*HEADER   DNA-BINDING                             12-DEC-96   2LFB    
*TITLE    HOMEODOMAIN FROM RAT LIVER LFB1/HNF1 TRANSCRIPTION FACTOR,  
*TITLE   2 NMR, 20 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: LFB1/HNF1 TRANSCRIPTION FACTOR;                  
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: DNA-BINDING DOMAIN, RESIDUES 0 - 99, HOMEODOMAIN;
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MUTATION: INS(MET0)                                        
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: RATTUS RATTUS;                        
*SOURCE  3 ORGANISM_COMMON: RAT;                                      
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: BL21                             
*KEYWDS   DNA-BINDING, TRANSCRIPTION FACTOR, LFB1/HNF1,               
*KEYWDS  2 HELIX-TURN-HELIX, DNA-BINDING DOMAIN                       
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   O.SCHOTT,M.BILLETER,B.LEITING,G.WIDER,K.WUTHRICH            
*REVDAT  1   12-MAR-97 2LFB    0                                      


  3 ARG+ 
         HA      4 ILE  HN      2.50
  4 ILE  
         HN      4 ILE  HA      2.90
         HN      4 ILE  HB      3.60
         HN      4 ILE  HG12    5.00
         HN      4 ILE  HG13    5.00
         HA      4 ILE  HB      2.40
         HB      5 ASP- HN      5.00
         QG2     5 ASP- HN      6.00
  5 ASP- 
         HN      5 ASP- HB2     3.70
         HN      5 ASP- HB3     3.70
         HA      6 PRO  QD      3.73
  6 PRO  
         HA      7 THR  HN      3.50
         QB      7 THR  HN      4.50
         QD      7 THR  HN      5.35
  7 THR  
         HN      8 LYS+ HN      3.20
         HA      7 THR  QG2     3.40
  8 LYS+ 
         HN      8 LYS+ HA      2.90
         HN      8 LYS+ QB      3.72
         HN      8 LYS+ QG      6.00
         HN      9 LYS+ HN      3.90
  9 LYS+ 
         HN      9 LYS+ QB      3.77
         HN      9 LYS+ QG      6.00
         HN     10 GLY  HN      5.00
         HA     10 GLY  HN      3.00
         QB     10 GLY  HN      5.78
 10 GLY  
         HN     11 ARG+ HN      3.20
 11 ARG+ 
         HN     12 ARG+ HN      4.20
 12 ARG+ 
         HN     12 ARG+ HA      2.70
         HN     12 ARG+ HB2     3.00
         HN     12 ARG+ HB3     3.00
         HN     12 ARG+ QG      5.80
         HA     13 ASN  HN      2.60
         HB2    13 ASN  HN      4.10
         HB3    13 ASN  HN      4.10
         QB     13 ASN  HN      3.76
         QG     13 ASN  HN      6.00
         QD     14 ARG+ HN      5.88
 13 ASN  
         HN     13 ASN  HB2     3.90
         HN     13 ASN  HB3     3.90
         HN     13 ASN  QB      3.50
         HN     13 ASN  QD2     5.87
         HN     14 ARG+ HN      3.20
         HB2    14 ARG+ HN      4.80
         HB3    14 ARG+ HN      4.80
         QB     14 ARG+ HN      4.28
 14 ARG+ 
         HN     14 ARG+ HB2     3.80
         HN     14 ARG+ HB3     2.90
         HN     14 ARG+ QG      5.20
         HN     15 PHE  HN      3.60
         HA     14 ARG+ HB2     2.70
         HA     14 ARG+ HB3     2.80
         HB2    15 PHE  HN      3.60
         HB3    15 PHE  HN      5.00
         QG     15 PHE  HN      6.00
 15 PHE  
         HN     15 PHE  HB2     3.00
         HN     15 PHE  HB3     3.00
         HN     16 LYS+ HN      4.80
         HA     16 LYS+ HN      2.80
         HA     16 LYS+ HB3     5.00
         HB2    16 LYS+ HN      5.00
         HB3    16 LYS+ HN      5.00
         QB     16 LYS+ HN      4.53
         CG     16 LYS+ HN      7.00
         CG     16 LYS+ HA      7.00
         CG     17 TRP  HA      7.00
         CG     17 TRP  HD1     7.00
         CG     17 TRP  HE1     7.00
         CG     68 ASN  HA      6.80
         CG     70 VAL  HA      7.00
         CG     70 VAL  QG1     8.00
         CG     70 VAL  QG2     8.00
         CG     74 ARG+ QG      7.88
         CG     74 ARG+ HD2     7.00
         CG     74 ARG+ HD3     7.00
         CZ     16 LYS+ HN      7.00
         CZ     16 LYS+ HA      7.00
         CZ     17 TRP  HN      7.00
         CZ     17 TRP  HA      7.00
         CZ     17 TRP  HD1     7.00
         CZ     17 TRP  HE3     7.00
         CZ     17 TRP  HE1     7.00
         CZ     68 ASN  HA      7.00
         CZ     70 VAL  HA      6.50
         CZ     70 VAL  QQG     9.40
         CZ     71 THR  QG2     8.00
         CZ     74 ARG+ HA      7.00
         CZ     74 ARG+ QG      7.88
         CZ     74 ARG+ HD2     7.00
         CZ     74 ARG+ HD3     7.00
         HZ     17 TRP  HA      4.80
         HZ     17 TRP  HD1     5.00
         HZ     17 TRP  HE3     5.00
         HZ     70 VAL  QQG     7.40
         HZ     74 ARG+ HD2     5.00
         HZ     74 ARG+ HD3     5.00
 16 LYS+ 
         HN     16 LYS+ HB2     3.90
         HN     16 LYS+ HB3     3.50
         HN     16 LYS+ QG      6.00
         HN     17 TRP  HN      5.00
         HA     16 LYS+ HB2     2.70
         HA     16 LYS+ HB3     2.60
         HA     16 LYS+ QD      6.00
         HA     17 TRP  HN      2.80
         HA     17 TRP  HD1     5.00
         HB2    16 LYS+ QE      6.00
         HB2    17 TRP  HN      4.00
         HB3    17 TRP  HN      4.30
         QG     17 TRP  HN      6.00
         QG     68 ASN  HA      6.00
         QG     68 ASN  QD2     6.87
 17 TRP  
         HN     17 TRP  QB      3.80
         HN     17 TRP  HD1     5.00
         HN     18 GLY  HN      5.00
         HA     17 TRP  HD1     5.00
         HA     17 TRP  HE3     5.00
         HA     70 VAL  QQG     7.40
         QB     18 GLY  HN      5.80
         QB     22 GLN  HN      6.00
         QB     22 GLN  HG2     6.00
         QB     22 GLN  HG3     6.00
         QB     22 GLN  HE21    6.00
         QB     22 GLN  HE22    6.00
         HE3    18 GLY  HN      5.00
         HE3    21 SER  HB2     4.40
         HE3    21 SER  HB3     4.40
         HE3    21 SER  QB      4.11
