      LEU   9  -4.872   5.678   4.776
   56   2HD1  LEU   9          1HD1      LEU   9  -4.336   6.460   3.270
   57   3HD1  LEU   9          2HD1      LEU   9  -3.189   6.232   4.612
   58   1HD2  LEU   9          2HD2      LEU   9  -4.812   9.813   4.148
   59   2HD2  LEU   9          3HD2      LEU   9  -3.132   9.255   4.337
   60   3HD2  LEU   9          1HD2      LEU   9  -4.128   8.640   2.997
   61    H    LYS  10           H        LYS  10  -6.515  10.199   2.085
   62    HA   LYS  10           HA       LYS  10  -5.820   8.002   0.264
   63   1HB   LYS  10          1HB       LYS  10  -7.105   8.929  -1.313
   64   2HB   LYS  10          2HB       LYS  10  -7.836   9.843  -0.009
   65   1HG   LYS  10          1HG       LYS  10  -5.852  11.538  -0.396
   66   2HG   LYS  10          2HG       LYS  10  -5.663  10.725  -1.937
   67   1HD   LYS  10          1HD       LYS  10  -8.483  11.316  -1.466
   68   2HD   LYS  10          2HD       LYS  10  -7.531  12.774  -1.279
   69   1HE   LYS  10          1HE       LYS  10  -6.665  11.197  -3.615
   70   2HE   LYS  10          2HE       LYS  10  -8.362  11.625  -3.713
   71   1HZ   LYS  10          1HZ       LYS  10  -7.847  13.896  -3.648
   72   2HZ   LYS  10          2HZ       LYS  10  -6.373  13.684  -2.991
   73    H    MET  11           H        MET  11  -4.092   8.461  -1.326
   74    HA   MET  11           HA       MET  11  -2.278  10.517  -0.338
   75   1HB   MET  11          1HB       MET  11  -0.407   8.838  -0.902
   76   2HB   MET  11          2HB       MET  11  -1.388   8.405   0.483
   77   1HG   MET  11          1HG       MET  11  -2.616   7.363  -1.953
   78   2HG   MET  11          2HG       MET  11  -0.940   6.857  -1.874
   79   1HE   MET  11          3HE       MET  11   0.151   5.650   0.091
   80   2HE   MET  11          1HE       MET  11  -0.762   4.270   0.748
   81   3HE   MET  11          2HE       MET  11  -0.633   4.494  -1.013
   82    H    GLU  12           H        GLU  12  -2.034  12.002  -1.950
   83    HA   GLU  12           HA       GLU  12  -2.135  10.975  -4.673
   84   1HB   GLU  12          1HB       GLU  12  -3.828  12.734  -3.918
   85   2HB   GLU  12          2HB       GLU  12  -2.495  13.862  -3.768
   86   1HG   GLU  12          1HG       GLU  12  -2.829  12.336  -6.360
   87   2HG   GLU  12          2HG       GLU  12  -3.888  13.695  -6.038
   88    H    ALA  13           H        ALA  13   0.203  10.271  -4.087
   89    HA   ALA  13           HA       ALA  13   2.056  12.523  -4.194
   90   1HB   ALA  13          2HB       ALA  13   2.123   9.685  -3.263
   91   2HB   ALA  13          3HB       ALA  13   3.631  10.345  -3.939
   92   3HB   ALA  13          1HB       ALA  13   2.856  11.141  -2.548
   93    H    THR  14           H        THR  14   0.419  10.283  -6.219
   94    HA   THR  14           HA       THR  14   2.371  10.827  -8.352
   95    HB   THR  14           HB       THR  14   2.228   8.540  -9.076
   96    HG1  THR  14           HG1      THR  14  -0.008   8.597  -7.182
   97   1HG2  THR  14          3HG2      THR  14   3.475   8.788  -6.842
   98   2HG2  THR  14          1HG2      THR  14   1.964   8.300  -6.038
   99   3HG2  THR  14          2HG2      THR  14   2.790   7.172  -7.139
  100    H    LYS  15           H        LYS  15   1.221  10.182 -10.578
  101    HA   LYS  15           HA       LYS  15  -0.860  12.054 -10.828
  102   1HB   LYS  15          1HB       LYS  15   0.844  11.409 -12.572
  103   2HB   LYS  15          2HB       LYS  15  -0.037   9.913 -12.807
  104   1HG   LYS  15          1HG       LYS  15  -1.979  11.034 -13.627
  105   2HG   LYS  15          2HG       LYS  15  -1.490  12.575 -12.951
  106   1HD   LYS  15          1HD       LYS  15   0.243  12.874 -14.599
  107   2HD   LYS  15          2HD       LYS  15   0.164  11.197 -15.103
  108   1HE   LYS  15          1HE       LYS  15  -2.386  11.832 -15.661
  109   2HE   LYS  15          2HE       LYS  15  -1.737  13.459 -15.728
  110   1HZ   LYS  15          1HZ       LYS  15  -0.128  12.708 -17.383
  111   2HZ   LYS  15          2HZ       LYS  15  -0.656  11.171 -17.287
  112    H    GLN  16           H        GLN  16  -0.822   8.876  -9.593
  113    HA   GLN  16           HA       GLN  16  -3.690   8.705 -10.095
  114   1HB   GLN  16          1HB       GLN  16  -1.819   6.322  -9.765
  115   2HB   GLN  16          2HB       GLN  16  -3.520   6.271 -10.183
  116   1HG   GLN  16          1HG       GLN  16  -1.806   7.955 -11.969
  117   2HG   GLN  16          2HG       GLN  16  -1.493   6.231 -12.030
  118   1HE2  GLN  16          2HE2      GLN  16  -4.851   5.356 -13.090
  119   2HE2  GLN  16          1HE2      GLN  16  -3.644   4.898 -11.936
  120    HA   PRO  17           HA       PRO  17  -3.338   8.915  -5.674
  121   1HB   PRO  17          1HB       PRO  17  -5.814   9.979  -5.217
  122   2HB   PRO  17          2HB       PRO  17  -4.389  10.957  -5.509
  123   1HG   PRO  17          1HG       PRO  17  -6.641  10.370  -7.333
  124   2HG   PRO  17          2HG       PRO  17  -5.450  11.652  -7.436
  125   1HD   PRO  17          1HD       PRO  17  -5.514   9.240  -8.987
  126   2HD   PRO  17          2HD       PRO  17  -4.262  10.466  -9.007
  127    H    VAL  18           H        VAL  18  -4.446   7.962  -3.783
  128    HA   VAL  18           HA       VAL  18  -6.371   5.938  -4.578
  129    HB   VAL  18           HB       VAL  18  -3.679   5.348  -3.341
  130   1HG1  VAL  18          3HG1      VAL  18  -6.167   3.629  -3.517
  131   2HG1  VAL  18          1HG1      VAL  18  -4.535   2.955  -3.291
  132   3HG1  VAL  18          2HG1      VAL  18  -5.220   4.056  -2.072
  133   1HG2  VAL  18          2HG2      VAL  18  -4.943   4.877  -5.998
  134   2HG2  VAL  18          3HG2      VAL  18  -3.241   5.181  -5.571
  135   3HG2  VAL  18          1HG2      VAL  18  -3.943   3.563  -5.333
  136    H    VAL  19           H        VAL  19  -7.581   5.093  -2.740
  137    HA   VAL  19           HA       VAL  19  -7.278   6.804  -0.368
  138    HB   VAL  19           HB       VAL  19  -9.735   5.826  -1.818
  139   1HG1  VAL  19          3HG1      VAL  19  -9.453   6.820   1.021
  140   2HG1  VAL  19          1HG1      VAL  19 -10.966   7.023   0.106
  141   3HG1  VAL  19          2HG1      VAL  19 -10.324   5.392   0.414
  142   1HG2  VAL  19          1HG2      VAL  19  -8.485   8.013  -2.418
  143   2HG2  VAL  19          2HG2      VAL  19 -10.247   8.082  -2.172
  144   3HG2  VAL  19          3HG2      VAL  19  -9.147   8.636  -0.887
  145    H    PHE  20           H        PHE  20  -6.545   5.654   1.337
  146    HA   PHE  20           HA       PHE  20  -7.006   2.773   1.333
  147   1HB   PHE  20          1HB       PHE  20  -4.727   3.959   1.674
  148   2HB   PHE  20          2HB       PHE  20  -5.378   4.668   3.139
  149    HD1  PHE  20           HD1      PHE  20  -5.217   1.223   1.632
  150    HD2  PHE  20           HD2      PHE  20  -4.650   3.672   5.094
  151    HE1  PHE  20           HE1      PHE  20  -4.467  -0.812   2.958
  152    HE2  PHE  20           HE2      PHE  20  -3.902   1.629   6.408
  153    HZ   PHE  20           HZ       PHE  20  -3.836  -0.503   5.400
  154    H    ASN  21           H        ASN  21  -7.195   1.891   3.765
  155    HA   ASN  21           HA       ASN  21  -8.884   3.593   5.338
  156   1HB   ASN  21          1HB       ASN  21  -9.903   0.833   4.509
  157   2HB   ASN  21          2HB       ASN  21 -10.783   2.062   5.395
  158   1HD2  ASN  21          2HD2      ASN  21 -11.433   4.176   2.592
  159   2HD2  ASN  21          1HD2      ASN  21 -11.080   4.171   4.288
  160    H    HIS  22           H        HIS  22  -8.806   2.935   7.575
  161    HA   HIS  22           HA       HIS  22  -6.950   0.738   8.073
  162   1HB   HIS  22          1HB       HIS  22  -7.621   3.289   9.484
  163   2HB   HIS  22          2HB       HIS  22  -7.090   1.929  10.453
  164    HD1  HIS  22           HD1      HIS  22  -5.872   4.486   8.013
  165    HD2  HIS  22           HD2      HIS  22  -4.384   1.097   9.987
  166    HE1  HIS  22           HE1      HIS  22  -3.337   4.549   7.730
  167    H    SER  23           H        SER  23 -10.286   1.703   8.262
  168    HA   SER  23           HA       SER  23 -10.903  -0.049  10.419
  169   1HB   SER  23          1HB       SER  23 -12.151   2.135   9.222
  170   2HB   SER  23          2HB       SER  23 -13.129   0.795   8.659
  171    HG   SER  23           HG       SER  23 -14.083   1.044  10.575
  172    H    THR  24           H        THR  24  -9.993  -0.549   7.235
  173    HA   THR  24           HA       THR  24 -11.792  -2.847   6.884
  174    HB   THR  24           HB       THR  24 -10.049  -1.222   4.961
  175    HG1  THR  24           HG1      THR  24 -12.003  -0.191   4.873
  176   1HG2  THR  24          1HG2      THR  24 -10.307  -3.739   4.375
  177   2HG2  THR  24          2HG2      THR  24 -12.054  -3.419   4.268
  178   3HG2  THR  24          3HG2      THR  24 -10.928  -2.585   3.171
  179    H    HIS  25           H        HIS  25  -8.404  -1.838   7.302
  180    HA   HIS  25           HA       HIS  25  -7.615  -4.630   7.026
  181   1HB   HIS  25          1HB       HIS  25  -5.939  -2.111   7.217
  182   2HB   HIS  25          2HB       HIS  25  -5.310  -3.734   7.015
  183    HD1  HIS  25           HD1      HIS  25  -7.518  -1.219   5.168
  184    HD2  HIS  25           HD2      HIS  25  -5.145  -4.592   4.402
  185    HE1  HIS  25           HE1      HIS  25  -7.406  -1.453   2.630
  186    H    LYS  26           H        LYS  26  -9.266  -3.816   9.269
  187    HA   LYS  26           HA       LYS  26  -7.653  -3.301  11.524
  188   1HB   LYS  26          1HB       LYS  26 -10.425  -4.523  11.392
  189   2HB   LYS  26          2HB       LYS  26  -9.673  -3.795  12.797
  190   1HG   LYS  26          1HG       LYS  26  -9.563  -1.603  11.649
  191   2HG   LYS  26          2HG       LYS  26 -10.201  -2.312  10.178
  192   1HD   LYS  26          1HD       LYS  26 -12.163  -1.446  11.090
  193   2HD   LYS  26          2HD       LYS  26 -12.211  -3.067  11.754
  194   1HE   LYS  26          1HE       LYS  26 -10.858  -2.026  13.769
  195   2HE   LYS  26          2HE       LYS  26 -11.415  -0.487  13.142
  196   1HZ   LYS  26          1HZ       LYS  26 -12.856  -2.054  14.799
  197   2HZ   LYS  26          2HZ       LYS  26 -13.516  -0.917  13.838
  198    H    SER  27           H        SER  27  -8.818  -6.271   9.882
  199    HA   SER  27           HA       SER  27  -7.909  -7.963  11.939
  200   1HB   SER  27          1HB       SER  27  -8.382  -9.780  10.345
  201   2HB   SER  27          2HB       SER  27  -9.696  -8.620  10.360
  202    HG   SER  27           HG       SER  27  -7.547  -8.451   8.440
  203    H    VAL  28           H        VAL  28  -6.316  -6.092   9.561
  204    HA   VAL  28           HA       VAL  28  -4.132  -7.965   9.199
  205    HB   VAL  28           HB       VAL  28  -4.497  -5.134   8.202
  206   1HG1  VAL  28          1HG1      VAL  28  -2.609  -7.355   7.350
  207   2HG1  VAL  28          2HG1      VAL  28  -2.816  -5.804   6.501
  208   3HG1  VAL  28          3HG1      VAL  28  -2.170  -5.832   8.160
  209   1HG2  VAL  28          2HG2      VAL  28  -5.348  -7.794   7.050
  210   2HG2  VAL  28          3HG2      VAL  28  -6.301  -6.305   7.258
  211   3HG2  VAL  28          1HG2      VAL  28  -5.033  -6.383   6.011
  212    H    LYS  29           H        LYS  29  -2.089  -7.765  10.125
  213    HA   LYS  29           HA       LYS  29  -1.996  -6.361  12.579
  214   1HB   LYS  29          1HB       LYS  29  -0.533  -8.425  11.246
  215   2HB   LYS  29          2HB       LYS  29   0.608  -7.189  11.736
  216   1HG   LYS  29          1HG       LYS  29  -0.933  -7.316  13.998
  217   2HG   LYS  29          2HG       LYS  29  -1.118  -8.961  13.424
  218   1HD   LYS  29          1HD       LYS  29   0.954  -9.487  14.176
  219   2HD   LYS  29          2HD       LYS  29   1.664  -8.259  13.148
  220   1HE   LYS  29          1HE       LYS  29   1.930  -6.785  14.881
  221   2HE   LYS  29          2HE       LYS  29   0.336  -7.114  15.532
  222   1HZ   LYS  29          1HZ       LYS  29   2.583  -9.025  15.845
  223   2HZ   LYS  29          2HZ       LYS  29   2.260  -7.872  16.950
  224    H    CYS  30           H        CYS  30  -0.976  -4.443  13.149
  225    HA   CYS  30           HA       CYS  30  -0.799  -2.498  11.179
  226   1HB   CYS  30          1HB       CYS  30   0.604  -2.343  13.842
  227   2HB   CYS  30          2HB       CYS  30  -0.042  -1.033  12.874
  228    H    GLY  31           H        GLY  31   1.495  -4.872  12.484
  229   1HA   GLY  31          1HA       GLY  31   3.835  -3.569  11.400
  230   2HA   GLY  31          2HA       GLY  31   3.742  -5.131  12.188
  231    H    ASP  32           H        ASP  32   1.232  -5.135   9.966
  232    HA   ASP  32           HA       ASP  32   2.729  -6.825   8.237
  233   1HB   ASP  32          1HB       ASP  32   0.302  -7.174   8.972