         HE3    25 LEU  QD1     6.00
         HE3    70 VAL  QQG     7.40
         HE1    78 TRP  HB2     5.00
         HE1    78 TRP  HB3     5.00
         HE1    78 TRP  HD1     5.00
         HZ3    21 SER  QB      5.88
         HZ3    24 ILE  QG2     6.00
         HZ3    25 LEU  HG      5.00
         HZ3    25 LEU  QD1     6.00
         HZ3    43 LEU  QD2     6.00
         HZ3    70 VAL  QQG     5.00
         HZ2    25 LEU  QD1     6.00
         HZ2    70 VAL  QQG     7.40
         HZ2    74 ARG+ HA      5.00
         HZ2    74 ARG+ QG      5.88
         HZ2    74 ARG+ QD      5.88
         HZ2    75 VAL  HA      4.60
         HZ2    78 TRP  HB2     5.00
         HZ2    78 TRP  HB3     5.00
         HZ2    78 TRP  QB      4.77
         HZ2    78 TRP  HD1     5.00
         HH2    25 LEU  QD1     6.00
         HH2    44 VAL  QG2     6.00
         HH2    74 ARG+ QB      5.88
         HH2    75 VAL  HA      4.00
         HH2    75 VAL  HB      5.00
         HH2    75 VAL  QQG     5.20
         HH2    78 TRP  QB      5.88
 18 GLY  
         HN     21 SER  QB      5.88
         HN     22 GLN  QE2     5.87
         QA     21 SER  QB      6.48
         QA     54 GLN  QE2     6.87
 19 PRO  
         HA     20 ALA  HN      3.40
         HA     22 GLN  QB      4.88
         HA     22 GLN  HG2     5.00
         HA     22 GLN  HG3     5.00
         HB3    20 ALA  HN      4.70
         QB     20 ALA  HN      3.97
         QG     20 ALA  HN      5.02
         QG     54 GLN  QE2     6.74
 20 ALA  
         HN     20 ALA  QB      3.40
         HN     21 SER  HN      3.30
         HN     21 SER  QB      4.78
         HN     22 GLN  HN      5.00
         HN     54 GLN  QE2     5.87
         HA     22 GLN  HN      5.00
         HA     23 GLN  HN      3.80
         HA     23 GLN  QB      4.50
         HA     23 GLN  QG      5.88
         QB     23 GLN  HN      6.00
         QB     23 GLN  QB      7.00
         QB     23 GLN  QG      6.88
         QB     24 ILE  QD1     7.00
         QB     50 ALA  QB      5.90
         QB     51 GLU- HA      6.00
         QB     54 GLN  QB      7.00
         QB     54 GLN  QG      7.00
         QB     54 GLN  HE21    6.00
         QB     54 GLN  HE22    6.00
 21 SER  
         HN     22 GLN  HN      3.50
         HN     23 GLN  HN      5.00
         HA     24 ILE  HN      4.70
         HA     24 ILE  HB      3.70
         HA     24 ILE  QG2     6.00
         HA     24 ILE  QD1     4.70
         HA     47 CYS  HA      4.50
         HA     50 ALA  QB      6.00
         HB2    22 GLN  HN      5.00
         HB2    22 GLN  HE21    6.75
         HB2    22 GLN  HE22    6.75
         HB3    22 GLN  HN      5.00
         HB3    22 GLN  HE21    6.75
         HB3    22 GLN  HE22    6.75
         QB     22 GLN  HN      4.44
         QB     22 GLN  QE2     5.81
         QB     23 GLN  HN      5.78
 22 GLN  
         HN     22 GLN  QB      3.80
         HN     22 GLN  QG      5.08
         HN     22 GLN  QE2     5.87
         HN     23 GLN  HN      3.40
         HN     24 ILE  HN      5.00
         HA     25 LEU  HN      5.00
         HA     25 LEU  HB2     4.50
         HA     25 LEU  HB3     4.50
         HA     25 LEU  QB      3.98
         HA     25 LEU  HG      5.00
         HA     25 LEU  QD1     5.60
         HA     25 LEU  QD2     6.00
         HA     26 PHE  HN      5.00
         HA     26 PHE  QR      7.40
         HG2    26 PHE  QR      7.40
         HG3    26 PHE  QR      7.40
         QE2    23 GLN  HN      5.87
 23 GLN  
         HN     23 GLN  QB      3.60
         HN     23 GLN  QG      6.00
         HN     24 ILE  HN      3.40
         HN     24 ILE  QG1     5.88
         HN     25 LEU  HN      5.00
         HA     26 PHE  HN      5.00
         HA     26 PHE  QB      4.28
         HA     27 GLN  HN      5.00
         QB     24 ILE  HA      6.00
         QB     24 ILE  QD1     7.00
         QG     24 ILE  HN      6.00
         QG     24 ILE  HA      6.00
         QG     24 ILE  QD1     7.00
 24 ILE  
         HN     24 ILE  HB      3.00
         HN     24 ILE  HG12    5.00
         HN     24 ILE  HG13    5.00
         HN     24 ILE  QG1     4.53
         HN     25 LEU  HN      3.50
         HN     26 PHE  HN      4.80
         HA     24 ILE  QG2     3.40
         HA     24 ILE  HG12    3.80
         HA     24 ILE  HG13    3.80
         HA     24 ILE  QG1     3.55
         HA     27 GLN  HN      5.00
         HA     27 GLN  HB2     5.00
         HA     27 GLN  HB3     5.00
         HA     27 GLN  QB      4.53
         HA     27 GLN  QG      5.88
         HA     28 ALA  HN      5.00
         HB     25 LEU  HN      3.30
         QG2    25 LEU  HN      6.00
         QG2    25 LEU  HA      5.00
         QG2    25 LEU  HG      6.00
         QG2    25 LEU  QD2     7.00
         QG2    27 GLN  HN      6.00
         QG2    27 GLN  QB      6.88
         QG2    28 ALA  HN      6.00
         QG2    43 LEU  HA      6.00
         QG2    46 GLU- HN      6.00
         QG2    46 GLU- HA      6.00
         QG2    46 GLU- HB2     6.00
         QG2    46 GLU- HB3     4.50
         QG2    46 GLU- QG      6.88
         QG2    47 CYS  HA      6.00
         QG2    70 VAL  QQG     8.56
         QD1    27 GLN  QB      6.88
         QD1    46 GLU- HA      6.00
         QD1    46 GLU- HB2     6.00
         QD1    46 GLU- QG      6.88
         QD1    47 CYS  HA      3.70
         QD1    50 ALA  QB      4.40
 25 LEU  
         HN     25 LEU  HB2     3.70
         HN     25 LEU  HB3     3.70
         HN     25 LEU  QB      3.35
         HN     25 LEU  QD1     6.00
         HN     25 LEU  QD2     6.00
         HN     26 PHE  HN      3.30
         HA     25 LEU  HG      4.00
         HA     25 LEU  QD1     6.00
         HA     25 LEU  QD2     3.40
         HA     28 ALA  HN      4.40
         HA     28 ALA  QB      4.70
         HA     29 TYR  HN      5.00
         HA     43 LEU  QD1     6.00
         HA     43 LEU  QD2     6.00
         HA     79 PHE  CG      7.00
         HA     79 PHE  CZ      7.00
         HA     79 PHE  HZ      5.00
         HB2    26 PHE  HN      5.00
         HB3    26 PHE  HN      5.00
         QB     26 PHE  HN      4.40
         QB     78 TRP  HE3     5.88
         QB     78 TRP  HZ3     5.88
         QB     78 TRP  HH2     5.88
         QD1    26 PHE  HN      6.00
         QD1    70 VAL  QQG     8.56
         QD1    75 VAL  HA      6.00
         QD1    78 TRP  HD1     6.00
         QD1    78 TRP  HE3     6.00
         QD1    78 TRP  HZ3     6.00
         QD1    78 TRP  HZ2     6.00
         QD1    78 TRP  HH2     6.00
         QD1    79 PHE  CZ      8.00
         QD2    28 ALA  QB      7.00
         QD2    43 LEU  QB      6.88
         QD2    43 LEU  QD2     4.40
         QD2    70 VAL  QQG     8.56
         QD2    75 VAL  HA      6.00
         QD2    75 VAL  QG1     7.00
         QD2    75 VAL  QG2     7.00
         QD2    78 TRP  HE3     6.00
         QD2    78 TRP  HZ3     6.00
         QD2    78 TRP  HZ2     6.00
         QD2    78 TRP  HH2     6.00
         QD2    79 PHE  CG      8.00
         QD2    79 PHE  CZ      8.00
         QD2    79 PHE  HZ      6.00
 26 PHE  
         HN     26 PHE  QB      3.70
         HN     27 GLN  HN      3.30
         HN     29 TYR  CG      7.00
         HA     29 TYR  HN      4.30
         HA     29 TYR  CG      7.00
         HA     30 GLU- HN      5.00
         HA     78 TRP  HH2     5.00
         HB2    27 GLN  HA      5.00
         HB3    27 GLN  HA      5.00
         QR     27 GLN  HN      7.40
 27 GLN  
         HN     27 GLN  HG2     5.00
         HN     27 GLN  HG3     5.00
         HN     28 ALA  HN      3.40
         HN     28 ALA  QB      6.00
         HA     27 GLN  HB2     2.60
         HA     27 GLN  HB3     2.60
         HA     27 GLN  HG2     4.00
         HA     27 GLN  HG3     4.00
         HA     27 GLN  QG      3.56
         HA     30 GLU- HN      4.60
         HA     30 GLU- HB2     4.10
         HA     30 GLU- HB3     4.10
         HA     30 GLU- QB      3.66
         HA     30 GLU- QG      5.48
         HG2    28 ALA  HN      5.00
         HG3    28 ALA  HN      5.00
 28 ALA  
         HN     28 ALA  QB      3.40
         HN     29 TYR  HN      3.40
         HN     29 TYR  QB      5.90
         HN     30 GLU- HN      5.00
         HN     43 LEU  QQD     7.40
         HN     79 PHE  HZ      5.00
         HA     31 ARG+ HN      4.40
         HA     31 ARG+ QB      4.90
         HA     31 ARG+ QG      5.88
         HA     31 ARG+ QD      6.00
         HA     31 ARG+ HE      5.00
         QB     29 TYR  HA      6.00
         QB     29 TYR  CG      8.00
         QB     30 GLU- HN      6.00
         QB     43 LEU  HG      6.00
         QB     43 LEU  QD1     4.40
         QB     43 LEU  QD2     4.40
         QB     79 PHE  CG      8.00
         QB     79 PHE  CZ      8.00
         QB     79 PHE  HZ      3.50
 29 TYR  
         HN     29 TYR  QB      3.80
         HN     30 GLU- HN      3.50
         HN     78 TRP  HH2     5.00
         HA     29 TYR  CZ      5.60
         HA     31 ARG+ HN      4.90
         HA     33 LYS+ HA      4.50
         HA     79 PHE  CG      7.00
         HA     79 PHE  CZ      5.70
         HA     79 PHE  HZ      5.00
         QB     78 TRP  HZ3     6.00
         QB     78 TRP  HH2     5.10
         QB     79 PHE  CZ      8.00
         CG     30 GLU- HA      7.00
         CG     33 LYS+ HA      7.00
         CG     33 LYS+ QG      7.88
         CG     33 LYS+ QE      8.00
         CG     78 TRP  HZ3     7.00
         CG     78 TRP  HZ2     7.00
         CG     78 TRP  HH2     6.60
         CG     79 PHE  HA      7.00
         CG     79 PHE  CG      8.40
         CG     79 PHE  CZ      8.80
         CG     82 ARG+ HB2     7.00
         CG     82 ARG+ HB3     7.00
         CG     82 ARG+ HG2     7.00
         CG     82 ARG+ HG3     7.00
         CG     82 ARG+ HE      7.00
         CZ     33 LYS+ HA      7.00
         CZ     33 LYS+ HG2     7.00
         CZ     33 LYS+ HG3     7.00
         CZ     33 LYS+ HD2     7.00
         CZ     33 LYS+ HD3     7.00
         CZ     33 LYS+ QE      8.00
         CZ     78 TRP  HZ2     7.00
         CZ     78 TRP  HH2     7.00
         CZ     79 PHE  HA      7.00
         CZ     79 PHE  CG      9.00
         CZ     79 PHE  CZ      9.00
         CZ     82 ARG+ HB2     7.00
         CZ     82 ARG+ HB3     7.00
         CZ     82 ARG+ HG2     7.00
         CZ     82 ARG+ HG3     7.00
         CZ     82 ARG+ QD      7.88
         CZ     82 ARG+ HE      7.00
         CZ     83 ARG+ HN      7.00
 30 GLU- 
         HN     30 GLU- QB      3.90
         HN     30 GLU- HG2     4.80
         HN     30 GLU- HG3     4.80
         HN     30 GLU- QG      4.47
         HN     31 ARG+ HN      3.30
         HN     32 GLN  HN      5.00
         HA     30 GLU- HG2     4.20
         HA     30 GLU- HG3     4.20
         HA     30 GLU- QG      3.63
         HA     33 LYS+ QE      6.00
         HG2    31 ARG+ HA      5.00
         HG3    31 ARG+ HA      5.00
         QG     31 ARG+ HN      5.88
 31 ARG+ 
         HN     31 ARG+ QB      3.90
         HN     31 ARG+ HG2     5.00
         HN     31 ARG+ HG3     5.00
         HN     32 GLN  HN      2.70
         HA     31 ARG+ HG2     4.20
         HA     31 ARG+ HG3     4.20
         HA     31 ARG+ QG      3.77
         HA     31 ARG+ QD      6.00
         QB     31 ARG+ HE      6.00
         QB     32 GLN  HN      4.30
         QG     32 GLN  HN      5.88
 32 GLN  
         HN     32 GLN  QG      5.88
         HN     32 GLN  QE2     5.87
         HA     33 LYS+ HN      2.60
         QG     36 SER  HN      5.88
         QE2    37 LYS+ QB      6.87
         QE2    38 GLU- HB2     5.87
 33 LYS+ 
         HN     33 LYS+ HG2     5.00
         HN     33 LYS+ HG3     5.00
         HN     33 LYS+ QG      4.58
         HN     34 ASN  HN      3.10