  234   2HB   ASP  32          2HB       ASP  32  -0.142  -5.828   7.941
  235    H    CYS  33           H        CYS  33   1.580  -3.484   8.381
  236    HA   CYS  33           HA       CYS  33   2.318  -3.126   5.568
  237   1HB   CYS  33          1HB       CYS  33   0.182  -1.913   7.255
  238   2HB   CYS  33          2HB       CYS  33   0.988  -0.843   6.125
  239    H    HIS  34           H        HIS  34   2.289  -1.518   8.838
  240    HA   HIS  34           HA       HIS  34   4.360   0.274   8.071
  241   1HB   HIS  34          1HB       HIS  34   3.174  -0.360  10.788
  242   2HB   HIS  34          2HB       HIS  34   4.271   0.964  10.450
  243    HD1  HIS  34           HD1      HIS  34   3.337   2.937   8.911
  244    HD2  HIS  34           HD2      HIS  34   0.501   0.095  10.127
  245    HE1  HIS  34           HE1      HIS  34   1.049   3.978   8.474
  246    H    HIS  35           H        HIS  35   5.609  -1.821   7.272
  247    HA   HIS  35           HA       HIS  35   6.741  -3.615   8.935
  248   1HB   HIS  35          1HB       HIS  35   8.543  -3.799   7.318
  249   2HB   HIS  35          2HB       HIS  35   6.998  -3.621   6.511
  250    HD1  HIS  35           HD1      HIS  35   9.941  -1.388   7.550
  251    HD2  HIS  35           HD2      HIS  35   6.989  -1.681   4.584
  252    HE1  HIS  35           HE1      HIS  35  10.428   0.470   5.870
  253    HA   PRO  36           HA       PRO  36   9.359  -1.418  11.587
  254   1HB   PRO  36          1HB       PRO  36  11.080  -3.388  12.378
  255   2HB   PRO  36          2HB       PRO  36   9.476  -3.188  13.055
  256   1HG   PRO  36          1HG       PRO  36  10.435  -5.214  11.127
  257   2HG   PRO  36          2HG       PRO  36   8.995  -5.244  12.125
  258   1HD   PRO  36          1HD       PRO  36   9.125  -4.674   9.317
  259   2HD   PRO  36          2HD       PRO  36   7.703  -4.591  10.338
  260    H    VAL  37           H        VAL  37  10.679   0.192  11.056
  261    HA   VAL  37           HA       VAL  37  12.593  -0.374   8.971
  262    HB   VAL  37           HB       VAL  37  11.732   2.103  10.463
  263   1HG1  VAL  37          2HG1      VAL  37  14.151   2.249   9.964
  264   2HG1  VAL  37          3HG1      VAL  37  13.804   1.928   8.248
  265   3HG1  VAL  37          1HG1      VAL  37  13.194   3.413   9.017
  266   1HG2  VAL  37          2HG2      VAL  37  10.769   0.738   8.151
  267   2HG2  VAL  37          3HG2      VAL  37  10.202   2.272   8.852
  268   3HG2  VAL  37          1HG2      VAL  37  11.485   2.278   7.618
  269    H    ASN  38           H        ASN  38  12.916   1.399  12.125
  270    HA   ASN  38           HA       ASN  38  15.612   0.415  12.260
  271   1HB   ASN  38          1HB       ASN  38  14.337   2.797  13.045
  272   2HB   ASN  38          2HB       ASN  38  14.598   1.977  14.572
  273   1HD2  ASN  38          2HD2      ASN  38  17.545   4.076  13.096
  274   2HD2  ASN  38          1HD2      ASN  38  15.836   4.298  12.925
  275    H    GLY  39           H        GLY  39  13.572  -1.607  12.528
  276   1HA   GLY  39          1HA       GLY  39  13.223  -3.422  13.833
  277   2HA   GLY  39          2HA       GLY  39  14.278  -2.742  15.056
  278    H    LYS  40           H        LYS  40  12.089  -0.306  14.282
  279    HA   LYS  40           HA       LYS  40  10.238  -1.209  16.379
  280   1HB   LYS  40          1HB       LYS  40  10.150   0.993  17.260
  281   2HB   LYS  40          2HB       LYS  40  11.846   0.585  17.091
  282   1HG   LYS  40          1HG       LYS  40  11.529   1.718  14.674
  283   2HG   LYS  40          2HG       LYS  40  10.186   2.516  15.469
  284   1HD   LYS  40          1HD       LYS  40  12.359   2.672  17.306
  285   2HD   LYS  40          2HD       LYS  40  13.048   3.033  15.736
  286   1HE   LYS  40          1HE       LYS  40  12.235   5.142  15.983
  287   2HE   LYS  40          2HE       LYS  40  10.639   4.471  15.711
  288   1HZ   LYS  40          1HZ       LYS  40  11.203   3.960  18.368
  289   2HZ   LYS  40          2HZ       LYS  40  11.723   5.485  18.135
  290    H    GLU  41           H        GLU  41   8.133  -1.336  15.792
  291    HA   GLU  41           HA       GLU  41   7.486  -0.675  13.115
  292   1HB   GLU  41          1HB       GLU  41   6.607  -2.659  14.503
  293   2HB   GLU  41          2HB       GLU  41   5.555  -1.515  15.311
  294   1HG   GLU  41          1HG       GLU  41   5.251  -0.977  12.534
  295   2HG   GLU  41          2HG       GLU  41   5.272  -2.724  12.665
  296    H    ASP  42           H        ASP  42   7.761   1.632  12.979
  297    HA   ASP  42           HA       ASP  42   6.334   3.282  14.790
  298   1HB   ASP  42          1HB       ASP  42   8.470   3.989  13.731
  299   2HB   ASP  42          2HB       ASP  42   7.735   3.890  12.144
  300    H    TYR  43           H        TYR  43   4.715   4.982  13.887
  301    HA   TYR  43           HA       TYR  43   3.097   3.757  11.754
  302   1HB   TYR  43          1HB       TYR  43   2.377   5.480  14.208
  303   2HB   TYR  43          2HB       TYR  43   1.203   4.870  13.059
  304    HD1  TYR  43           HD1      TYR  43   1.320   2.197  12.715
  305    HD2  TYR  43           HD2      TYR  43   2.655   4.307  16.190
  306    HE1  TYR  43           HE1      TYR  43   1.068   0.083  14.105
  307    HE2  TYR  43           HE2      TYR  43   2.399   2.186  17.567
  308    HH   TYR  43           HH       TYR  43   0.627  -0.217  16.861
  309    H    ARG  44           H        ARG  44   4.221   4.995  10.109
  310    HA   ARG  44           HA       ARG  44   3.359   7.768  10.176
  311   1HB   ARG  44          1HB       ARG  44   6.072   6.831  10.216
  312   2HB   ARG  44          2HB       ARG  44   5.799   7.475   8.609
  313   1HG   ARG  44          1HG       ARG  44   5.254   9.643   9.425
  314   2HG   ARG  44          2HG       ARG  44   4.893   9.054  11.035
  315   1HD   ARG  44          1HD       ARG  44   7.623   8.340  10.476
  316   2HD   ARG  44          2HD       ARG  44   7.422  10.013   9.992
  317    HE   ARG  44           HE       ARG  44   6.291   9.321  12.633
  318   1HH1  ARG  44          2HH2      ARG  44   9.057  10.640  10.854
  319   2HH1  ARG  44          1HH2      ARG  44   9.713  11.456  12.234
  320    HH2  ARG  44           HH1      ARG  44   8.579  11.300  14.339
  321    H    LYS  45           H        LYS  45   3.794   8.696   7.721
  322    HA   LYS  45           HA       LYS  45   2.206   6.981   6.063
  323   1HB   LYS  45          1HB       LYS  45   3.335   9.768   5.761
  324   2HB   LYS  45          2HB       LYS  45   2.508   8.954   4.448
  325   1HG   LYS  45          1HG       LYS  45   0.667   9.963   5.413
  326   2HG   LYS  45          2HG       LYS  45   0.671   8.495   6.370
  327   1HD   LYS  45          1HD       LYS  45   1.881   9.603   8.191
  328   2HD   LYS  45          2HD       LYS  45   2.131  11.039   7.217
  329   1HE   LYS  45          1HE       LYS  45  -0.722  10.206   7.488
  330   2HE   LYS  45          2HE       LYS  45   0.039  10.698   8.988
  331   1HZ   LYS  45          1HZ       LYS  45  -0.312  12.305   6.536
  332   2HZ   LYS  45          2HZ       LYS  45  -0.738  12.689   8.061
  333    H    CYS  46           H        CYS  46   2.822   5.908   4.170
  334    HA   CYS  46           HA       CYS  46   5.452   4.976   4.127
  335   1HB   CYS  46          1HB       CYS  46   3.677   4.823   1.719
  336   2HB   CYS  46          2HB       CYS  46   4.818   3.646   2.339
  337    H    GLY  47           H        GLY  47   3.607   7.208   1.916
  338   1HA   GLY  47          1HA       GLY  47   5.905   7.909   0.380
  339   2HA   GLY  47          2HA       GLY  47   4.327   8.672   0.356
  340    H    THR  48           H        THR  48   6.911   8.238   2.887
  341    HA   THR  48           HA       THR  48   6.619  11.100   3.485
  342    HB   THR  48           HB       THR  48   7.185   8.595   5.048
  343    HG1  THR  48           HG1      THR  48   6.054  11.264   5.526
  344   1HG2  THR  48          2HG2      THR  48   8.636  11.210   5.419
  345   2HG2  THR  48          3HG2      THR  48   7.932  10.460   6.872
  346   3HG2  THR  48          1HG2      THR  48   9.130   9.569   5.902
  347    H    ALA  49           H        ALA  49   8.330  12.515   3.427
  348    HA   ALA  49           HA       ALA  49  10.334  12.018   1.597
  349   1HB   ALA  49          1HB       ALA  49   9.472  14.123   3.374
  350   2HB   ALA  49          2HB       ALA  49  11.245  13.987   3.441
  351   3HB   ALA  49          3HB       ALA  49  10.431  14.244   1.879
  352    H    GLY  50           H        GLY  50  12.180  10.836   1.660
  353   1HA   GLY  50          1HA       GLY  50  14.221  10.291   2.725
  354   2HA   GLY  50          2HA       GLY  50  13.429  10.368   4.287
  355    H    CYS  51           H        CYS  51  10.973   8.916   3.138
  356    HA   CYS  51           HA       CYS  51  12.104   6.265   3.482
  357   1HB   CYS  51          1HB       CYS  51   9.232   7.243   3.573
  358   2HB   CYS  51          2HB       CYS  51   9.718   5.572   3.782
  359    H    HIS  52           H        HIS  52   9.029   6.447   1.870
  360    HA   HIS  52           HA       HIS  52  10.300   5.506  -0.564
  361   1HB   HIS  52          1HB       HIS  52   7.424   5.445   0.387
  362   2HB   HIS  52          2HB       HIS  52   7.957   4.850  -1.173
  363    HD1  HIS  52           HD1      HIS  52   9.900   2.865  -1.001
  364    HD2  HIS  52           HD2      HIS  52   7.516   3.568   2.379
  365    HE1  HIS  52           HE1      HIS  52  10.106   0.786   0.465
  366    H    ASP  53           H        ASP  53  11.128   7.795  -0.916
  367    HA   ASP  53           HA       ASP  53   8.989   9.469  -1.959
  368   1HB   ASP  53          1HB       ASP  53  10.304  11.345  -1.467
  369   2HB   ASP  53          2HB       ASP  53  10.741  10.263  -0.160
  370    H    SER  54           H        SER  54  10.565   7.039  -3.155
  371    HA   SER  54           HA       SER  54  12.149   8.253  -5.188
  372   1HB   SER  54          1HB       SER  54  12.553   5.961  -4.103
  373   2HB   SER  54          2HB       SER  54  11.197   5.364  -5.039
  374    HG   SER  54           HG       SER  54  12.334   6.019  -6.993
  375    H    MET  55           H        MET  55  11.033   9.420  -6.738
  376    HA   MET  55           HA       MET  55   8.459   8.444  -7.573
  377   1HB   MET  55          1HB       MET  55   9.829  10.987  -7.411
  378   2HB   MET  55          2HB       MET  55   9.429  10.730  -9.098
  379   1HG   MET  55          1HG       MET  55   7.395  11.614  -8.483
  380   2HG   MET  55          2HG       MET  55   7.058   9.974  -7.965
  381   1HE   MET  55          3HE       MET  55   7.892   9.080  -5.670
  382   2HE   MET  55          1HE       MET  55   7.354   9.961  -4.220
  383   3HE   MET  55          2HE       MET  55   6.183   9.546  -5.494
  384    H    ASP  56           H        ASP  56  10.708   6.739  -8.230
  385    HA   ASP  56           HA       ASP  56  10.975   7.223 -11.083
  386   1HB   ASP  56          1HB       ASP  56  12.456   5.140  -9.426
  387   2HB   ASP  56          2HB       ASP  56  12.890   5.737 -11.016
  388    H    LYS  57           H        LYS  57   8.485   6.420 -10.774
  389    HA   LYS  57           HA       LYS  57   7.738   3.933 -10.096
  390   1HB   LYS  57          1HB       LYS  57   6.127   5.544 -10.794
  391   2HB   LYS  57          2HB       LYS  57   6.828   5.675 -12.394
  392   1HG   LYS  57          1HG       LYS  57   6.255   2.903 -12.024
  393   2HG   LYS  57          2HG       LYS  57   4.859   3.763 -11.407
  394   1HD   LYS  57          1HD       LYS  57   4.328   4.695 -13.483
  395   2HD   LYS  57          2HD       LYS  57   5.993   4.707 -14.030
  396   1HE   LYS  57          1HE       LYS  57   5.751   2.059 -13.936
  397   2HE   LYS  57          2HE       LYS  57   4.032   2.397 -13.989
  398   1HZ   LYS  57          1HZ       LYS  57   5.512   3.907 -15.939
  399   2HZ   LYS  57          2HZ       LYS  57   5.667   2.302 -16.162
  400    H    LYS  58           H        LYS  58   9.571   4.909 -13.010
  401    HA   LYS  58           HA       LYS  58   9.549   2.141 -13.921
  402   1HB   LYS  58          1HB       LYS  58   9.213   4.386 -15.336
  403   2HB   LYS  58          2HB       LYS  58  10.962   4.313 -15.407
  404   1HG   LYS  58          1HG       LYS  58  10.532   2.957 -17.222
  405   2HG   LYS  58          2HG       LYS  58  10.444   1.718 -15.987
  406   1HD   LYS  58          1HD       LYS  58   8.053   1.739 -15.958
  407   2HD   LYS  58          2HD       LYS  58   7.965   3.298 -16.753
  408   1HE   LYS  58          1HE       LYS  58   8.081   2.367 -18.835
  409   2HE   LYS  58          2HE       LYS  58   9.423   1.331 -18.391
  410   1HZ   LYS  58          1HZ       LYS  58   8.013  -0.369 -17.883
  411   2HZ   LYS  58          2HZ       LYS  58   6.861   0.584 -17.238
  412    H    ASP  59           H        ASP  59  10.759   1.696 -11.775