         HN     34 ASN  QD2     5.87
         HA     33 LYS+ QD      5.88
         HA     33 LYS+ QE      6.00
         HA     79 PHE  CG      7.00
         HA     79 PHE  CZ      7.00
         HA     79 PHE  HZ      5.00
         QB     34 ASN  HN      4.50
         QB     34 ASN  QD2     6.87
         QG     34 ASN  HN      5.88
 34 ASN  
         HN     34 ASN  HB2     3.70
         HN     34 ASN  HB3     3.70
         HN     34 ASN  QB      3.39
         HN     34 ASN  HD21    5.00
         HN     34 ASN  HD22    5.00
         HA     35 PRO  HG2     5.00
         HA     35 PRO  HG3     5.00
         HA     35 PRO  HD2     3.80
         HA     35 PRO  HD3     3.80
         HA     35 PRO  QD      3.40
         HA     79 PHE  CG      7.00
         HB2    35 PRO  HD2     6.75
         HB2    35 PRO  HD3     6.75
         HB3    35 PRO  HD2     6.75
         HB3    35 PRO  HD3     6.75
         QB     35 PRO  QD      5.81
 35 PRO  
         HA     36 SER  HN      3.20
         QB     79 PHE  CG      7.88
         HG2    79 PHE  CG      7.00
         HG3    79 PHE  CG      7.00
         QG     79 PHE  CZ      7.88
         HD2    79 PHE  CG      7.00
         HD3    79 PHE  CG      7.00
         QD     79 PHE  CZ      7.88
 36 SER  
         HN     36 SER  HB2     3.60
         HN     36 SER  HB3     3.60
         HN     36 SER  QB      3.29
         HN     37 LYS+ HN      3.90
         HN     39 GLU- HN      5.00
         HN     39 GLU- HB2     4.10
         HN     39 GLU- HB3     4.10
         HN     39 GLU- QB      3.71
         HA     37 LYS+ HN      3.60
         HA     37 LYS+ HA      4.70
         QB     37 LYS+ HN      4.38
 37 LYS+ 
         HN     37 LYS+ QB      3.70
         HN     38 GLU- HN      3.50
         HA     37 LYS+ QD      6.00
         HA     37 LYS+ QE      6.00
         HA     39 GLU- HN      5.00
         HA     40 ARG+ HE      5.00
         HA     41 GLU- HN      5.00
         QB     38 GLU- HN      4.50
         QB     38 GLU- HA      6.00
         QD     38 GLU- HN      6.00
 38 GLU- 
         HN     38 GLU- HB2     3.00
         HN     38 GLU- HB3     3.10
         HN     38 GLU- HG2     4.60
         HN     38 GLU- HG3     4.60
         HN     38 GLU- QG      4.32
         HN     39 GLU- HN      3.40
         HA     38 GLU- HB2     3.00
         HA     38 GLU- HB3     3.00
         HA     38 GLU- HG2     3.60
         HA     38 GLU- HG3     3.60
         HA     41 GLU- HB2     2.90
         HB2    39 GLU- HN      4.10
         HB3    39 GLU- HN      3.60
         QG     39 GLU- HN      4.98
 39 GLU- 
         HN     39 GLU- HB2     3.70
         HN     39 GLU- HB3     3.70
         HN     40 ARG+ HN      3.30
         HN     41 GLU- HN      5.00
         HA     39 GLU- HG2     3.80
         HA     39 GLU- HG3     3.80
         HA     39 GLU- QG      3.31
         HA     42 THR  HB      2.80
         HA     42 THR  QG2     6.00
         QG     79 PHE  HZ      5.88
 40 ARG+ 
         HN     40 ARG+ QB      3.91
         HN     40 ARG+ HG2     5.00
         HN     40 ARG+ HG3     5.00
         HN     40 ARG+ QG      4.58
         HN     41 GLU- HN      3.30
         HN     42 THR  HN      5.00
         HA     40 ARG+ HE      5.00
         HA     42 THR  QG2     6.00
         HA     43 LEU  HN      4.30
         HA     43 LEU  QD1     6.00
         HA     44 VAL  HN      5.00
         HA     79 PHE  CG      7.00
         QB     40 ARG+ HE      5.88
         QG     41 GLU- HN      5.88
         QG     75 VAL  QQG     8.44
 41 GLU- 
         HN     41 GLU- HB2     3.10
         HN     41 GLU- HB3     3.40
         HN     41 GLU- HG2     4.50
         HN     41 GLU- HG3     4.50
         HN     41 GLU- QG      4.21
         HN     42 THR  HN      3.20
         HA     41 GLU- HB2     2.80
         HA     41 GLU- QG      4.00
         HA     44 VAL  HN      4.30
         HA     44 VAL  HB      3.30
         HA     44 VAL  QG1     6.00
         HA     44 VAL  QG2     6.00
         HA     72 GLU- QG      5.88
         HB2    42 THR  HN      4.00
         HB2    42 THR  HB      5.00
         HB3    42 THR  HN      3.90
         QG     42 THR  HN      5.88
 42 THR  
         HN     42 THR  HA      2.70
         HN     42 THR  HB      3.00
         HN     43 LEU  HN      2.90
         HN     44 VAL  HN      5.00
         HA     42 THR  HB      2.90
         HA     45 GLU- HN      3.90
         HA     45 GLU- HB3     3.40
         HA     45 GLU- HG2     5.00
         HA     45 GLU- HG3     5.00
         HA     45 GLU- QG      4.14
         HB     43 LEU  HN      3.70
         QG2    43 LEU  HA      6.00
         QG2    45 GLU- HB3     5.90
         QG2    46 GLU- HN      6.00
         QG2    46 GLU- HG2     6.00
         QG2    46 GLU- HG3     6.00
         QG2    46 GLU- QG      5.45
 43 LEU  
         HN     43 LEU  HB2     3.40
         HN     43 LEU  HB3     3.40
         HN     43 LEU  HG      4.10
         HN     43 LEU  QQD     8.40
         HN     44 VAL  HN      3.40
         HN     44 VAL  QG2     6.00
         HN     45 GLU- HN      5.00
         HA     43 LEU  QD1     6.00
         HA     43 LEU  QD2     6.00
         HA     46 GLU- HN      3.90
         HA     46 GLU- HB2     4.10
         HA     46 GLU- HB3     5.00
         HA     46 GLU- QG      5.88
         HB2    44 VAL  HN      5.00
         HB3    44 VAL  HN      5.00
         QB     44 VAL  HN      4.53
         QB     45 GLU- HN      5.88
         QB     75 VAL  QQG     8.44
         HG     44 VAL  HN      5.00
         QD1    75 VAL  QQG     7.16
         QD1    79 PHE  CZ      8.00
         QD1    79 PHE  HZ      6.00
         QD2    79 PHE  CG      8.00
         QD2    79 PHE  CZ      8.00
         QD2    79 PHE  HZ      6.00
 44 VAL  
         HN     44 VAL  HB      3.10
         HN     44 VAL  QG2     4.20
         HN     45 GLU- HN      3.10
         HN     70 VAL  QQG     7.40
         HA     44 VAL  QG1     3.40
         HA     47 CYS  HN      5.00
         HA     47 CYS  HB2     5.00
         HA     47 CYS  HB3     5.00
         HA     47 CYS  QB      4.49
         HA     48 ASN  HN      5.00
         HA     70 VAL  HB      5.00
         HA     70 VAL  QG1     6.00
         HA     70 VAL  QG2     6.00
         HA     70 VAL  QQG     5.11
         HB     75 VAL  QQG     7.56
         QG1    45 GLU- HN      6.00
         QG1    45 GLU- HA      6.00
         QG1    47 CYS  HN      6.00
         QG1    47 CYS  HB2     6.00
         QG1    47 CYS  HB3     6.00
         QG1    48 ASN  HN      6.00
         QG1    48 ASN  HD21    6.00
         QG1    48 ASN  HD22    6.00
         QG1    70 VAL  HB      6.00
         QG1    70 VAL  QQG     6.46
         QG1    71 THR  HA      5.40
         QG1    71 THR  HB      6.00
         QG1    71 THR  QG2     7.00
         QG1    72 GLU- HN      6.00
         QG1    72 GLU- HA      6.00
         QG1    75 VAL  QQG     7.16
         QG2    45 GLU- HN      6.00
         QG2    71 THR  HA      6.00
         QG2    72 GLU- HN      6.00
         QG2    72 GLU- HA      3.40
         QG2    72 GLU- HB2     6.00
         QG2    72 GLU- HB3     6.00
         QG2    72 GLU- QB      5.74
         QG2    72 GLU- HG2     6.00
         QG2    72 GLU- HG3     6.00
         QG2    75 VAL  HN      6.00
         QG2    75 VAL  QG1     7.00
         QG2    75 VAL  QG2     7.00
         QG2    75 VAL  QQG     5.63
 45 GLU- 
         HN     45 GLU- HB2     3.20
         HN     45 GLU- HB3     3.10
         HN     45 GLU- QG      5.08
         HN     46 GLU- HN      3.20
         HN     47 CYS  HN      5.00
         HA     45 GLU- HB2     2.80
         HA     45 GLU- HB3     3.00
         HA     48 ASN  HB2     4.00
         HA     48 ASN  HB3     4.00
         HA     48 ASN  QB      3.70
         HB2    46 GLU- HN      5.00
         HB3    45 GLU- QG      2.60
         HB3    46 GLU- HN      3.20
         HB3    47 CYS  HN      4.80
         QG     46 GLU- HA      5.88
 46 GLU- 
         HN     46 GLU- HB2     3.00
         HN     46 GLU- HB3     3.40
         HN     46 GLU- QG      5.80
         HN     47 CYS  HN      3.30
         HA     46 GLU- HB2     2.80
         HA     46 GLU- QG      4.00
         HA     49 ARG+ HB2     5.00
         HA     49 ARG+ HB3     5.00
         HA     50 ALA  QB      6.00
         HB2    47 CYS  HN      3.60
         HB3    46 GLU- QG      2.60
         HB3    47 CYS  HN      3.80
         QG     47 CYS  HN      5.10
 47 CYS  
         HN     47 CYS  QB      3.87
         HN     48 ASN  HN      3.30
         HN     50 ALA  HN      5.00
         HN     50 ALA  QB      6.00
         HN     70 VAL  QQG     7.40
         HA     48 ASN  HA      5.00
         HA     50 ALA  HN      3.90
         HA     50 ALA  QB      5.70
         HA     70 VAL  QQG     7.56
         HB2    48 ASN  HN      4.20
         HB2    70 VAL  QG1     6.82
         HB2    70 VAL  QG2     6.82
         HB3    48 ASN  HN      4.20
         HB3    70 VAL  QG1     6.82
         HB3    70 VAL  QG2     6.82
         QB     48 ASN  HN      3.81
         QB     70 VAL  QQG     5.03
 48 ASN  
         HN     48 ASN  HB2     4.00
         HN     48 ASN  HB3     4.00
         HN     48 ASN  QB      3.51
         HN     48 ASN  QD2     5.87
         HN     49 ARG+ HN      3.00
         HN     50 ALA  HN      4.80
         HN     70 VAL  HB      5.00
         HN     70 VAL  QQG     7.40
         HA     51 GLU- HN      4.90
         HA     51 GLU- QB      5.00
         HA     65 LEU  QD1     5.70
         HA     65 LEU  QD2     6.00
         HA     69 LEU  QD1     6.00
         HA     70 VAL  QQG     7.40
         HB2    49 ARG+ HN      4.40
         HB3    49 ARG+ HN      4.40
         QB     49 ARG+ HN      4.06
         QD2    70 VAL  QQG     8.27
 49 ARG+ 
         HN     49 ARG+ HB2     3.20
         HN     49 ARG+ HB3     3.10
         HN     50 ALA  HN      2.80
         HN     50 ALA  QB      6.00
         HA     49 ARG+ HG2     3.90
         HA     49 ARG+ HG3     3.90
         HA     49 ARG+ QD      6.00
         HA     49 ARG+ HE      5.00
         HA     52 CYS  HB2     5.00
         HA     52 CYS  HB3     4.20
         HB2    49 ARG+ HE      5.00
         HB2    50 ALA  HN      3.60
         HB3    49 ARG+ HE      5.00
         HB3    50 ALA  HN      3.40
         QG     53 ILE  QD1     6.88
         QD     53 ILE  QD1     7.00
 50 ALA  
         HN     50 ALA  QB      3.40
         HN     51 GLU- HN      3.30
         HN     51 GLU- QB      6.00
         HA     51 GLU- QB      6.00
         HA     53 ILE  HN      5.00
         HA     53 ILE  HB      3.10
         HA     53 ILE  QG2     6.00
         HA     53 ILE  QG1     5.88
         HA     53 ILE  QD1     5.80
         QB     53 ILE  HB      6.00
         QB     53 ILE  QG2     7.00
         QB     53 ILE  QD1     7.00
 51 GLU- 
         HN     51 GLU- QG      5.18
         HN     52 CYS  HN      3.50
         HN     62 ALA  QB      6.00
         HN     65 LEU  QD2     6.00
         HA     51 GLU- HG2     4.00
         HA     51 GLU- HG3     4.00
         HA     51 GLU- QG      3.70
         HA     54 GLN  HN      5.00
         HA     54 GLN  QB      5.30
         HA     54 GLN  QG      6.00
         HA     54 GLN  QE2     5.87
         HB2    65 LEU  QD2     6.00
         HB3    65 LEU  QD2     6.00
         HG2    65 LEU  QD2     6.00
         HG3    65 LEU  QD2     6.00
         QG     52 CYS  HN      5.88
 52 CYS  
         HN     52 CYS  HB3     3.40
         HN     53 ILE  QG1     5.88
         HN     65 LEU  QD2     6.00
         HA     52 CYS  HB2     3.00
         HA     52 CYS  HB3     2.70
         HA     54 GLN  HN      5.00
         HA     55 ARG+ HN      5.00
         HA     57 VAL  HB      3.50
         HA     57 VAL  QG1     6.00
         HA     57 VAL  QG2     6.00
         HA     62 ALA  HA      5.00