  413    HA   ASP  59           HA       ASP  59  13.520   1.556 -12.491
  414   1HB   ASP  59          1HB       ASP  59  13.210   3.764 -11.229
  415   2HB   ASP  59          2HB       ASP  59  12.712   2.827  -9.835
  416    H    LYS  60           H        LYS  60  10.961   1.172  -9.944
  417    HA   LYS  60           HA       LYS  60  10.391  -0.520  -8.647
  418   1HB   LYS  60          1HB       LYS  60  11.900  -2.062 -10.759
  419   2HB   LYS  60          2HB       LYS  60  11.183  -2.867  -9.378
  420   1HG   LYS  60          1HG       LYS  60   9.203  -2.869 -10.481
  421   2HG   LYS  60          2HG       LYS  60   9.153  -1.126 -10.305
  422   1HD   LYS  60          1HD       LYS  60  10.882  -1.375 -12.443
  423   2HD   LYS  60          2HD       LYS  60   9.852  -2.771 -12.693
  424   1HE   LYS  60          1HE       LYS  60   8.638  -0.045 -12.113
  425   2HE   LYS  60          2HE       LYS  60   9.137  -0.468 -13.739
  426   1HZ   LYS  60          1HZ       LYS  60   6.777  -1.036 -13.221
  427   2HZ   LYS  60          2HZ       LYS  60   7.631  -2.332 -13.714
  428    H    SER  61           H        SER  61  11.266   0.025  -6.686
  429    HA   SER  61           HA       SER  61  13.504  -1.478  -5.866
  430   1HB   SER  61          1HB       SER  61  14.267   0.847  -7.078
  431   2HB   SER  61          2HB       SER  61  14.034   1.436  -5.445
  432    HG   SER  61           HG       SER  61  15.498  -0.232  -4.686
  433    H    ALA  62           H        ALA  62  14.067  -0.812  -3.452
  434    HA   ALA  62           HA       ALA  62  11.795  -1.016  -1.939
  435   1HB   ALA  62          1HB       ALA  62  14.319  -1.349  -1.382
  436   2HB   ALA  62          2HB       ALA  62  14.287   0.375  -0.940
  437   3HB   ALA  62          3HB       ALA  62  13.231  -0.780  -0.093
  438    H    LYS  63           H        LYS  63  13.729   1.966  -2.685
  439    HA   LYS  63           HA       LYS  63  11.991   3.682  -1.300
  440   1HB   LYS  63          1HB       LYS  63  13.820   4.418  -3.597
  441   2HB   LYS  63          2HB       LYS  63  13.253   5.454  -2.303
  442   1HG   LYS  63          1HG       LYS  63  14.454   3.237  -0.994
  443   2HG   LYS  63          2HG       LYS  63  15.527   3.611  -2.329
  444   1HD   LYS  63          1HD       LYS  63  15.596   6.005  -1.607
  445   2HD   LYS  63          2HD       LYS  63  14.516   5.638  -0.277
  446   1HE   LYS  63          1HE       LYS  63  17.232   4.294  -0.667
  447   2HE   LYS  63          2HE       LYS  63  16.983   5.700   0.350
  448   1HZ   LYS  63          1HZ       LYS  63  16.752   3.221   1.270
  449   2HZ   LYS  63          2HZ       LYS  63  15.901   4.452   1.913
  450    H    GLY  64           H        GLY  64  11.825   2.081  -4.415
  451   1HA   GLY  64          1HA       GLY  64  10.221   3.826  -5.863
  452   2HA   GLY  64          2HA       GLY  64  10.251   2.081  -6.018
  453    H    TYR  65           H        TYR  65   8.671   4.860  -4.445
  454    HA   TYR  65           HA       TYR  65   6.974   3.639  -2.697
  455   1HB   TYR  65          1HB       TYR  65   7.206   6.097  -3.112
  456   2HB   TYR  65          2HB       TYR  65   6.605   5.907  -4.747
  457    HD1  TYR  65           HD1      TYR  65   5.501   5.185  -1.228
  458    HD2  TYR  65           HD2      TYR  65   4.395   6.482  -5.152
  459    HE1  TYR  65           HE1      TYR  65   3.135   5.642  -0.417
  460    HE2  TYR  65           HE2      TYR  65   2.032   6.934  -4.328
  461    HH   TYR  65           HH       TYR  65   0.716   5.694  -1.866
  462    H    TYR  66           H        TYR  66   6.613   3.985  -6.275
  463    HA   TYR  66           HA       TYR  66   4.038   2.737  -6.257
  464   1HB   TYR  66          1HB       TYR  66   4.584   4.336  -8.010
  465   2HB   TYR  66          2HB       TYR  66   6.179   3.649  -8.245
  466    HD1  TYR  66           HD1      TYR  66   6.400   1.406  -9.405
  467    HD2  TYR  66           HD2      TYR  66   2.712   3.570  -9.270
  468    HE1  TYR  66           HE1      TYR  66   5.513   0.031 -11.351
  469    HE2  TYR  66           HE2      TYR  66   1.837   2.187 -11.216
  470    HH   TYR  66           HH       TYR  66   3.908   0.146 -13.049
  471    H    HIS  67           H        HIS  67   7.045   1.494  -5.593
  472    HA   HIS  67           HA       HIS  67   6.539  -0.966  -7.085
  473   1HB   HIS  67          1HB       HIS  67   8.702  -0.521  -7.588
  474   2HB   HIS  67          2HB       HIS  67   8.965   0.443  -6.148
  475    HD1  HIS  67           HD1      HIS  67   9.463  -2.952  -7.543
  476    HD2  HIS  67           HD2      HIS  67   9.579  -1.122  -3.770
  477    HE1  HIS  67           HE1      HIS  67  10.672  -4.581  -5.995
  478    H    VAL  68           H        VAL  68   6.071   0.524  -4.055
  479    HA   VAL  68           HA       VAL  68   6.129  -2.075  -2.692
  480    HB   VAL  68           HB       VAL  68   5.933  -0.510  -0.645
  481   1HG1  VAL  68          1HG1      VAL  68   7.941  -1.876  -1.450
  482   2HG1  VAL  68          2HG1      VAL  68   8.551  -0.360  -2.156
  483   3HG1  VAL  68          3HG1      VAL  68   8.285  -0.480  -0.400
  484   1HG2  VAL  68          1HG2      VAL  68   5.422   1.527  -2.006
  485   2HG2  VAL  68          2HG2      VAL  68   6.797   1.727  -0.894
  486   3HG2  VAL  68          3HG2      VAL  68   7.088   1.473  -2.632
  487    H    MET  69           H        MET  69   4.082  -0.422  -4.558
  488    HA   MET  69           HA       MET  69   1.842  -0.885  -2.743
  489   1HB   MET  69          1HB       MET  69   2.024   1.051  -5.118
  490   2HB   MET  69          2HB       MET  69   0.647   0.890  -4.047
  491   1HG   MET  69          1HG       MET  69   3.382   1.551  -2.903
  492   2HG   MET  69          2HG       MET  69   2.404   2.818  -3.617
  493   1HE   MET  69          2HE       MET  69   3.457   2.846  -0.870
  494   2HE   MET  69          3HE       MET  69   2.288   2.637   0.456
  495   3HE   MET  69          1HE       MET  69   3.152   1.225  -0.200
  496    H    HIS  70           H        HIS  70   3.493  -1.935  -5.531
  497    HA   HIS  70           HA       HIS  70   1.120  -3.423  -6.347
  498   1HB   HIS  70          1HB       HIS  70   3.054  -2.255  -8.355
  499   2HB   HIS  70          2HB       HIS  70   1.526  -3.056  -8.667
  500    HD1  HIS  70           HD1      HIS  70   2.861   0.166  -7.105
  501    HD2  HIS  70           HD2      HIS  70  -0.659  -1.379  -8.784
  502    HE1  HIS  70           HE1      HIS  70   1.240   2.127  -7.299
  503    H    ASP  71           H        ASP  71   4.675  -3.055  -7.048
  504    HA   ASP  71           HA       ASP  71   5.289  -5.466  -7.866
  505   1HB   ASP  71          1HB       ASP  71   6.720  -3.354  -6.880
  506   2HB   ASP  71          2HB       ASP  71   7.010  -4.515  -5.600
  507    H    LYS  72           H        LYS  72   5.533  -7.596  -6.994
  508    HA   LYS  72           HA       LYS  72   4.519  -7.907  -4.262
  509   1HB   LYS  72          1HB       LYS  72   4.671 -10.088  -6.343
  510   2HB   LYS  72          2HB       LYS  72   3.689 -10.023  -4.893
  511   1HG   LYS  72          1HG       LYS  72   2.384  -8.121  -5.851
  512   2HG   LYS  72          2HG       LYS  72   3.377  -8.157  -7.294
  513   1HD   LYS  72          1HD       LYS  72   2.635 -10.733  -7.348
  514   2HD   LYS  72          2HD       LYS  72   1.307 -10.152  -6.365
  515   1HE   LYS  72          1HE       LYS  72   0.336  -9.010  -8.110
  516   2HE   LYS  72          2HE       LYS  72   1.873  -8.446  -8.734
  517   1HZ   LYS  72          1HZ       LYS  72   1.202 -11.300  -9.006
  518   2HZ   LYS  72          2HZ       LYS  72   0.538 -10.237 -10.045
  519    H    ASN  73           H        ASN  73   7.203  -8.594  -6.509
  520    HA   ASN  73           HA       ASN  73   8.507 -10.385  -4.812
  521   1HB   ASN  73          1HB       ASN  73   8.875  -9.777  -7.377
  522   2HB   ASN  73          2HB       ASN  73   9.968  -8.557  -6.755
  523   1HD2  ASN  73          2HD2      ASN  73  12.621 -10.725  -6.386
  524   2HD2  ASN  73          1HD2      ASN  73  11.988  -9.135  -6.658
  525    H    THR  74           H        THR  74   7.966  -8.793  -2.843
  526    HA   THR  74           HA       THR  74  10.319  -7.067  -2.466
  527    HB   THR  74           HB       THR  74   8.772  -5.502  -1.243
  528    HG1  THR  74           HG1      THR  74   6.413  -6.110  -1.789
  529   1HG2  THR  74          1HG2      THR  74   8.912  -5.819  -4.047
  530   2HG2  THR  74          2HG2      THR  74   7.167  -5.765  -3.699
  531   3HG2  THR  74          3HG2      THR  74   8.219  -4.423  -3.187
  532    H    LYS  75           H        LYS  75  11.071  -6.856  -0.272
  533    HA   LYS  75           HA       LYS  75  11.019  -9.325   1.068
  534   1HB   LYS  75          1HB       LYS  75  12.981  -8.000   1.204
  535   2HB   LYS  75          2HB       LYS  75  12.100  -6.587   1.749
  536   1HG   LYS  75          1HG       LYS  75  11.534  -7.719   3.881
  537   2HG   LYS  75          2HG       LYS  75  12.310  -9.192   3.333
  538   1HD   LYS  75          1HD       LYS  75  14.155  -8.368   4.407
  539   2HD   LYS  75          2HD       LYS  75  14.360  -7.395   2.964
  540   1HE   LYS  75          1HE       LYS  75  13.276  -5.484   3.971
  541   2HE   LYS  75          2HE       LYS  75  12.646  -6.443   5.296
  542   1HZ   LYS  75          1HZ       LYS  75  15.038  -5.083   5.286
  543   2HZ   LYS  75          2HZ       LYS  75  14.567  -6.164   6.410
  544    H    PHE  76           H        PHE  76   8.964  -6.479   1.152
  545    HA   PHE  76           HA       PHE  76   7.640  -7.584   3.537
  546   1HB   PHE  76          1HB       PHE  76   7.883  -4.770   2.307
  547   2HB   PHE  76          2HB       PHE  76   6.819  -5.118   3.655
  548    HD1  PHE  76           HD2      PHE  76   8.111  -6.445   5.667
  549    HD2  PHE  76           HD1      PHE  76   9.920  -3.804   2.829
  550    HE1  PHE  76           HE2      PHE  76  10.025  -6.009   7.283
  551    HE2  PHE  76           HE1      PHE  76  11.828  -3.377   4.454
  552    HZ   PHE  76           HZ       PHE  76  11.800  -4.570   6.698
  553    H    LYS  77           H        LYS  77   5.260  -7.360   3.596
  554    HA   LYS  77           HA       LYS  77   4.123  -8.219   1.172
  555   1HB   LYS  77          1HB       LYS  77   2.993  -7.425   3.859
  556   2HB   LYS  77          2HB       LYS  77   1.958  -7.893   2.525
  557   1HG   LYS  77          1HG       LYS  77   2.709 -10.109   2.524
  558   2HG   LYS  77          2HG       LYS  77   4.290  -9.692   3.156
  559   1HD   LYS  77          1HD       LYS  77   3.616  -9.958   5.318
  560   2HD   LYS  77          2HD       LYS  77   2.160  -9.016   5.069
  561   1HE   LYS  77          1HE       LYS  77   0.862 -10.875   4.698
  562   2HE   LYS  77          2HE       LYS  77   2.089 -11.664   3.728
  563   1HZ   LYS  77          1HZ       LYS  77   1.575 -11.955   6.536
  564   2HZ   LYS  77          2HZ       LYS  77   2.401 -12.946   5.542
  565    H    SER  78           H        SER  78   3.326  -7.098  -0.530
  566    HA   SER  78           HA       SER  78   3.215  -4.222  -0.194
  567   1HB   SER  78          1HB       SER  78   3.565  -4.039  -2.522
  568   2HB   SER  78          2HB       SER  78   4.556  -5.411  -2.068
  569    HG   SER  78           HG       SER  78   3.169  -5.714  -4.010
  570    H    CYS  79           H        CYS  79   1.356  -3.017  -1.181
  571    HA   CYS  79           HA       CYS  79  -1.045  -3.765  -0.264
  572   1HB   CYS  79          1HB       CYS  79  -0.637  -2.231  -2.838
  573   2HB   CYS  79          2HB       CYS  79  -2.049  -2.186  -1.802
  574    H    VAL  80           H        VAL  80  -0.116  -4.030  -3.782
  575    HA   VAL  80           HA       VAL  80  -2.237  -5.754  -4.399
  576    HB   VAL  80           HB       VAL  80   0.396  -5.202  -5.778
  577   1HG1  VAL  80          2HG1      VAL  80  -1.806  -7.046  -6.436
  578   2HG1  VAL  80          3HG1      VAL  80  -1.371  -5.928  -7.751
  579   3HG1  VAL  80          1HG1      VAL  80  -0.132  -6.990  -7.040
  580   1HG2  VAL  80          2HG2      VAL  80  -1.153  -3.254  -5.394
  581   2HG2  VAL  80          3HG2      VAL  80  -0.801  -3.604  -7.103
  582   3HG2  VAL  80          1HG2      VAL  80  -2.359  -4.096  -6.397
  583    H    GLY  81           H        GLY  81   1.112  -6.272  -3.254
  584   1HA   GLY  81          1HA       GLY  81   1.464  -8.943  -3.825
  585   2HA   GLY  81          2HA       GLY  81   2.118  -8.107  -2.431
  586    H    CYS  82           H        CYS  82   0.186  -7.566  -0.702
  587    HA   CYS  82           HA       CYS  82  -0.546 -10.063   0.297
  588   1HB   CYS  82          1HB       CYS  82  -0.159  -8.093   1.720
  589   2HB   CYS  82          2HB       CYS  82  -1.577  -7.309   1.054
  590    H    HIS  83           H        HIS  83  -2.331  -7.451  -1.464
  591    HA   HIS  83           HA       HIS  83  -4.856  -8.500  -1.301