         HA     65 LEU  HG      5.00
         HA     65 LEU  QD2     6.00
         HB2    53 ILE  HN      5.00
         HB2    57 VAL  HN      5.00
         HB2    57 VAL  HB      5.00
         HB2    57 VAL  QG2     6.00
         HB2    59 PRO  HA      4.90
         HB3    53 ILE  HN      4.70
         HB3    57 VAL  QG2     6.00
         HB3    59 PRO  HA      4.70
 53 ILE  
         HN     53 ILE  HB      2.70
         HN     53 ILE  HG12    3.70
         HN     53 ILE  HG13    3.70
         HN     53 ILE  QG1     3.49
         HN     54 GLN  HN      2.50
         HN     55 ARG+ HN      5.00
         HA     53 ILE  QG2     3.50
         HA     53 ILE  HG12    3.80
         HA     53 ILE  HG13    3.80
         HA     56 GLY  HA1     4.90
         HA     56 GLY  HA2     4.90
         HA     56 GLY  QA      4.21
         HB     53 ILE  QD1     3.40
         HB     54 GLN  HN      3.00
         QG2    54 GLN  HN      6.00
         QG2    54 GLN  HA      6.00
         QG2    54 GLN  QB      7.00
         QG2    54 GLN  QG      7.00
         QG1    54 GLN  HN      5.88
 54 GLN  
         HN     54 GLN  HA      2.90
         HN     54 GLN  QB      3.60
         HN     54 GLN  QG      6.00
         HN     55 ARG+ HN      3.00
         HA     54 GLN  QE2     5.87
         QB     55 ARG+ HE      6.00
 55 ARG+ 
         HN     55 ARG+ HB2     3.70
         HN     55 ARG+ HB3     3.70
         HN     55 ARG+ QB      3.21
         HN     55 ARG+ QG      4.58
         HN     55 ARG+ QD      5.88
         HN     56 GLY  HN      2.90
         HN     57 VAL  HN      4.70
         HN     57 VAL  HB      5.00
         HN     57 VAL  QG2     6.00
         HA     55 ARG+ QD      5.90
         HB2    56 GLY  HN      5.00
         HB2    57 VAL  HN      5.00
         HB2    57 VAL  QG2     6.00
         HB3    56 GLY  HN      5.00
         HB3    57 VAL  HN      5.00
         HB3    57 VAL  QG2     6.00
         QB     55 ARG+ QD      3.63
         QB     55 ARG+ HE      4.68
         QD     57 VAL  QG2     7.00
         HE     57 VAL  QG2     6.00
 57 VAL  
         HN     57 VAL  QG2     4.80
         HN     58 SER  HN      5.00
         HA     57 VAL  HB      3.00
         HA     57 VAL  QG2     3.40
         HA     58 SER  HN      2.70
         HB     58 SER  HN      5.00
         QG1    58 SER  HN      6.00
         QG1    58 SER  HB2     6.00
         QG1    58 SER  HB3     6.00
         QG1    61 GLN  HN      6.00
         QG1    61 GLN  HA      6.00
         QG1    61 GLN  HB2     6.00
         QG1    61 GLN  HB3     6.00
         QG1    61 GLN  QG      7.00
         QG1    62 ALA  HA      6.00
         QG1    64 GLY  HN      6.00
         QG1    64 GLY  QA      6.88
         QG1    65 LEU  HA      6.00
         QG2    58 SER  HN      6.00
         QG2    58 SER  HB2     6.00
         QG2    61 GLN  QB      6.88
         QG2    62 ALA  HA      6.00
         QG2    64 GLY  QA      6.88
         QG2    65 LEU  HA      6.00
         QG2    65 LEU  HG      4.80
 58 SER  
         HN     58 SER  HB2     3.00
         HN     58 SER  HB3     3.20
         HN     61 GLN  HB2     5.00
         HN     61 GLN  HB3     5.00
         HN     61 GLN  QB      4.14
         HA     58 SER  HB2     2.80
         HA     59 PRO  HD2     3.10
         HA     59 PRO  HD3     3.10
         HA     59 PRO  QD      2.72
         HA     61 GLN  QB      5.78
         HB2    60 SER  HN      5.00
         HB2    61 GLN  HB2     4.60
         HB2    61 GLN  HB3     4.60
         HB2    61 GLN  QB      4.27
         HB2    61 GLN  QG      6.00
         HB3    59 PRO  QD      5.88
         HB3    60 SER  HN      4.30
         HB3    61 GLN  HN      4.40
         HB3    61 GLN  HB2     4.80
         HB3    61 GLN  HB3     4.80
         HB3    61 GLN  QB      4.42
         HB3    61 GLN  QG      6.00
 59 PRO  
         HA     60 SER  HN      3.50
         HA     62 ALA  QB      6.00
         QB     60 SER  HN      4.21
         QB     60 SER  QB      6.75
         HG2    60 SER  HN      5.00
         HG3    60 SER  HN      5.00
 60 SER  
         HN     60 SER  HB2     3.60
         HN     60 SER  HB3     3.60
         HN     61 GLN  HN      3.40
         HA     60 SER  HB2     2.60
         HA     60 SER  HB3     2.60
         HA     62 ALA  HN      5.00
         HA     62 ALA  QB      6.00
         HB2    61 GLN  HN      5.00
         HB3    61 GLN  HN      5.00
 61 GLN  
         HN     61 GLN  QG      5.00
         HN     62 ALA  HN      3.20
         HN     62 ALA  QB      6.00
         HN     63 GLN  HN      5.00
         HA     61 GLN  QB      2.70
         HA     61 GLN  QE2     5.87
         HA     62 ALA  HN      2.90
         HA     62 ALA  HA      4.90
         HA     63 GLN  HN      4.00
         HA     64 GLY  HN      5.00
         HB2    62 ALA  HN      5.00
         HB3    62 ALA  HN      5.00
 62 ALA  
         HN     62 ALA  QB      3.40
         HN     63 GLN  HN      3.30
         HA     63 GLN  HN      3.40
         HA     65 LEU  HG      5.00
         HA     65 LEU  QD1     6.00
         HA     65 LEU  QD2     6.00
         QB     64 GLY  HN      6.00
         QB     65 LEU  QD1     7.00
         QB     69 LEU  QD1     6.70
 63 GLN  
         HN     63 GLN  HB2     3.60
         HN     63 GLN  HB3     3.60
         HN     63 GLN  QG      6.00
         HN     64 GLY  HN      3.20
         HA     63 GLN  HB2     2.90
         HA     63 GLN  HB3     2.90
         HA     63 GLN  QG      3.91
         HA     63 GLN  QE2     5.87
         HA     64 GLY  HN      3.50
         HA     65 LEU  QD2     6.00
         HA     69 LEU  QD1     5.70
         HA     69 LEU  QD2     6.00
         HB2    64 GLY  HN      4.80
         HB3    64 GLY  HN      4.80
         QG     64 GLY  HN      6.00
         QG     69 LEU  QD2     7.00
         HE21   69 LEU  QD2     6.00
         HE22   69 LEU  QD2     6.00
 64 GLY  