  592   1HB   HIS  83          1HB       HIS  83  -3.435  -6.774  -3.307
  593   2HB   HIS  83          2HB       HIS  83  -5.065  -7.323  -3.642
  594    HD1  HIS  83           HD1      HIS  83  -6.021  -4.908  -3.451
  595    HD2  HIS  83           HD2      HIS  83  -4.180  -6.313   0.047
  596    HE1  HIS  83           HE1      HIS  83  -6.669  -3.278  -1.598
  597    H    VAL  84           H        VAL  84  -2.197  -9.249  -3.623
  598    HA   VAL  84           HA       VAL  84  -3.647 -10.891  -5.314
  599    HB   VAL  84           HB       VAL  84  -0.747 -10.866  -4.473
  600   1HG1  VAL  84          1HG1      VAL  84  -2.118 -12.936  -5.872
  601   2HG1  VAL  84          2HG1      VAL  84  -1.108 -12.065  -7.051
  602   3HG1  VAL  84          3HG1      VAL  84  -0.370 -12.759  -5.588
  603   1HG2  VAL  84          2HG2      VAL  84  -2.212  -9.069  -5.987
  604   2HG2  VAL  84          3HG2      VAL  84  -0.443  -9.262  -6.012
  605   3HG2  VAL  84          1HG2      VAL  84  -1.447 -10.105  -7.216
  606    H    GLU  85           H        GLU  85  -2.125 -11.519  -2.126
  607    HA   GLU  85           HA       GLU  85  -2.582 -14.303  -2.297
  608   1HB   GLU  85          1HB       GLU  85  -1.441 -12.384  -0.353
  609   2HB   GLU  85          2HB       GLU  85  -2.265 -13.732   0.406
  610   1HG   GLU  85          1HG       GLU  85  -0.690 -14.752  -1.801
  611   2HG   GLU  85          2HG       GLU  85   0.331 -13.711  -0.829
  612    H    VAL  86           H        VAL  86  -4.350 -11.459  -1.068
  613    HA   VAL  86           HA       VAL  86  -6.253 -12.982   0.400
  614    HB   VAL  86           HB       VAL  86  -6.275 -10.139  -0.633
  615   1HG1  VAL  86          1HG1      VAL  86  -8.447 -11.580   0.293
  616   2HG1  VAL  86          2HG1      VAL  86  -7.871 -10.740   1.753
  617   3HG1  VAL  86          3HG1      VAL  86  -8.291  -9.807   0.297
  618   1HG2  VAL  86          2HG2      VAL  86  -4.551 -11.184   1.192
  619   2HG2  VAL  86          3HG2      VAL  86  -5.115  -9.496   1.200
  620   3HG2  VAL  86          1HG2      VAL  86  -5.898 -10.700   2.251
  621    H    ALA  87           H        ALA  87  -6.299 -11.242  -2.789
  622    HA   ALA  87           HA       ALA  87  -8.879 -12.128  -3.460
  623   1HB   ALA  87          1HB       ALA  87  -6.530 -11.117  -5.110
  624   2HB   ALA  87          2HB       ALA  87  -8.163 -11.390  -5.765
  625   3HB   ALA  87          3HB       ALA  87  -7.906 -10.170  -4.495
  626    H    GLY  88           H        GLY  88  -5.603 -13.506  -3.811
  627   1HA   GLY  88          1HA       GLY  88  -4.880 -15.486  -4.598
  628   2HA   GLY  88          2HA       GLY  88  -6.389 -16.129  -3.981
  629    H    ALA  89           H        ALA  89  -7.832 -16.999  -5.422
  630    HA   ALA  89           HA       ALA  89  -7.570 -16.151  -8.222
  631   1HB   ALA  89          1HB       ALA  89  -7.304 -18.842  -6.986
  632   2HB   ALA  89          2HB       ALA  89  -8.327 -18.761  -8.440
  633   3HB   ALA  89          3HB       ALA  89  -6.636 -18.211  -8.510
  634    H    ASP  90           H        ASP  90  -9.341 -14.705  -7.042
  635    HA   ASP  90           HA       ASP  90 -11.843 -16.189  -7.097
  636   1HB   ASP  90          1HB       ASP  90 -11.569 -15.048  -4.997
  637   2HB   ASP  90          2HB       ASP  90 -10.980 -13.592  -5.774
  638    H    ALA  91           H        ALA  91  -9.843 -13.729  -8.612
  639    HA   ALA  91           HA       ALA  91 -10.085 -12.717 -10.589
  640   1HB   ALA  91          3HB       ALA  91 -12.084 -14.663 -10.727
  641   2HB   ALA  91          1HB       ALA  91 -12.944 -13.143 -11.072
  642   3HB   ALA  91          2HB       ALA  91 -11.540 -13.616 -12.059
  643    H    ALA  92           H        ALA  92 -13.473 -12.388  -9.351
  644    HA   ALA  92           HA       ALA  92 -13.801  -9.761  -9.760
  645   1HB   ALA  92          1HB       ALA  92 -15.412 -11.500  -8.797
  646   2HB   ALA  92          2HB       ALA  92 -14.703 -11.135  -7.206
  647   3HB   ALA  92          3HB       ALA  92 -15.538  -9.858  -8.122
  648    H    LYS  93           H        LYS  93 -12.376 -11.219  -6.751
  649    HA   LYS  93           HA       LYS  93 -11.739  -8.690  -5.658
  650   1HB   LYS  93          1HB       LYS  93 -10.938 -11.529  -4.996
  651   2HB   LYS  93          2HB       LYS  93 -10.314 -10.153  -4.108
  652   1HG   LYS  93          1HG       LYS  93 -13.293 -10.697  -4.509
  653   2HG   LYS  93          2HG       LYS  93 -12.394 -11.210  -3.095
  654   1HD   LYS  93          1HD       LYS  93 -12.558  -9.147  -2.167
  655   2HD   LYS  93          2HD       LYS  93 -11.843  -8.402  -3.582
  656   1HE   LYS  93          1HE       LYS  93 -13.882  -7.448  -3.935
  657   2HE   LYS  93          2HE       LYS  93 -14.405  -9.026  -4.487
  658   1HZ   LYS  93          1HZ       LYS  93 -15.878  -8.803  -2.789
  659   2HZ   LYS  93          2HZ       LYS  93 -14.659  -9.289  -1.824
  660    H    LYS  94           H        LYS  94 -10.070 -11.037  -7.772
  661    HA   LYS  94           HA       LYS  94  -7.512  -9.908  -7.512
  662   1HB   LYS  94          1HB       LYS  94  -8.235 -12.202  -8.443
  663   2HB   LYS  94          2HB       LYS  94  -8.540 -11.364  -9.950
  664   1HG   LYS  94          1HG       LYS  94  -6.021 -10.397  -9.228
  665   2HG   LYS  94          2HG       LYS  94  -5.959 -12.058  -8.673
  666   1HD   LYS  94          1HD       LYS  94  -6.783 -12.786 -10.972
  667   2HD   LYS  94          2HD       LYS  94  -6.647 -11.120 -11.497
  668   1HE   LYS  94          1HE       LYS  94  -4.188 -12.008 -10.155
  669   2HE   LYS  94          2HE       LYS  94  -4.592 -13.062 -11.496
  670   1HZ   LYS  94          1HZ       LYS  94  -3.576 -10.427 -11.609
  671   2HZ   LYS  94          2HZ       LYS  94  -3.808 -11.464 -12.843
  672    H    LYS  95           H        LYS  95 -10.401  -8.637  -8.790
  673    HA   LYS  95           HA       LYS  95  -8.844  -6.769 -10.441
  674   1HB   LYS  95          1HB       LYS  95 -10.793  -8.474 -11.356
  675   2HB   LYS  95          2HB       LYS  95 -11.723  -7.025 -11.030
  676   1HG   LYS  95          1HG       LYS  95 -10.491  -5.717 -12.566
  677   2HG   LYS  95          2HG       LYS  95  -9.088  -6.765 -12.495
  678   1HD   LYS  95          1HD       LYS  95 -11.202  -8.417 -13.438
  679   2HD   LYS  95          2HD       LYS  95 -11.398  -6.897 -14.286
  680   1HE   LYS  95          1HE       LYS  95  -8.619  -7.340 -14.371
  681   2HE   LYS  95          2HE       LYS  95  -9.294  -8.943 -14.583
  682   1HZ   LYS  95          1HZ       LYS  95  -9.821  -8.372 -16.675
  683   2HZ   LYS  95          2HZ       LYS  95 -10.781  -7.160 -16.165
  684    H    ASP  96           H        ASP  96 -10.526  -7.256  -7.554
  685    HA   ASP  96           HA       ASP  96 -11.343  -4.460  -7.513
  686   1HB   ASP  96          1HB       ASP  96 -12.539  -6.938  -6.510
  687   2HB   ASP  96          2HB       ASP  96 -12.326  -5.793  -5.201
  688    H    LEU  97           H        LEU  97  -8.951  -6.689  -6.562
  689    HA   LEU  97           HA       LEU  97  -8.233  -5.034  -4.242
  690   1HB   LEU  97          1HB       LEU  97  -7.972  -8.006  -4.663
  691   2HB   LEU  97          2HB       LEU  97  -7.041  -7.140  -3.457
  692    HG   LEU  97           HG       LEU  97 -10.019  -7.594  -3.567
  693   1HD1  LEU  97          2HD1      LEU  97  -8.488  -9.265  -2.493
  694   2HD1  LEU  97          3HD1      LEU  97  -8.050  -8.013  -1.306
  695   3HD1  LEU  97          1HD1      LEU  97  -9.732  -8.586  -1.416
  696   1HD2  LEU  97          2HD2      LEU  97  -8.546  -5.479  -1.987
  697   2HD2  LEU  97          3HD2      LEU  97  -9.925  -5.276  -3.095
  698   3HD2  LEU  97          1HD2      LEU  97 -10.152  -6.097  -1.532
  699    H    THR  98           H        THR  98  -7.126  -6.974  -7.069
  700    HA   THR  98           HA       THR  98  -4.647  -5.380  -7.009
  701    HB   THR  98           HB       THR  98  -3.479  -7.345  -7.787
  702    HG1  THR  98           HG1      THR  98  -6.193  -8.450  -7.988
  703   1HG2  THR  98          1HG2      THR  98  -5.648  -8.257  -5.823
  704   2HG2  THR  98          2HG2      THR  98  -4.192  -9.198  -6.228
  705   3HG2  THR  98          3HG2      THR  98  -4.037  -7.635  -5.389
  706    H    GLY  99           H        GLY  99  -7.436  -4.964  -8.265
  707   1HA   GLY  99          1HA       GLY  99  -7.211  -5.329 -11.045
  708   2HA   GLY  99          2HA       GLY  99  -8.267  -4.207 -10.211
  709    H    CYS 100           H        CYS 100  -6.864  -3.689 -12.714
  710    HA   CYS 100           HA       CYS 100  -4.765  -1.848 -11.900
  711   1HB   CYS 100          1HB       CYS 100  -5.462  -3.286 -14.391
  712   2HB   CYS 100          2HB       CYS 100  -4.843  -1.660 -14.604
  713    H    LYS 101           H        LYS 101  -7.934  -2.062 -13.636
  714    HA   LYS 101           HA       LYS 101  -8.302   0.784 -13.063
  715   1HB   LYS 101          1HB       LYS 101  -7.553   0.470 -15.435
  716   2HB   LYS 101          2HB       LYS 101  -8.979  -0.507 -15.721
  717   1HG   LYS 101          1HG       LYS 101 -10.294   1.560 -14.728
  718   2HG   LYS 101          2HG       LYS 101  -8.822   2.450 -15.062
  719   1HD   LYS 101          1HD       LYS 101  -9.666   0.738 -17.325
  720   2HD   LYS 101          2HD       LYS 101 -10.869   1.938 -16.895
  721   1HE   LYS 101          1HE       LYS 101  -9.498   3.091 -18.443
  722   2HE   LYS 101          2HE       LYS 101  -8.899   3.653 -16.895
  723   1HZ   LYS 101          1HZ       LYS 101  -7.362   1.496 -17.265
  724   2HZ   LYS 101          2HZ       LYS 101  -7.590   1.917 -18.822
  725    H    LYS 102           H        LYS 102 -10.400   1.355 -12.450
  726    HA   LYS 102           HA       LYS 102 -12.457   1.070 -11.700
  727   1HB   LYS 102          1HB       LYS 102 -12.452  -1.199 -13.700
  728   2HB   LYS 102          2HB       LYS 102 -13.859  -0.799 -12.736
  729   1HG   LYS 102          1HG       LYS 102 -12.901   1.680 -13.782
  730   2HG   LYS 102          2HG       LYS 102 -12.830   0.540 -15.111
  731   1HD   LYS 102          1HD       LYS 102 -15.236  -0.136 -14.529
  732   2HD   LYS 102          2HD       LYS 102 -15.268   1.205 -13.401
  733   1HE   LYS 102          1HE       LYS 102 -15.863   2.560 -15.121
  734   2HE   LYS 102          2HE       LYS 102 -14.264   2.327 -15.799
  735   1HZ   LYS 102          1HZ       LYS 102 -15.872   1.646 -17.424
  736   2HZ   LYS 102          2HZ       LYS 102 -15.170   0.277 -16.890
  737    H    SER 103           H        SER 103 -10.404   0.299 -10.044
  738    HA   SER 103           HA       SER 103 -11.477  -2.151  -8.877
  739   1HB   SER 103          1HB       SER 103  -8.993  -1.866  -7.715
  740   2HB   SER 103          2HB       SER 103  -9.339  -2.890  -9.094
  741    HG   SER 103           HG       SER 103  -8.505  -0.119  -9.269
  742    H    LYS 104           H        LYS 104 -10.387  -2.027  -6.325
  743    HA   LYS 104           HA       LYS 104 -11.981   0.032  -5.161
  744   1HB   LYS 104          1HB       LYS 104 -10.113  -1.990  -3.885
  745   2HB   LYS 104          2HB       LYS 104 -11.266  -0.982  -3.034
  746   1HG   LYS 104          1HG       LYS 104 -12.252  -2.701  -5.320
  747   2HG   LYS 104          2HG       LYS 104 -11.908  -3.465  -3.780
  748   1HD   LYS 104          1HD       LYS 104 -13.370  -1.172  -3.060
  749   2HD   LYS 104          2HD       LYS 104 -14.151  -1.706  -4.534
  750   1HE   LYS 104          1HE       LYS 104 -13.492  -3.779  -2.436
  751   2HE   LYS 104          2HE       LYS 104 -14.851  -2.711  -2.148
  752   1HZ   LYS 104          1HZ       LYS 104 -14.701  -4.905  -3.943
  753   2HZ   LYS 104          2HZ       LYS 104 -16.017  -4.052  -3.501
  754    H    CYS 105           H        CYS 105  -8.570  -0.453  -5.990
  755    HA   CYS 105           HA       CYS 105  -7.718   1.726  -4.333
  756   1HB   CYS 105          1HB       CYS 105  -6.206   0.166  -6.455
  757   2HB   CYS 105          2HB       CYS 105  -5.502   1.321  -5.340
  758    H    HIS 106           H        HIS 106  -7.613   1.021  -7.912
  759    HA   HIS 106           HA       HIS 106  -7.680   3.892  -8.371
  760   1HB   HIS 106          1HB       HIS 106  -7.070   1.564 -10.212
  761   2HB   HIS 106          2HB       HIS 106  -7.097   3.242 -10.716
  762    HD1  HIS 106           HD1      HIS 106  -5.431   4.794  -8.907
  763    HD2  HIS 106           HD2      HIS 106  -4.519   0.777  -9.701
  764    HE1  HIS 106           HE1      HIS 106  -2.964   4.495  -8.333
  765    H    GLU 107           H        GLU 107  -9.276   4.894  -9.700
  766    HA   GLU 107           HA       GLU 107 -11.479   3.182 -10.473
  767   1HB   GLU 107          1HB       GLU 107 -11.723   5.625  -8.670
  768   2HB   GLU 107          2HB       GLU 107 -13.090   4.922  -9.512
  769   1HG   GLU 107          1HG       GLU 107 -11.392   3.007  -7.953
  770   2HG   GLU 107          2HG       GLU 107 -12.307   4.161  -7.004