         HN     65 LEU  HN      3.10
         HA1    65 LEU  HN      3.60
         HA2    65 LEU  HN      3.60
         QA     66 GLY  HN      4.08
         QA     69 LEU  QD1     6.88
 65 LEU  
         HN     65 LEU  QB      3.54
         HN     65 LEU  QD1     6.00
         HN     65 LEU  QD2     6.00
         HN     66 GLY  HN      4.50
         HA     65 LEU  QD1     6.00
         HA     65 LEU  QD2     5.30
         HA     66 GLY  HN      3.60
         HA     67 SER  HN      5.00
         HA     68 ASN  HN      5.00
         HB2    66 GLY  HN      5.00
         HB2    68 ASN  HB2     6.75
         HB2    68 ASN  HB3     6.75
         HB2    69 LEU  HN      5.00
         HB2    69 LEU  QD1     6.00
         HB3    66 GLY  HN      5.00
         HB3    68 ASN  HB2     6.75
         HB3    68 ASN  HB3     6.75
         HB3    69 LEU  HN      5.00
         HB3    69 LEU  QD1     6.00
         QB     66 GLY  HN      4.72
         QB     67 SER  HN      5.88
         QB     68 ASN  HN      5.88
         QB     68 ASN  QB      5.81
         QB     69 LEU  HN      4.82
         QB     69 LEU  HA      5.88
         QD1    69 LEU  HA      5.10
         QD1    69 LEU  QD1     7.00
         QD2    66 GLY  HN      6.00
         QD2    68 ASN  HB2     6.00
         QD2    68 ASN  HB3     6.00
 66 GLY  
         HN     67 SER  HN      4.40
         HN     69 LEU  HB2     5.00
         QA     68 ASN  HN      5.88
         QA     69 LEU  HN      5.88
         QA     69 LEU  QD2     6.88
 67 SER  
         HN     67 SER  HB2     3.00
         HN     67 SER  HB3     3.20
         HN     68 ASN  HN      3.20
         HN     68 ASN  QB      5.88
         HN     69 LEU  HN      5.00
         HA     67 SER  HB2     3.00
         HA     67 SER  HB3     3.00
         HA     69 LEU  HN      5.00
         HB2    68 ASN  HN      5.00
         HB2    68 ASN  QD2     5.87
         HB3    68 ASN  HN      3.90
         HB3    68 ASN  QD2     5.87
 68 ASN  
         HN     68 ASN  HB2     3.70
         HN     68 ASN  HB3     3.70
         HN     68 ASN  QB      3.30
         HN     68 ASN  QD2     5.87
         HN     69 LEU  HN      3.00
         HN     69 LEU  HB2     5.00
         HB2    69 LEU  HN      5.00
         HB3    69 LEU  HN      5.00
 69 LEU  
         HN     69 LEU  HB2     2.80
         HN     69 LEU  HB3     3.10
         HN     69 LEU  HG      5.00
         HN     69 LEU  QD1     6.00
         HN     69 LEU  QD2     6.00
         HN     70 VAL  QQG     7.40
         HA     69 LEU  HB2     2.90
         HA     69 LEU  HG      3.20
         HA     69 LEU  QD1     3.40
         HA     69 LEU  QD2     6.00
         HA     70 VAL  HN      3.00
         HA     70 VAL  QQG     7.40
         HB2    69 LEU  QD1     3.40
         HB2    69 LEU  QD2     3.40
         HB2    70 VAL  HN      4.10
         HB3    69 LEU  QD2     3.40
         HG     71 THR  QG2     6.00
         QD1    70 VAL  HN      6.00
         QD2    71 THR  HN      6.00
         QD2    71 THR  HB      6.00
         QD2    71 THR  QG2     7.00
 70 VAL  
         HN     70 VAL  HB      3.40
         HN     71 THR  HN      4.50
         HA     71 THR  HN      3.10
         HA     71 THR  QG2     6.00
         HA     74 ARG+ QG      6.00
         HA     74 ARG+ QD      5.88
         HB     71 THR  HN      4.40
         QQG    71 THR  HN      7.40
         QQG    72 GLU- HN      7.40
         QQG    74 ARG+ HN      7.40
 71 THR  
         HN     72 GLU- HN      5.00
         HN     74 ARG+ HN      5.00
         HN     74 ARG+ HB2     4.80
         HN     74 ARG+ HB3     4.80
         HN     74 ARG+ QB      4.15
         HN     74 ARG+ QG      6.00
         HA     71 THR  HB      2.50
         HA     71 THR  QG2     3.40
         HA     72 GLU- HN      3.00
         HA     73 VAL  HN      5.00
         HB     72 GLU- HN      3.20
         HB     73 VAL  HN      3.50
         HB     73 VAL  HB      5.00
         HB     73 VAL  QG1     6.00
         HB     74 ARG+ HN      5.00
         QG2    72 GLU- HN      6.00
         QG2    74 ARG+ HN      6.00
         QG2    74 ARG+ QD      6.88
 72 GLU- 
         HN     72 GLU- HB2     3.80
         HN     72 GLU- HB3     3.80
         HN     72 GLU- QB      3.40
         HN     72 GLU- QG      5.88
         HN     73 VAL  HN      3.70
         HA     72 GLU- HG2     4.20
         HA     72 GLU- HG3     4.20
         HA     72 GLU- QG      3.72
         HA     75 VAL  HB      4.40
         HA     75 VAL  QQG     7.56
         HB2    73 VAL  HN      4.30
         HB3    73 VAL  HN      4.30
         QB     73 VAL  HN      3.82
         QB     76 TYR  CG      7.88
         QG     73 VAL  HN      5.88
 73 VAL  
         HN     73 VAL  HB      2.70
         HN     73 VAL  QG2     4.50
         HN     74 ARG+ HN      3.40
         HN     76 TYR  HN      5.00
         HA     73 VAL  HB      2.90
         HA     73 VAL  QG2     3.60
         HA     76 TYR  HN      5.00
         HA     76 TYR  HB2     2.60
         HA     76 TYR  HB3     3.10
         HA     76 TYR  CG      7.00
         HA     76 TYR  CZ      7.00
         HA     77 ASN  HN      5.00
         HB     74 ARG+ HN      4.60
         QG1    74 ARG+ HN      6.00
         QG1    74 ARG+ HA      6.00
         QG1    74 ARG+ QB      6.88
         QG1    74 ARG+ HD2     6.00
         QG1    74 ARG+ HD3     6.00
         QG1    76 TYR  CG      8.00
         QG1    77 ASN  HD21    6.00
         QG1    77 ASN  HD22    6.00
         QG2    74 ARG+ HN      6.00
         QG2    76 TYR  HB3     6.00
         QG2    76 TYR  CG      8.00
         QG2    76 TYR  CZ      8.00
         QG2    77 ASN  HD21    6.00
         QG2    77 ASN  HD22    6.00
 74 ARG+ 
         HN     74 ARG+ QB      3.91
         HN     74 ARG+ QG      6.00
         HN     74 ARG+ HE      5.00
         HN     75 VAL  HN      3.50
         HN     75 VAL  QQG     7.40
         HN     76 TYR  HN      5.00