  771    HHA  HEC 108           HHA      HEC 108  -0.848   6.558   7.512
  772    HHB  HEC 108           HHB      HEC 108  -1.400   3.925  13.332
  773    HHC  HEC 108           HHC      HEC 108  -2.747  -1.737  10.649
  774    HHD  HEC 108           HHD      HEC 108  -1.188   0.743   4.839
  775   1HMA  HEC 108          1HMA      HEC 108  -0.818   5.832  13.579
  776   2HMA  HEC 108          2HMA      HEC 108  -0.116   7.271  12.802
  777   3HMA  HEC 108          3HMA      HEC 108  -1.881   7.123  12.972
  778   1HAA  HEC 108          1HAA      HEC 108  -0.332   7.945   8.834
  779   2HAA  HEC 108          2HAA      HEC 108  -1.446   8.479  10.116
  780   1HBA  HEC 108          1HBA      HEC 108   1.076   7.684  11.264
  781   2HBA  HEC 108          2HBA      HEC 108   1.328   8.873   9.964
  782   1HMB  HEC 108          1HMB      HEC 108  -1.488   2.054  15.011
  783   2HMB  HEC 108          2HMB      HEC 108  -3.160   2.583  14.703
  784   3HMB  HEC 108          3HMB      HEC 108  -2.834   0.904  15.195
  785    HAB  HEC 108           HAB      HEC 108  -3.303  -1.843  12.537
  786   1HBB  HEC 108          1HBB      HEC 108  -4.661   0.134  14.038
  787   2HBB  HEC 108          2HBB      HEC 108  -5.091  -1.578  13.810
  788   3HBB  HEC 108          3HBB      HEC 108  -4.075  -1.092  15.188
  789   1HMC  HEC 108          1HMC      HEC 108  -3.495  -3.386   7.763
  790   2HMC  HEC 108          2HMC      HEC 108  -1.761  -3.791   7.763
  791   3HMC  HEC 108          3HMC      HEC 108  -2.553  -3.266   9.268
  792    HAC  HEC 108           HAC      HEC 108  -2.026  -1.166   4.535
  793   1HBC  HEC 108          1HBC      HEC 108  -3.105  -3.114   4.143
  794   2HBC  HEC 108          2HBC      HEC 108  -2.314  -3.961   5.493
  795   3HBC  HEC 108          3HBC      HEC 108  -3.668  -2.851   5.811
  796   1HMD  HEC 108          1HMD      HEC 108  -0.034   2.064   3.508
  797   2HMD  HEC 108          2HMD      HEC 108  -1.459   3.021   3.038
  798   3HMD  HEC 108          3HMD      HEC 108   0.148   3.783   3.086
  799   1HAD  HEC 108          1HAD      HEC 108  -0.573   6.772   5.525
  800   2HAD  HEC 108          2HAD      HEC 108   0.825   5.985   4.754
  801   1HBD  HEC 108          1HBD      HEC 108  -1.416   5.228   3.233
  802   2HBD  HEC 108          2HBD      HEC 108  -1.612   6.963   3.578
  803    HHA  HEC 109           HHA      HEC 109  11.682  -2.158   1.619
  804    HHB  HEC 109           HHB      HEC 109   5.310  -1.507   1.321
  805    HHC  HEC 109           HHC      HEC 109   5.616   3.432   5.394
  806    HHD  HEC 109           HHD      HEC 109  12.074   3.415   4.762
  807   1HMA  HEC 109          1HMA      HEC 109   5.886  -2.947  -0.060
  808   2HMA  HEC 109          2HMA      HEC 109   7.228  -3.892  -0.749
  809   3HMA  HEC 109          3HMA      HEC 109   6.528  -4.353   0.822
  810   1HAA  HEC 109          1HAA      HEC 109  10.957  -3.791   0.717
  811   2HAA  HEC 109          2HAA      HEC 109   9.505  -4.760   0.368
  812   1HBA  HEC 109          1HBA      HEC 109   9.217  -3.470  -1.739
  813   2HBA  HEC 109          2HBA      HEC 109  10.758  -2.647  -1.399
  814   1HMB  HEC 109          1HMB      HEC 109   3.176  -1.352   2.967
  815   2HMB  HEC 109          2HMB      HEC 109   2.292   0.193   2.919
  816   3HMB  HEC 109          3HMB      HEC 109   3.194  -0.361   1.488
  817    HAB  HEC 109           HAB      HEC 109   3.720   2.805   5.358
  818   1HBB  HEC 109          1HBB      HEC 109   1.930   1.691   6.118
  819   2HBB  HEC 109          2HBB      HEC 109   1.443   1.148   4.494
  820   3HBB  HEC 109          3HBB      HEC 109   2.720   0.278   5.378
  821   1HMC  HEC 109          1HMC      HEC 109   7.936   5.502   7.516
  822   2HMC  HEC 109          2HMC      HEC 109   7.335   6.160   5.975
  823   3HMC  HEC 109          3HMC      HEC 109   6.468   4.824   6.771
  824    HAC  HEC 109           HAC      HEC 109  11.635   4.919   5.941
  825   1HBC  HEC 109          1HBC      HEC 109  10.375   4.353   8.184
  826   2HBC  HEC 109          2HBC      HEC 109  11.597   5.644   8.107
  827   3HBC  HEC 109          3HBC      HEC 109   9.865   6.054   8.064
  828   1HMD  HEC 109          1HMD      HEC 109  13.896   2.622   4.751
  829   2HMD  HEC 109          2HMD      HEC 109  14.806   1.096   4.635
  830   3HMD  HEC 109          3HMD      HEC 109  14.734   2.197   3.239
  831   1HAD  HEC 109          1HAD      HEC 109  13.604  -1.923   2.216
  832   2HAD  HEC 109          2HAD      HEC 109  14.429  -0.502   1.533
  833   1HBD  HEC 109          1HBD      HEC 109  14.730  -0.892   4.453
  834   2HBD  HEC 109          2HBD      HEC 109  15.498  -2.110   3.407
  835    HHA  HEC 110           HHA      HEC 110 -10.216  -4.752   0.974
  836    HHB  HEC 110           HHB      HEC 110  -6.386   0.105  -0.717
  837    HHC  HEC 110           HHC      HEC 110  -1.460  -2.797   2.169
  838    HHD  HEC 110           HHD      HEC 110  -5.163  -7.921   3.326
  839   1HMA  HEC 110          1HMA      HEC 110  -8.161   0.462  -1.485
  840   2HMA  HEC 110          2HMA      HEC 110  -9.578  -0.366  -2.175
  841   3HMA  HEC 110          3HMA      HEC 110  -9.721   0.507  -0.630
  842   1HAA  HEC 110          1HAA      HEC 110 -11.215  -2.080  -1.379
  843   2HAA  HEC 110          2HAA      HEC 110 -11.223  -3.593  -0.441
  844   1HBA  HEC 110          1HBA      HEC 110 -11.235  -1.478   1.435
  845   2HBA  HEC 110          2HBA      HEC 110 -12.423  -1.066   0.175
  846   1HMB  HEC 110          1HMB      HEC 110  -4.712   1.028  -1.353
  847   2HMB  HEC 110          2HMB      HEC 110  -3.747   1.783  -0.062
  848   3HMB  HEC 110          3HMB      HEC 110  -2.934   0.988  -1.431
  849    HAB  HEC 110           HAB      HEC 110  -0.746  -1.167   1.273
  850   1HBB  HEC 110          1HBB      HEC 110  -1.538   1.592   0.320
  851   2HBB  HEC 110          2HBB      HEC 110  -1.608   1.055   2.015
  852   3HBB  HEC 110          3HBB      HEC 110  -0.046   1.115   1.164
  853   1HMC  HEC 110          1HMC      HEC 110  -0.310  -5.467   3.974
  854   2HMC  HEC 110          2HMC      HEC 110  -0.059  -6.118   2.336
  855   3HMC  HEC 110          3HMC      HEC 110  -0.223  -4.363   2.581
  856    HAC  HEC 110           HAC      HEC 110  -3.234  -8.128   4.367
  857   1HBC  HEC 110          1HBC      HEC 110  -0.994  -8.702   4.983
  858   2HBC  HEC 110          2HBC      HEC 110  -0.318  -7.562   3.796
  859   3HBC  HEC 110          3HBC      HEC 110  -1.206  -6.950   5.211
  860   1HMD  HEC 110          1HMD      HEC 110  -8.563  -9.364   3.054
  861   2HMD  HEC 110          2HMD      HEC 110  -6.802  -9.227   3.273
  862   3HMD  HEC 110          3HMD      HEC 110  -7.905  -8.590   4.516
  863   1HAD  HEC 110          1HAD      HEC 110 -10.383  -8.101   2.814
  864   2HAD  HEC 110          2HAD      HEC 110 -10.884  -6.395   2.734
  865   1HBD  HEC 110          1HBD      HEC 110 -11.611  -6.638   0.654
  866   2HBD  HEC 110          2HBD      HEC 110 -10.072  -7.360   0.126
  867    HHA  HEC 111           HHA      HEC 111   0.408   5.463  -7.706
  868    HHB  HEC 111           HHB      HEC 111  -0.650   1.936 -12.954
  869    HHC  HEC 111           HHC      HEC 111  -3.360  -2.634  -9.373
  870    HHD  HEC 111           HHD      HEC 111  -3.058   1.329  -4.245
  871   1HMA  HEC 111          1HMA      HEC 111  -0.101   4.243 -13.511
  872   2HMA  HEC 111          2HMA      HEC 111   1.204   5.282 -12.889
  873   3HMA  HEC 111          3HMA      HEC 111   1.496   3.545 -13.149
  874   1HAA  HEC 111          1HAA      HEC 111   0.635   6.844 -10.746
  875   2HAA  HEC 111          2HAA      HEC 111   1.330   6.350  -9.184
  876   1HBA  HEC 111          1HBA      HEC 111   3.361   6.099 -10.060
  877   2HBA  HEC 111          2HBA      HEC 111   2.744   5.188 -11.459
  878   1HMB  HEC 111          1HMB      HEC 111  -0.982  -1.717 -14.007
  879   2HMB  HEC 111          2HMB      HEC 111  -1.816  -0.189 -14.382
  880   3HMB  HEC 111          3HMB      HEC 111  -0.121  -0.168 -13.837
  881    HAB  HEC 111           HAB      HEC 111  -3.415  -3.224 -11.414
  882   1HBB  HEC 111          1HBB      HEC 111  -0.503  -3.606 -12.139
  883   2HBB  HEC 111          2HBB      HEC 111  -1.320  -4.080 -10.630
  884   3HBB  HEC 111          3HBB      HEC 111  -1.729  -4.896 -12.158
  885   1HMC  HEC 111          1HMC      HEC 111  -4.305  -3.646  -6.134
  886   2HMC  HEC 111          2HMC      HEC 111  -5.747  -2.794  -6.737
  887   3HMC  HEC 111          3HMC      HEC 111  -4.520  -3.389  -7.882
  888    HAC  HEC 111           HAC      HEC 111  -3.891  -0.400  -3.632
  889   1HBC  HEC 111          1HBC      HEC 111  -4.113  -2.459  -2.733
  890   2HBC  HEC 111          2HBC      HEC 111  -5.147  -3.053  -4.055
  891   3HBC  HEC 111          3HBC      HEC 111  -3.385  -2.952  -4.281
  892   1HMD  HEC 111          1HMD      HEC 111  -2.542   2.839  -3.040
  893   2HMD  HEC 111          2HMD      HEC 111  -0.813   3.125  -2.732
  894   3HMD  HEC 111          3HMD      HEC 111  -1.916   4.503  -2.957
  895   1HAD  HEC 111          1HAD      HEC 111   0.564   5.339  -4.094
  896   2HAD  HEC 111          2HAD      HEC 111   0.688   5.915  -5.774
  897   1HBD  HEC 111          1HBD      HEC 111  -1.646   6.865  -5.477
  898   2HBD  HEC 111          2HBD      HEC 111  -1.458   6.522  -3.741
   
  No H/Q in entry =         898
  Start of MODEL   15
    1   1H    ALA   1          1H        ALA   1   1.141   3.188  22.976
    2   2H    ALA   1          2H        ALA   1   0.071   4.449  22.897
    3    HA   ALA   1           HA       ALA   1   1.162   3.714  20.802
    4   1HB   ALA   1          1HB       ALA   1   0.579   1.266  21.485
    5   2HB   ALA   1          2HB       ALA   1  -1.039   1.639  20.843
    6   3HB   ALA   1          3HB       ALA   1   0.386   1.743  19.781
    7    HA   PRO   2           HA       PRO   2  -2.036   6.377  19.573
    8   1HB   PRO   2          1HB       PRO   2  -1.184   6.937  17.038
    9   2HB   PRO   2          2HB       PRO   2  -0.555   7.744  18.460
   10   1HG   PRO   2          1HG       PRO   2   0.716   5.653  16.802
   11   2HG   PRO   2          2HG       PRO   2   1.463   6.757  17.940
   12   1HD   PRO   2          1HD       PRO   2   0.897   3.978  18.365
   13   2HD   PRO   2          2HD       PRO   2   1.536   5.109  19.541
   14    H    LYS   3           H        LYS   3  -4.051   6.408  18.632
   15    HA   LYS   3           HA       LYS   3  -4.811   3.852  17.611
   16   1HB   LYS   3          1HB       LYS   3  -6.138   6.332  18.520
   17   2HB   LYS   3          2HB       LYS   3  -6.981   5.477  17.244
   18   1HG   LYS   3          1HG       LYS   3  -5.917   3.726  19.411
   19   2HG   LYS   3          2HG       LYS   3  -7.156   4.852  19.929
   20   1HD   LYS   3          1HD       LYS   3  -8.470   4.023  17.796
   21   2HD   LYS   3          2HD       LYS   3  -7.354   2.672  17.826
   22   1HE   LYS   3          1HE       LYS   3  -9.132   1.863  19.141
   23   2HE   LYS   3          2HE       LYS   3  -8.022   2.455  20.361
   24   1HZ   LYS   3          1HZ       LYS   3  -9.304   4.511  20.477
   25   2HZ   LYS   3          2HZ       LYS   3 -10.302   4.028  19.285
   26    H    ALA   4           H        ALA   4  -5.951   3.557  15.507
   27    HA   ALA   4           HA       ALA   4  -4.348   4.515  13.411
   28   1HB   ALA   4          3HB       ALA   4  -6.037   2.413  13.792
   29   2HB   ALA   4          1HB       ALA   4  -7.067   3.471  12.798
   30   3HB   ALA   4          2HB       ALA   4  -5.477   2.951  12.191
   31    HA   PRO   5           HA       PRO   5  -6.359   8.206  12.394
   32   1HB   PRO   5          1HB       PRO   5  -5.734   8.463   9.746
   33   2HB   PRO   5          2HB       PRO   5  -4.621   8.869  11.037
   34   1HG   PRO   5          1HG       PRO   5  -4.612   6.510   9.255
   35   2HG   PRO   5          2HG       PRO   5  -3.310   7.147  10.240
   36   1HD   PRO   5          1HD       PRO   5  -4.928   4.850  10.813
   37   2HD   PRO   5          2HD       PRO   5  -3.705   5.555  11.851
   38    H    ALA   6           H        ALA   6  -8.154   9.270  11.398
   39    HA   ALA   6           HA       ALA   6 -10.323   7.585  11.135
   40   1HB   ALA   6          3HB       ALA   6  -9.743  10.425  10.247
   41   2HB   ALA   6          1HB       ALA   6 -11.332   9.667   9.985
   42   3HB   ALA   6          2HB       ALA   6 -10.704   9.868  11.638
   43    H    ASP   7           H        ASP   7 -11.765   7.769   8.952
   44    HA   ASP   7           HA       ASP   7 -10.139   6.408   7.023
   45   1HB   ASP   7          1HB       ASP   7 -13.134   7.004   7.125
   46   2HB   ASP   7          2HB       ASP   7 -12.372   6.027   5.886
   47    H    GLY   8           H        GLY   8 -10.540   6.995   4.596
   48   1HA   GLY   8          1HA       GLY   8 -11.073   8.558   2.952
   49   2HA   GLY   8          2HA       GLY   8 -11.239   9.808   4.169
   50    H    LEU   9           H        LEU   9  -8.474   7.706   4.572
   51    HA   LEU   9           HA       LEU   9  -6.711   9.904   4.140
   52   1HB   LEU   9          1HB       LEU   9  -6.229   8.451   5.929
   53   2HB   LEU   9          2HB       LEU   9  -6.367   7.021   4.925
   54    HG   LEU   9           HG       LEU   9  -4.024   7.919   5.675
   55   1HD1  LEU   9          1HD1      LEU   9  -4.954   6.310   3.545
   56   2HD1  LEU   9          2HD1      LEU   9  -3.629   7.307   2.899
   57   3HD1  LEU   9          3HD1      LEU   9  -3.358   6.287   4.332
   58   1HD2  LEU   9          2HD2      LEU   9  -4.706  10.205   4.539
   59   2HD2  LEU   9          3HD2      LEU   9  -3.027   9.614   4.507
   60   3HD2  LEU   9          1HD2      LEU   9  -4.072   9.404   3.081
   61    H    LYS  10           H        LYS  10  -6.776  10.569   1.987
   62    HA   LYS  10           HA       LYS  10  -6.374   8.548  -0.054
   63   1HB   LYS  10          1HB       LYS  10  -8.050  10.142  -0.576
   64   2HB   LYS  10          2HB       LYS  10  -7.042  11.494  -0.101
   65   1HG   LYS  10          1HG       LYS  10  -5.421  10.803  -1.976
   66   2HG   LYS  10          2HG       LYS  10  -6.646   9.671  -2.515
   67   1HD   LYS  10          1HD       LYS  10  -7.934  12.220  -2.103
   68   2HD   LYS  10          2HD       LYS  10  -6.477  12.506  -3.034
   69   1HE   LYS  10          1HE       LYS  10  -7.674  11.850  -4.857
   70   2HE   LYS  10          2HE       LYS  10  -7.510  10.215  -4.248
   71   1HZ   LYS  10          1HZ       LYS  10  -9.604  10.548  -3.009
   72   2HZ   LYS  10          2HZ       LYS  10  -9.761  12.050  -3.618
   73    H    MET  11           H        MET  11  -4.567   8.513  -1.488
   74    HA   MET  11           HA       MET  11  -2.272   9.935  -0.374
   75   1HB   MET  11          1HB       MET  11  -2.205   7.343  -2.002
   76   2HB   MET  11          2HB       MET  11  -0.910   8.012  -1.029
   77   1HG   MET  11          1HG       MET  11  -2.003   7.460   1.029
   78   2HG   MET  11          2HG       MET  11  -3.561   7.256   0.254
   79   1HE   MET  11          2HE       MET  11  -0.017   6.423  -0.009
   80   2HE   MET  11          3HE       MET  11  -0.014   4.845   0.814
   81   3HE   MET  11          1HE       MET  11   0.028   4.922  -0.964
   82    H    GLU  12           H        GLU  12  -2.263  11.773  -1.706
   83    HA   GLU  12           HA       GLU  12  -2.293  11.241  -4.563
   84   1HB   GLU  12          1HB       GLU  12  -3.924  12.913  -3.655
   85   2HB   GLU  12          2HB       GLU  12  -2.588  13.886  -3.073
   86   1HG   GLU  12          1HG       GLU  12  -2.451  13.106  -5.959
   87   2HG   GLU  12          2HG       GLU  12  -3.747  14.207  -5.537
   88    H    ALA  13           H        ALA  13  -0.008  10.300  -4.020
   89    HA   ALA  13           HA       ALA  13   1.945  12.488  -3.917
   90   1HB   ALA  13          1HB       ALA  13   1.758   9.828  -2.722
   91   2HB   ALA  13          2HB       ALA  13   3.273  10.035  -3.634
   92   3HB   ALA  13          3HB       ALA  13   2.856  11.174  -2.331
   93    H    THR  14           H        THR  14   0.333  10.263  -5.983
   94    HA   THR  14           HA       THR  14   2.395  10.719  -8.030
   95    HB   THR  14           HB       THR  14   2.264   8.419  -8.705
   96    HG1  THR  14           HG1      THR  14  -0.021   8.441  -6.859
   97   1HG2  THR  14          3HG2      THR  14   1.941   8.447  -5.657
   98   2HG2  THR  14          1HG2      THR  14   2.503   7.052  -6.608
   99   3HG2  THR  14          2HG2      THR  14   3.484   8.535  -6.539
  100    H    LYS  15           H        LYS  15   1.340  10.038 -10.291
  101    HA   LYS  15           HA       LYS  15  -0.702  11.927 -10.680
  102   1HB   LYS  15          1HB       LYS  15   1.061  11.235 -12.333
  103   2HB   LYS  15          2HB       LYS  15   0.198   9.728 -12.561
  104   1HG   LYS  15          1HG       LYS  15  -1.435  10.711 -13.828
  105   2HG   LYS  15          2HG       LYS  15  -1.575  12.087 -12.753
  106   1HD   LYS  15          1HD       LYS  15   0.741  12.829 -13.759
  107   2HD   LYS  15          2HD       LYS  15   0.392  11.677 -15.032
  108   1HE   LYS  15          1HE       LYS  15  -1.346  12.942 -15.903
  109   2HE   LYS  15          2HE       LYS  15  -1.842  13.547 -14.334
  110   1HZ   LYS  15          1HZ       LYS  15   0.500  14.480 -15.902
  111   2HZ   LYS  15          2HZ       LYS  15  -0.840  15.339 -15.555
  112    H    GLN  16           H        GLN  16  -0.766   8.786  -9.361
  113    HA   GLN  16           HA       GLN  16  -3.621   8.672  -9.933
  114   1HB   GLN  16          1HB       GLN  16  -1.825   6.227  -9.650
  115   2HB   GLN  16          2HB       GLN  16  -3.521   6.241 -10.091
  116   1HG   GLN  16          1HG       GLN  16  -1.724   7.912 -11.807
  117   2HG   GLN  16          2HG       GLN  16  -1.480   6.180 -11.916
  118   1HE2  GLN  16          2HE2      GLN  16  -4.868   5.480 -13.025
  119   2HE2  GLN  16          1HE2      GLN  16  -3.700   4.943 -11.864
  120    HA   PRO  17           HA       PRO  17  -3.240   8.762  -5.501
  121   1HB   PRO  17          1HB       PRO  17  -5.624  10.005  -5.011
  122   2HB   PRO  17          2HB       PRO  17  -4.126  10.875  -5.273
  123   1HG   PRO  17          1HG       PRO  17  -6.412  10.527  -7.114
  124   2HG   PRO  17          2HG       PRO  17  -5.123  11.712  -7.176
  125   1HD   PRO  17          1HD       PRO  17  -5.374   9.363  -8.802
  126   2HD   PRO  17          2HD       PRO  17  -4.029  10.485  -8.783
  127    H    VAL  18           H        VAL  18  -4.500   7.895  -3.630
  128    HA   VAL  18           HA       VAL  18  -6.561   6.051  -4.484
  129    HB   VAL  18           HB       VAL  18  -3.921   5.179  -3.304
  130   1HG1  VAL  18          1HG1      VAL  18  -6.615   3.895  -3.233
  131   2HG1  VAL  18          2HG1      VAL  18  -5.214   2.852  -3.572
  132   3HG1  VAL  18          3HG1      VAL  18  -5.269   3.807  -2.071
  133   1HG2  VAL  18          3HG2      VAL  18  -5.329   4.735  -5.928
  134   2HG2  VAL  18          1HG2      VAL  18  -3.640   5.198  -5.612
  135   3HG2  VAL  18          2HG2      VAL  18  -4.177   3.528  -5.309
  136    H    VAL  19           H        VAL  19  -7.862   5.297  -2.690
  137    HA   VAL  19           HA       VAL  19  -7.387   6.881  -0.259
  138    HB   VAL  19           HB       VAL  19  -9.932   6.118  -1.691
  139   1HG1  VAL  19          1HG1      VAL  19  -9.600   7.259   1.103
  140   2HG1  VAL  19          2HG1      VAL  19 -11.132   7.226   0.199
  141   3HG1  VAL  19          3HG1      VAL  19 -10.335   5.701   0.655
  142   1HG2  VAL  19          3HG2      VAL  19  -8.284   8.397  -1.801
  143   2HG2  VAL  19          1HG2      VAL  19  -9.926   8.213  -2.462
  144   3HG2  VAL  19          2HG2      VAL  19  -9.695   8.872  -0.825
  145    H    PHE  20           H        PHE  20  -6.674   5.609   1.367
  146    HA   PHE  20           HA       PHE  20  -7.416   2.787   1.314
  147   1HB   PHE  20          1HB       PHE  20  -5.015   3.700   1.567
  148   2HB   PHE  20          2HB       PHE  20  -5.514   4.473   3.059
  149    HD1  PHE  20           HD2      PHE  20  -5.043   1.165   1.424
  150    HD2  PHE  20           HD1      PHE  20  -5.570   3.270   5.111
  151    HE1  PHE  20           HE2      PHE  20  -4.463  -0.944   2.720
  152    HE2  PHE  20           HE1      PHE  20  -4.988   1.154   6.394
  153    HZ   PHE  20           HZ       PHE  20  -4.415  -0.944   5.078
  154    H    ASN  21           H        ASN  21  -7.619   1.841   3.702
  155    HA   ASN  21           HA       ASN  21  -9.088   3.672   5.371
  156   1HB   ASN  21          1HB       ASN  21 -10.247   1.066   4.258
  157   2HB   ASN  21          2HB       ASN  21 -10.947   1.916   5.621
  158   1HD2  ASN  21          2HD2      ASN  21 -11.256   3.343   1.760
  159   2HD2  ASN  21          1HD2      ASN  21 -10.126   2.110   2.211
  160    H    HIS  22           H        HIS  22  -8.725   3.145   7.574
  161    HA   HIS  22           HA       HIS  22  -7.012   0.852   8.024
  162   1HB   HIS  22          1HB       HIS  22  -7.631   3.391   9.480
  163   2HB   HIS  22          2HB       HIS  22  -7.073   2.018  10.415
  164    HD1  HIS  22           HD1      HIS  22  -5.935   4.541   7.876
  165    HD2  HIS  22           HD2      HIS  22  -4.374   1.247   9.951
  166    HE1  HIS  22           HE1      HIS  22  -3.407   4.618   7.541
  167    H    SER  23           H        SER  23 -10.325   1.622   8.050
  168    HA   SER  23           HA       SER  23 -10.919  -0.058  10.303
  169   1HB   SER  23          1HB       SER  23 -12.462   1.768   8.487
  170   2HB   SER  23          2HB       SER  23 -13.355   0.457   9.233
  171    HG   SER  23           HG       SER  23 -11.634   1.992  10.911
  172    H    THR  24           H        THR  24 -10.022  -0.540   7.112
  173    HA   THR  24           HA       THR  24 -11.803  -2.852   6.761
  174    HB   THR  24           HB       THR  24 -10.089  -1.184   4.851
  175    HG1  THR  24           HG1      THR  24 -12.083  -0.236   4.722
  176   1HG2  THR  24          3HG2      THR  24 -10.876  -3.929   4.558
  177   2HG2  THR  24          1HG2      THR  24 -12.005  -2.963   3.579
  178   3HG2  THR  24          2HG2      THR  24 -10.253  -2.844   3.292
  179    H    HIS  25           H        HIS  25  -8.436  -1.826   7.233
  180    HA   HIS  25           HA       HIS  25  -7.628  -4.616   6.943
  181   1HB   HIS  25          1HB       HIS  25  -5.962  -2.088   7.105
  182   2HB   HIS  25          2HB       HIS  25  -5.326  -3.710   6.916
  183    HD1  HIS  25           HD1      HIS  25  -7.606  -1.263   5.055
  184    HD2  HIS  25           HD2      HIS  25  -5.113  -4.553   4.310
  185    HE1  HIS  25           HE1      HIS  25  -7.488  -1.510   2.518
  186    H    LYS  26           H        LYS  26  -9.273  -3.818   9.184
  187    HA   LYS  26           HA       LYS  26  -7.658  -3.264  11.431
  188   1HB   LYS  26          1HB       LYS  26 -10.413  -4.525  11.324
  189   2HB   LYS  26          2HB       LYS  26  -9.666  -3.762  12.713
  190   1HG   LYS  26          1HG       LYS  26  -9.579  -1.591  11.503
  191   2HG   LYS  26          2HG       LYS  26 -10.261  -2.342  10.074
  192   1HD   LYS  26          1HD       LYS  26 -12.195  -1.459  11.031
  193   2HD   LYS  26          2HD       LYS  26 -12.214  -3.066  11.732
  194   1HE   LYS  26          1HE       LYS  26 -11.380  -2.292  13.838
  195   2HE   LYS  26          2HE       LYS  26 -10.803  -0.783  13.159
  196   1HZ   LYS  26          1HZ       LYS  26 -13.051  -0.826  14.440
  197   2HZ   LYS  26          2HZ       LYS  26 -12.950   0.076  13.088
  198    H    SER  27           H        SER  27  -8.769  -6.253   9.793
  199    HA   SER  27           HA       SER  27  -7.853  -7.928  11.863
  200   1HB   SER  27          1HB       SER  27  -8.258  -9.754  10.236
  201   2HB   SER  27          2HB       SER  27  -9.613  -8.644  10.303
  202    HG   SER  27           HG       SER  27  -9.115  -7.820   8.306
  203    H    VAL  28           H        VAL  28  -6.292  -6.074   9.424
  204    HA   VAL  28           HA       VAL  28  -4.075  -7.904   9.099
  205    HB   VAL  28           HB       VAL  28  -4.458  -5.072   8.112
  206   1HG1  VAL  28          3HG1      VAL  28  -2.134  -6.448   8.186
  207   2HG1  VAL  28          1HG1      VAL  28  -2.784  -7.035   6.637
  208   3HG1  VAL  28          2HG1      VAL  28  -2.550  -5.290   6.900
  209   1HG2  VAL  28          2HG2      VAL  28  -6.225  -6.813   7.419
  210   2HG2  VAL  28          3HG2      VAL  28  -5.408  -5.899   6.128
  211   3HG2  VAL  28          1HG2      VAL  28  -4.917  -7.573   6.481
  212    H    LYS  29           H        LYS  29  -2.034  -7.680  10.028
  213    HA   LYS  29           HA       LYS  29  -1.970  -6.267  12.484
  214   1HB   LYS  29          1HB       LYS  29  -0.484  -8.335  11.167
  215   2HB   LYS  29          2HB       LYS  29   0.641  -7.099  11.693
  216   1HG   LYS  29          1HG       LYS  29  -0.444  -7.162  13.987
  217   2HG   LYS  29          2HG       LYS  29  -1.443  -8.493  13.438
  218   1HD   LYS  29          1HD       LYS  29   1.451  -8.887  12.902
  219   2HD   LYS  29          2HD       LYS  29   1.070  -8.746  14.607
  220   1HE   LYS  29          1HE       LYS  29   0.614 -10.991  14.437
  221   2HE   LYS  29          2HE       LYS  29  -0.937 -10.440  13.837
  222   1HZ   LYS  29          1HZ       LYS  29   0.161 -12.064  12.343
  223   2HZ   LYS  29          2HZ       LYS  29  -0.120 -10.653  11.579
  224    H    CYS  30           H        CYS  30  -1.020  -4.321  13.031
  225    HA   CYS  30           HA       CYS  30  -0.800  -2.405  11.051
  226   1HB   CYS  30          1HB       CYS  30   0.587  -2.206  13.717
  227   2HB   CYS  30          2HB       CYS  30  -0.086  -0.919  12.736
  228    H    GLY  31           H        GLY  31   1.505  -4.731  12.444
  229   1HA   GLY  31          1HA       GLY  31   3.853  -3.445  11.391
  230   2HA   GLY  31          2HA       GLY  31   3.737  -5.023  12.144
  231    H    ASP  32           H        ASP  32   1.268  -5.048   9.913
  232    HA   ASP  32           HA       ASP  32   2.796  -6.676   8.165
  233   1HB   ASP  32          1HB       ASP  32   0.372  -7.069   8.847
  234   2HB   ASP  32          2HB       ASP  32  -0.077  -5.683   7.873
  235    H    CYS  33           H        CYS  33   1.543  -3.356   8.315
  236    HA   CYS  33           HA       CYS  33   2.355  -2.944   5.532
  237   1HB   CYS  33          1HB       CYS  33   0.185  -1.773   7.207
  238   2HB   CYS  33          2HB       CYS  33   0.998  -0.681   6.104
  239    H    HIS  34           H        HIS  34   2.279  -1.406   8.833
  240    HA   HIS  34           HA       HIS  34   4.357   0.410   8.113
  241   1HB   HIS  34          1HB       HIS  34   3.099  -0.231  10.796
  242   2HB   HIS  34          2HB       HIS  34   4.209   1.090  10.493
  243    HD1  HIS  34           HD1      HIS  34   3.325   3.069   8.929
  244    HD2  HIS  34           HD2      HIS  34   0.447   0.241  10.075
  245    HE1  HIS  34           HE1      HIS  34   1.053   4.122   8.438
  246    H    HIS  35           H        HIS  35   5.512  -1.833   7.370
  247    HA   HIS  35           HA       HIS  35   6.634  -3.560   9.082
  248   1HB   HIS  35          1HB       HIS  35   8.426  -3.837   7.477
  249   2HB   HIS  35          2HB       HIS  35   6.895  -3.623   6.651
  250    HD1  HIS  35           HD1      HIS  35  10.008  -1.600   7.569
  251    HD2  HIS  35           HD2      HIS  35   6.867  -1.595   4.789
  252    HE1  HIS  35           HE1      HIS  35  10.547   0.239   5.885
  253    HA   PRO  36           HA       PRO  36   9.284  -1.334  11.677
  254   1HB   PRO  36          1HB       PRO  36  10.984  -3.304  12.515
  255   2HB   PRO  36          2HB       PRO  36   9.382  -3.071  13.186
  256   1HG   PRO  36          1HG       PRO  36  10.319  -5.151  11.307
  257   2HG   PRO  36          2HG       PRO  36   8.879  -5.142  12.306
  258   1HD   PRO  36          1HD       PRO  36   9.014  -4.641   9.485
  259   2HD   PRO  36          2HD       PRO  36   7.594  -4.518  10.504
  260    H    VAL  37           H        VAL  37  10.701   0.219  11.227
  261    HA   VAL  37           HA       VAL  37  12.775  -0.576   9.310
  262    HB   VAL  37           HB       VAL  37  11.394   2.024   9.934
  263   1HG1  VAL  37          3HG1      VAL  37  14.163   1.680   9.180
  264   2HG1  VAL  37          1HG1      VAL  37  13.264   2.486   7.872
  265   3HG1  VAL  37          2HG1      VAL  37  13.258   3.176   9.513
  266   1HG2  VAL  37          3HG2      VAL  37  10.807   0.089   8.108
  267   2HG2  VAL  37          1HG2      VAL  37  10.410   1.813   7.910
  268   3HG2  VAL  37          2HG2      VAL  37  11.874   1.144   7.150
  269    H    ASN  38           H        ASN  38  14.702  -1.042  10.226
  270    HA   ASN  38           HA       ASN  38  16.563  -0.588  11.325
  271   1HB   ASN  38          1HB       ASN  38  15.417   1.871  11.631
  272   2HB   ASN  38          2HB       ASN  38  15.340   1.336  13.298
  273   1HD2  ASN  38          2HD2      ASN  38  18.765   1.507  13.976
  274   2HD2  ASN  38          1HD2      ASN  38  17.198   0.958  14.468
  275    H    GLY  39           H        GLY  39  13.505  -1.530  12.449
  276   1HA   GLY  39          1HA       GLY  39  13.372  -3.437  13.880
  277   2HA   GLY  39          2HA       GLY  39  14.675  -2.783  14.852
  278    H    LYS  40           H        LYS  40  12.795  -0.146  13.929
  279    HA   LYS  40           HA       LYS  40  11.291  -0.308  16.444
  280   1HB   LYS  40          1HB       LYS  40  11.498   2.023  16.660
  281   2HB   LYS  40          2HB       LYS  40  13.086   1.467  16.173
  282   1HG   LYS  40          1HG       LYS  40  12.027   1.915  13.705
  283   2HG   LYS  40          2HG       LYS  40  11.072   3.064  14.620
  284   1HD   LYS  40          1HD       LYS  40  13.034   4.238  15.398
  285   2HD   LYS  40          2HD       LYS  40  14.103   2.948  14.886
  286   1HE   LYS  40          1HE       LYS  40  12.910   3.532  12.488
  287   2HE   LYS  40          2HE       LYS  40  12.812   5.104  13.256
  288   1HZ   LYS  40          1HZ       LYS  40  15.051   4.009  12.069
  289   2HZ   LYS  40          2HZ       LYS  40  15.010   5.378  12.952
  290    H    GLU  41           H        GLU  41   9.070   0.251  16.473
  291    HA   GLU  41           HA       GLU  41   7.904   0.199  13.803
  292   1HB   GLU  41          1HB       GLU  41   7.391  -1.368  16.140
  293   2HB   GLU  41          2HB       GLU  41   5.979  -0.359  15.898
  294   1HG   GLU  41          1HG       GLU  41   6.439  -1.159  13.312
  295   2HG   GLU  41          2HG       GLU  41   7.067  -2.549  14.175
  296    H    ASP  42           H        ASP  42   6.408   1.790  13.187
  297    HA   ASP  42           HA       ASP  42   5.403   3.566  15.179
  298   1HB   ASP  42          1HB       ASP  42   7.727   4.448  14.543
  299   2HB   ASP  42          2HB       ASP  42   7.120   4.686  12.916
  300    H    TYR  43           H        TYR  43   3.847   5.200  14.071
  301    HA   TYR  43           HA       TYR  43   2.767   3.964  11.634
  302   1HB   TYR  43          1HB       TYR  43   1.579   5.812  13.798
  303   2HB   TYR  43          2HB       TYR  43   0.657   5.105  12.486
  304    HD1  TYR  43           HD1      TYR  43   2.537   2.431  12.953
  305    HD2  TYR  43           HD2      TYR  43  -0.204   4.761  15.268
  306    HE1  TYR  43           HE1      TYR  43   2.029   0.406  14.404
  307    HE2  TYR  43           HE2      TYR  43  -0.703   2.728  16.711
  308    HH   TYR  43           HH       TYR  43   0.028   0.701  17.274
  309    H    ARG  44           H        ARG  44   4.094   5.102  10.117
  310    HA   ARG  44           HA       ARG  44   3.464   7.945  10.056
  311   1HB   ARG  44          1HB       ARG  44   6.037   6.648  10.115
  312   2HB   ARG  44          2HB       ARG  44   5.855   7.349   8.519
  313   1HG   ARG  44          1HG       ARG  44   5.569   9.557   9.380
  314   2HG   ARG  44          2HG       ARG  44   5.170   8.980  10.986
  315   1HD   ARG  44          1HD       ARG  44   7.620   7.959  10.943
  316   2HD   ARG  44          2HD       ARG  44   7.889   9.109   9.649
  317    HE   ARG  44           HE       ARG  44   6.755  10.710  11.550
  318   1HH1  ARG  44          2HH2      ARG  44   9.384   8.344  11.760
  319   2HH1  ARG  44          1HH2      ARG  44  10.188   9.166  13.056
  320    HH2  ARG  44           HH1      ARG  44   9.247  11.193  13.922
  321    H    LYS  45           H        LYS  45   4.033   8.767   7.594
  322    HA   LYS  45           HA       LYS  45   2.305   7.163   5.935
  323   1HB   LYS  45          1HB       LYS  45   3.628   9.857   5.504
  324   2HB   LYS  45          2HB       LYS  45   2.534   9.095   4.367
  325   1HG   LYS  45          1HG       LYS  45   0.892  10.196   5.514
  326   2HG   LYS  45          2HG       LYS  45   1.058   8.905   6.688
  327   1HD   LYS  45          1HD       LYS  45   2.152  10.243   8.220
  328   2HD   LYS  45          2HD       LYS  45   3.026  11.130   6.988
  329   1HE   LYS  45          1HE       LYS  45   0.037  11.525   7.174
  330   2HE   LYS  45          2HE       LYS  45   1.047  12.278   8.391
  331   1HZ   LYS  45          1HZ       LYS  45   2.368  13.217   6.463
  332   2HZ   LYS  45          2HZ       LYS  45   1.187  12.709   5.463
  333    H    CYS  46           H        CYS  46   2.901   5.893   4.216
  334    HA   CYS  46           HA       CYS  46   5.475   4.913   4.122
  335   1HB   CYS  46          1HB       CYS  46   3.671   4.848   1.722
  336   2HB   CYS  46          2HB       CYS  46   4.802   3.636   2.290
  337    H    GLY  47           H        GLY  47   3.777   7.406   2.111
  338   1HA   GLY  47          1HA       GLY  47   6.123   7.939   0.521
  339   2HA   GLY  47          2HA       GLY  47   4.580   8.767   0.472
  340    H    THR  48           H        THR  48   6.987   8.196   3.141
  341    HA   THR  48           HA       THR  48   6.809  11.053   3.759
  342    HB   THR  48           HB       THR  48   7.400   8.496   5.243
  343    HG1  THR  48           HG1      THR  48   6.134   9.979   6.777
  344   1HG2  THR  48          1HG2      THR  48   9.413  10.100   5.604
  345   2HG2  THR  48          2HG2      THR  48   8.236  11.233   6.310
  346   3HG2  THR  48          3HG2      THR  48   8.501   9.642   7.062
  347    H    ALA  49           H        ALA  49   8.544  12.445   3.755
  348    HA   ALA  49           HA       ALA  49  10.525  11.993   1.888
  349   1HB   ALA  49          2HB       ALA  49   9.716  14.034   3.768
  350   2HB   ALA  49          3HB       ALA  49  11.489  13.873   3.789
  351   3HB   ALA  49          1HB       ALA  49  10.643  14.205   2.258
  352    H    GLY  50           H        GLY  50  12.313  10.728   1.888
  353   1HA   GLY  50          1HA       GLY  50  14.363  10.106   2.895
  354   2HA   GLY  50          2HA       GLY  50  13.608  10.172   4.475
  355    H    CYS  51           H        CYS  51  11.087   8.817   3.324
  356    HA   CYS  51           HA       CYS  51  12.142   6.128   3.610
  357   1HB   CYS  51          1HB       CYS  51   9.295   7.176   3.727
  358   2HB   CYS  51          2HB       CYS  51   9.749   5.496   3.928
  359    H    HIS  52           H        HIS  52   9.066   6.376   2.035
  360    HA   HIS  52           HA       HIS  52  10.304   5.486  -0.436
  361   1HB   HIS  52          1HB       HIS  52   7.432   5.419   0.531
  362   2HB   HIS  52          2HB       HIS  52   7.965   4.832  -1.032
  363    HD1  HIS  52           HD1      HIS  52   9.886   2.833  -0.879
  364    HD2  HIS  52           HD2      HIS  52   7.534   3.538   2.522
  365    HE1  HIS  52           HE1      HIS  52  10.090   0.747   0.577
  366    H    ASP  53           H        ASP  53  11.127   7.797  -0.717
  367    HA   ASP  53           HA       ASP  53   8.981   9.496  -1.699
  368   1HB   ASP  53          1HB       ASP  53  10.309  11.353  -1.181
  369   2HB   ASP  53          2HB       ASP  53  10.774  10.235   0.087
  370    H    SER  54           H        SER  54  10.452   7.091  -3.010
  371    HA   SER  54           HA       SER  54  12.069   8.308  -5.010
  372   1HB   SER  54          1HB       SER  54  12.279   5.920  -3.999
  373   2HB   SER  54          2HB       SER  54  10.962   5.478  -5.066
  374    HG   SER  54           HG       SER  54  12.737   6.833  -6.576
  375    H    MET  55           H        MET  55  10.986   9.622  -6.467
  376    HA   MET  55           HA       MET  55   8.365   8.811  -7.332
  377   1HB   MET  55          1HB       MET  55   9.858  11.275  -7.049
  378   2HB   MET  55          2HB       MET  55   9.424  11.130  -8.741
  379   1HG   MET  55          1HG       MET  55   7.447  12.081  -8.038
  380   2HG   MET  55          2HG       MET  55   7.034  10.429  -7.624
  381   1HE   MET  55          1HE       MET  55   7.061   9.383  -5.744
  382   2HE   MET  55          2HE       MET  55   8.195   9.764  -4.426
  383   3HE   MET  55          3HE       MET  55   6.471  10.172  -4.261
  384    H    ASP  56           H        ASP  56  10.558   7.059  -8.101
  385    HA   ASP  56           HA       ASP  56  10.624   7.612 -10.964
  386   1HB   ASP  56          1HB       ASP  56  12.812   7.390  -9.473
  387   2HB   ASP  56          2HB       ASP  56  12.485   5.670  -9.564
  388    H    LYS  57           H        LYS  57   8.399   6.542 -10.952
  389    HA   LYS  57           HA       LYS  57   7.716   4.138  -9.991
  390   1HB   LYS  57          1HB       LYS  57   6.048   5.299 -11.109
  391   2HB   LYS  57          2HB       LYS  57   7.030   5.575 -12.534
  392   1HG   LYS  57          1HG       LYS  57   6.380   2.721 -11.796
  393   2HG   LYS  57          2HG       LYS  57   5.104   3.699 -12.494
  394   1HD   LYS  57          1HD       LYS  57   7.089   4.321 -14.240
  395   2HD   LYS  57          2HD       LYS  57   7.668   2.744 -13.741
  396   1HE   LYS  57          1HE       LYS  57   6.271   2.230 -15.579
  397   2HE   LYS  57          2HE       LYS  57   5.233   1.909 -14.204
  398   1HZ   LYS  57          1HZ       LYS  57   5.239   4.454 -15.739
  399   2HZ   LYS  57          2HZ       LYS  57   4.117   3.283 -15.887
  400    H    LYS  58           H        LYS  58   9.424   4.659 -13.156
  401    HA   LYS  58           HA       LYS  58   9.828   1.858 -13.485
  402   1HB   LYS  58          1HB       LYS  58  10.271   4.323 -15.006
  403   2HB   LYS  58          2HB       LYS  58  11.571   3.165 -15.205
  404   1HG   LYS  58          1HG       LYS  58   9.990   1.407 -15.868
  405   2HG   LYS  58          2HG       LYS  58   8.620   2.432 -15.487
  406   1HD   LYS  58          1HD       LYS  58  10.685   3.351 -17.514
  407   2HD   LYS  58          2HD       LYS  58   9.427   2.228 -17.992
  408   1HE   LYS  58          1HE       LYS  58   8.519   4.381 -18.477
  409   2HE   LYS  58          2HE       LYS  58   7.733   3.904 -16.986
  410   1HZ   LYS  58          1HZ       LYS  58  10.213   5.516 -16.933
  411   2HZ   LYS  58          2HZ       LYS  58   8.755   6.229 -17.071
  412    H    ASP  59           H        ASP  59  10.687   1.798 -11.105
  413    HA   ASP  59           HA       ASP  59  13.418   1.298 -11.311
  414   1HB   ASP  59          1HB       ASP  59  13.386   3.855 -11.082
  415   2HB   ASP  59          2HB       ASP  59  12.695   3.636  -9.487
  416    H    LYS  60           H        LYS  60  12.767  -0.713 -10.341
  417    HA   LYS  60           HA       LYS  60  11.335  -0.583  -7.817
  418   1HB   LYS  60          1HB       LYS  60  10.959  -2.923  -8.096
  419   2HB   LYS  60          2HB       LYS  60  10.636  -2.147  -9.633
  420   1HG   LYS  60          1HG       LYS  60  13.443  -3.121  -9.169
  421   2HG   LYS  60          2HG       LYS  60  12.211  -4.344  -9.408
  422   1HD   LYS  60          1HD       LYS  60  11.779  -2.282 -11.377
  423   2HD   LYS  60          2HD       LYS  60  13.487  -2.675 -11.391
  424   1HE   LYS  60          1HE       LYS  60  13.039  -5.027 -11.796
  425   2HE   LYS  60          2HE       LYS  60  11.331  -4.831 -11.456
  426   1HZ   LYS  60          1HZ       LYS  60  11.253  -4.645 -13.716
  427   2HZ   LYS  60          2HZ       LYS  60  11.621  -3.082 -13.447
  428    H    SER  61           H        SER  61  12.182  -1.270  -5.830
  429    HA   SER  61           HA       SER  61  14.568  -2.591  -5.542
  430   1HB   SER  61          1HB       SER  61  16.022  -0.697  -4.690
  431   2HB   SER  61          2HB       SER  61  15.762  -0.697  -6.423
  432    HG   SER  61           HG       SER  61  15.192   1.266  -4.636
  433    H    ALA  62           H        ALA  62  12.992   0.359  -4.085
  434    HA   ALA  62           HA       ALA  62  11.712  -1.018  -2.046
  435   1HB   ALA  62          3HB       ALA  62  14.422  -1.088  -1.588
  436   2HB   ALA  62          1HB       ALA  62  13.949   0.385  -0.707
  437   3HB   ALA  62          2HB       ALA  62  13.177  -1.171  -0.318
  438    H    LYS  63           H        LYS  63  13.649   1.970  -2.744
  439    HA   LYS  63           HA       LYS  63  11.929   3.669  -1.315
  440   1HB   LYS  63          1HB       LYS  63  13.721   4.459  -3.620
  441   2HB   LYS  63          2HB       LYS  63  13.195   5.448  -2.273
  442   1HG   LYS  63          1HG       LYS  63  14.371   3.424  -0.878
  443   2HG   LYS  63          2HG       LYS  63  15.305   3.314  -2.356
  444   1HD   LYS  63          1HD       LYS  63  14.974   6.109  -1.492
  445   2HD   LYS  63          2HD       LYS  63  15.719   5.133  -0.242
  446   1HE   LYS  63          1HE       LYS  63  17.372   4.279  -1.977
  447   2HE   LYS  63          2HE       LYS  63  16.678   5.401  -3.130
  448   1HZ   LYS  63          1HZ       LYS  63  18.649   5.982  -1.298
  449   2HZ   LYS  63          2HZ       LYS  63  17.842   7.071  -2.202
  450    H    GLY  64           H        GLY  64  11.703   2.085  -4.425
  451   1HA   GLY  64          1HA       GLY  64  10.110   3.858  -5.855
  452   2HA   GLY  64          2HA       GLY  64  10.114   2.113  -6.012
  453    H    TYR  65           H        TYR  65   8.492   4.920  -4.630
  454    HA   TYR  65           HA       TYR  65   6.824   3.734  -2.784
  455   1HB   TYR  65          1HB       TYR  65   7.101   6.190  -3.270
  456   2HB   TYR  65          2HB       TYR  65   6.428   5.965  -4.872
  457    HD1  TYR  65           HD1      TYR  65   5.487   5.397  -1.280
  458    HD2  TYR  65           HD2      TYR  65   4.190   6.493  -5.207
  459    HE1  TYR  65           HE1      TYR  65   3.162   5.895  -0.381
  460    HE2  TYR  65           HE2      TYR  65   1.870   6.988  -4.294
  461    HH   TYR  65           HH       TYR  65   0.527   6.741  -2.569
  462    H    TYR  66           H        TYR  66   6.458   4.041  -6.366
  463    HA   TYR  66           HA       TYR  66   3.874   2.816  -6.333
  464   1HB   TYR  66          1HB       TYR  66   4.407   4.359  -8.124
  465   2HB   TYR  66          2HB       TYR  66   6.023   3.707  -8.314
  466    HD1  TYR  66           HD1      TYR  66   6.329   1.465  -9.441
  467    HD2  TYR  66           HD2      TYR  66   2.571   3.509  -9.390
  468    HE1  TYR  66           HE1      TYR  66   5.515   0.031 -11.376
  469    HE2  TYR  66           HE2      TYR  66   1.770   2.068 -11.325
  470    HH   TYR  66           HH       TYR  66   3.266   0.734 -13.315
  471    H    HIS  67           H        HIS  67   6.833   1.538  -5.599
  472    HA   HIS  67           HA       HIS  67   6.357  -0.921  -7.100
  473   1HB   HIS  67          1HB       HIS  67   8.549  -0.561  -7.483
  474   2HB   HIS  67          2HB       HIS  67   8.744   0.473  -6.081
  475    HD1  HIS  67           HD1      HIS  67   9.187  -3.035  -7.250
  476    HD2  HIS  67           HD2      HIS  67   9.318  -0.930  -3.624
  477    HE1  HIS  67           HE1      HIS  67  10.326  -4.579  -5.568
  478    H    VAL  68           H        VAL  68   6.439   0.549  -3.865
  479    HA   VAL  68           HA       VAL  68   6.154  -2.040  -2.596
  480    HB   VAL  68           HB       VAL  68   5.980  -0.521  -0.542
  481   1HG1  VAL  68          2HG1      VAL  68   8.050  -1.766  -1.596
  482   2HG1  VAL  68          3HG1      VAL  68   8.602  -0.111  -1.947
  483   3HG1  VAL  68          1HG1      VAL  68   8.271  -0.601  -0.268
  484   1HG2  VAL  68          1HG2      VAL  68   5.496   1.500  -2.164
  485   2HG2  VAL  68          2HG2      VAL  68   6.441   1.737  -0.674
  486   3HG2  VAL  68          3HG2      VAL  68   7.272   1.591  -2.241
  487    H    MET  69           H        MET  69   4.153  -0.395  -4.500
  488    HA   MET  69           HA       MET  69   1.880  -0.833  -2.719
  489   1HB   MET  69          1HB       MET  69   2.047   1.099  -5.095
  490   2HB   MET  69          2HB       MET  69   0.729   0.987  -3.946
  491   1HG   MET  69          1HG       MET  69   3.475   1.502  -2.822
  492   2HG   MET  69          2HG       MET  69   2.718   2.815  -3.701
  493   1HE   MET  69          2HE       MET  69   3.437   1.528  -0.564
  494   2HE   MET  69          3HE       MET  69   3.295   3.302  -0.570
  495   3HE   MET  69          1HE       MET  69   2.276   2.331   0.520
  496    H    HIS  70           H        HIS  70   3.564  -1.865  -5.496
  497    HA   HIS  70           HA       HIS  70   1.196  -3.333  -6.356
  498   1HB   HIS  70          1HB       HIS  70   3.146  -2.109  -8.318
  499   2HB   HIS  70          2HB       HIS  70   1.649  -2.946  -8.676
  500    HD1  HIS  70           HD1      HIS  70   2.864   0.289  -7.049
  501    HD2  HIS  70           HD2      HIS  70  -0.585  -1.332  -8.802
  502    HE1  HIS  70           HE1      HIS  70   1.192   2.207  -7.244
  503    H    ASP  71           H        ASP  71   4.763  -2.950  -6.978
  504    HA   ASP  71           HA       ASP  71   5.391  -5.345  -7.846
  505   1HB   ASP  71          1HB       ASP  71   6.837  -3.283  -6.904
  506   2HB   ASP  71          2HB       ASP  71   7.022  -4.333  -5.513
  507    H    LYS  72           H        LYS  72   5.495  -7.497  -7.051
  508    HA   LYS  72           HA       LYS  72   4.487  -7.860  -4.327
  509   1HB   LYS  72          1HB       LYS  72   4.622  -9.964  -6.492
  510   2HB   LYS  72          2HB       LYS  72   3.665  -9.972  -5.024
  511   1HG   LYS  72          1HG       LYS  72   2.304  -8.079  -5.853
  512   2HG   LYS  72          2HG       LYS  72   3.312  -7.942  -7.280
  513   1HD   LYS  72          1HD       LYS  72   2.632 -10.572  -7.493
  514   2HD   LYS  72          2HD       LYS  72   1.230  -9.999  -6.611
  515   1HE   LYS  72          1HE       LYS  72   0.544  -8.564  -8.348
  516   2HE   LYS  72          2HE       LYS  72   2.162  -8.400  -9.000
  517   1HZ   LYS  72          1HZ       LYS  72   0.187 -10.360  -9.642
  518   2HZ   LYS  72          2HZ       LYS  72   1.549  -9.988 -10.453
  519    H    ASN  73           H        ASN  73   7.187  -8.525  -6.560
  520    HA   ASN  73           HA       ASN  73   8.443 -10.368  -4.869
  521   1HB   ASN  73          1HB       ASN  73   9.526  -8.561  -7.092
  522   2HB   ASN  73          2HB       ASN  73  10.486  -9.806  -6.318
  523   1HD2  ASN  73          2HD2      ASN  73   9.107 -11.221  -9.438
  524   2HD2  ASN  73          1HD2      ASN  73  10.157  -9.926  -8.965
  525    H    THR  74           H        THR  74   7.903  -8.721  -2.921
  526    HA   THR  74           HA       THR  74  10.292  -7.040  -2.545
  527    HB   THR  74           HB       THR  74   8.745  -5.495  -1.270
  528    HG1  THR  74           HG1      THR  74   7.001  -6.865  -0.774
  529   1HG2  THR  74          1HG2      THR  74   8.945  -5.722  -4.074
  530   2HG2  THR  74          2HG2      THR  74   7.191  -5.683  -3.769
  531   3HG2  THR  74          3HG2      THR  74   8.225  -4.355  -3.190
  532    H    LYS  75           H        LYS  75  11.030  -6.812  -0.333
  533    HA   LYS  75           HA       LYS  75  11.025  -9.293   0.983
  534   1HB   LYS  75          1HB       LYS  75  12.941  -7.838   1.082
  535   2HB   LYS  75          2HB       LYS  75  12.001  -6.544   1.797
  536   1HG   LYS  75          1HG       LYS  75  11.473  -8.238   3.717
  537   2HG   LYS  75          2HG       LYS  75  12.780  -9.201   3.057
  538   1HD   LYS  75          1HD       LYS  75  14.365  -7.324   3.343
  539   2HD   LYS  75          2HD       LYS  75  13.070  -6.275   3.886
  540   1HE   LYS  75          1HE       LYS  75  12.695  -8.232   5.690
  541   2HE   LYS  75          2HE       LYS  75  14.373  -8.585   5.330
  542   1HZ   LYS  75          1HZ       LYS  75  14.814  -6.155   5.783
  543   2HZ   LYS  75          2HZ       LYS  75  13.291  -6.018   6.345
  544    H    PHE  76           H        PHE  76   8.883  -6.524   1.057
  545    HA   PHE  76           HA       PHE  76   7.564  -7.695   3.415
  546   1HB   PHE  76          1HB       PHE  76   7.787  -4.831   2.298
  547   2HB   PHE  76          2HB       PHE  76   6.742  -5.246   3.642
  548    HD1  PHE  76           HD2      PHE  76   7.966  -6.474   5.669
  549    HD2  PHE  76           HD1      PHE  76   9.924  -4.031   2.753
  550    HE1  PHE  76           HE2      PHE  76   9.893  -6.085   7.280
  551    HE2  PHE  76           HE1      PHE  76  11.845  -3.649   4.374
  552    HZ   PHE  76           HZ       PHE  76  11.744  -4.762   6.657
  553    H    LYS  77           H        LYS  77   5.187  -7.505   3.452
  554    HA   LYS  77           HA       LYS  77   4.082  -8.255   0.979
  555   1HB   LYS  77          1HB       LYS  77   3.039  -7.723   3.740
  556   2HB   LYS  77          2HB       LYS  77   1.898  -7.852   2.417
  557   1HG   LYS  77          1HG       LYS  77   2.980 -10.064   1.778
  558   2HG   LYS  77          2HG       LYS  77   3.977  -9.942   3.214
  559   1HD   LYS  77          1HD       LYS  77   2.298 -10.980   4.338
  560   2HD   LYS  77          2HD       LYS  77   1.394  -9.485   4.204
  561   1HE   LYS  77          1HE       LYS  77   0.287 -10.226   2.174
  562   2HE   LYS  77          2HE       LYS  77   1.371 -11.592   2.000
  563   1HZ   LYS  77          1HZ       LYS  77  -1.017 -11.729   3.229
  564   2HZ   LYS  77          2HZ       LYS  77   0.192 -12.780   3.516
  565    H    SER  78           H        SER  78   3.317  -7.058  -0.683
  566    HA   SER  78           HA       SER  78   3.188  -4.203  -0.223
  567   1HB   SER  78          1HB       SER  78   3.557  -3.923  -2.531
  568   2HB   SER  78          2HB       SER  78   4.511  -5.344  -2.154
  569    HG   SER  78           HG       SER  78   3.382  -6.023  -3.910
  570    H    CYS  79           H        CYS  79   1.340  -2.972  -1.287
  571    HA   CYS  79           HA       CYS  79  -1.066  -3.705  -0.345
  572   1HB   CYS  79          1HB       CYS  79  -0.642  -2.168  -2.915
  573   2HB   CYS  79          2HB       CYS  79  -2.064  -2.124  -1.893
  574    H    VAL  80           H        VAL  80  -0.155  -3.965  -3.868
  575    HA   VAL  80           HA       VAL  80  -2.282  -5.690  -4.471
  576    HB   VAL  80           HB       VAL  80   0.330  -5.090  -5.868
  577   1HG1  VAL  80          3HG1      VAL  80  -1.044  -7.309  -6.417
  578   2HG1  VAL  80          1HG1      VAL  80  -2.031  -6.163  -7.354
  579   3HG1  VAL  80          2HG1      VAL  80  -0.292  -6.324  -7.694
  580   1HG2  VAL  80          3HG2      VAL  80  -2.347  -3.802  -5.767
  581   2HG2  VAL  80          1HG2      VAL  80  -0.737  -3.092  -6.039
  582   3HG2  VAL  80          2HG2      VAL  80  -1.582  -3.918  -7.370
  583    H    GLY  81           H        GLY  81   1.095  -6.206  -3.396
  584   1HA   GLY  81          1HA       GLY  81   1.442  -8.871  -3.974
  585   2HA   GLY  81          2HA       GLY  81   2.113  -8.040  -2.585
  586    H    CYS  82           H        CYS  82   0.180  -7.502  -0.841
  587    HA   CYS  82           HA       CYS  82  -0.516 -1