         HA     74 ARG+ HD2     5.00
         HA     74 ARG+ HD3     5.00
         HA     74 ARG+ QD      4.44
         HA     74 ARG+ HE      5.00
         HA     77 ASN  HN      4.50
         HA     77 ASN  HB2     5.00
         HA     77 ASN  HB3     5.00
         HA     77 ASN  QB      4.72
         HA     77 ASN  HD21    5.00
         HA     77 ASN  HD22    5.00
         HA     78 TRP  HN      5.00
         HB2    74 ARG+ HE      5.00
         HB3    74 ARG+ HE      5.00
         QB     74 ARG+ HE      4.40
         QD     77 ASN  QB      6.35
 75 VAL  
         HN     75 VAL  HB      3.20
         HN     76 TYR  HN      3.50
         HA     77 ASN  HN      5.00
         HA     78 TRP  HN      4.20
         HA     78 TRP  QB      5.88
         HA     78 TRP  HD1     5.00
         HA     79 PHE  CG      7.00
         HB     76 TYR  HN      3.70
         QQG    76 TYR  HN      7.40
         QQG    76 TYR  HA      7.56
         QQG    78 TRP  HN      7.40
         QQG    79 PHE  CG      9.26
         QQG    79 PHE  CZ      9.26
         QQG    79 PHE  HZ      7.56
 76 TYR  
         HN     76 TYR  HB2     3.20
         HN     76 TYR  HB3     3.30
         HN     77 ASN  HN      3.70
         HN     78 TRP  HN      5.00
         HA     76 TYR  HB2     3.00
         HA     76 TYR  CZ      5.60
         HA     79 PHE  HB2     5.00
         HA     79 PHE  HB3     5.00
         HA     79 PHE  CG      7.00
         HB2    77 ASN  HN      3.90
         HB3    77 ASN  HN      3.40
         CG     77 ASN  HN      7.00
         CG     77 ASN  HA      7.00
         CG     80 ALA  QB      8.00
         CZ     77 ASN  HA      7.00
         CZ     80 ALA  QB      8.00
 77 ASN  
         HN     77 ASN  HB2     3.70
         HN     77 ASN  HB3     3.70
         HN     77 ASN  QB      3.35
         HN     77 ASN  QD2     5.87
         HN     78 TRP  HN      3.40
         HN     78 TRP  QB      5.88
         HN     79 PHE  HN      5.00
         HA     77 ASN  HB2     3.00
         HA     77 ASN  HB3     3.00
         HA     80 ALA  HN      3.90
         HA     80 ALA  QB      3.70
         HA     81 ASN  HN      5.00
         HB2    78 TRP  HN      5.00
         HB3    78 TRP  HN      5.00
         QB     78 TRP  HN      4.53
         QB     81 ASN  QB      6.75
 78 TRP  
         HN     78 TRP  HB2     3.90
         HN     78 TRP  HB3     3.90
         HN     78 TRP  QB      3.46
         HN     79 PHE  HN      3.60
         HN     80 ALA  HN      4.70
         HN     80 ALA  QB      6.00
         HA     78 TRP  HD1     5.00
         HA     81 ASN  HN      5.00
         HA     81 ASN  HB2     4.40
         HA     81 ASN  HB3     4.40
         HA     81 ASN  QB      4.06
         HA     81 ASN  QD2     5.87
         HB2    79 PHE  HN      4.40
         HB2    79 PHE  CG      7.00
         HB3    79 PHE  HN      4.40
         HB3    79 PHE  CG      7.00
         QB     79 PHE  HN      4.06
         HE3    82 ARG+ HG2     5.00
         HE3    82 ARG+ HG3     5.00
         HE3    82 ARG+ HD2     5.00
         HE3    82 ARG+ HD3     5.00
         HE3    82 ARG+ QD      4.82
         HZ3    82 ARG+ QG      5.88
         HZ3    82 ARG+ HD2     5.00
         HZ3    82 ARG+ HD3     5.00
         HZ2    79 PHE  CZ      7.00
         HZ2    82 ARG+ QG      5.88
         HH2    79 PHE  CG      7.00
         HH2    79 PHE  CZ      7.00
         HH2    82 ARG+ QB      5.88
         HH2    82 ARG+ QG      5.88
 79 PHE  
         HN     79 PHE  HB2     4.00
         HN     79 PHE  HB3     4.00
         HN     79 PHE  QB      3.65
         HN     80 ALA  HN      3.10
         HA     81 ASN  HN      5.00
         HA     82 ARG+ HN      4.80
         HA     82 ARG+ HB2     5.00
         HA     82 ARG+ HB3     5.00
         HB2    80 ALA  HN      5.00
         HB3    80 ALA  HN      5.00
         QB     80 ALA  HN      4.40
 80 ALA  
         HN     81 ASN  HN      3.10
         HN     82 ARG+ HN      5.00
         HA     83 ARG+ HN      5.00
         HA     83 ARG+ HE      5.00
         QB     81 ASN  HA      6.00
 81 ASN  
         HN     81 ASN  QB      3.59
         HN     82 ARG+ HN      3.20
         HA     81 ASN  HB2     3.00
         HA     81 ASN  HB3     3.00
         HA     83 ARG+ QG      5.88
         HA     84 LYS+ HN      5.00
         HA     84 LYS+ QB      5.00
         HA     85 GLU- HN      5.00
         HB2    82 ARG+ HN      4.60
         HB3    82 ARG+ HN      4.60
         QB     82 ARG+ HN      4.17
 82 ARG+ 
         HN     82 ARG+ HB2     3.80
         HN     82 ARG+ HB3     3.80
         HN     82 ARG+ QB      3.50
         HN     82 ARG+ QG      5.88
         HN     83 ARG+ HN      3.40
         HA     82 ARG+ HD2     4.90
         HA     82 ARG+ HD3     4.90
         HA     82 ARG+ QD      4.21
         HA     82 ARG+ HE      4.90
         HA     85 GLU- HN      4.90
         HA     85 GLU- HB2     3.50
         HA     85 GLU- HB3     4.70
         HA     86 GLU- HN      5.00
         HB2    82 ARG+ HE      5.00
         HB2    83 ARG+ HN      4.60
         HB3    82 ARG+ HE      5.00
         HB3    83 ARG+ HN      4.60
         QB     83 ARG+ HN      4.37
 83 ARG+ 
         HN     83 ARG+ HG2     4.70
         HN     83 ARG+ HG3     4.70
         HN     84 LYS+ HN      3.50
         HA     83 ARG+ QD      4.90
         HA     86 GLU- HN      5.00
         HA     87 ALA  HN      4.90
         HB2    83 ARG+ HE      5.00
         HB3    83 ARG+ HE      5.00
         QB     84 LYS+ HN      4.48
         QG     84 LYS+ HN      5.88
         QD     87 ALA  QB      7.00
 84 LYS+ 
         HN     84 LYS+ QB      3.60
         HN     84 LYS+ HG2     5.00
         HN     84 LYS+ HG3     5.00
         HN     85 GLU- HN      3.10
         HA     84 LYS+ HG2     4.10
         HA     84 LYS+ HG3     4.10
         HA     84 LYS+ QG      3.85
         HA     84 LYS+ QD      6.00
         HA     84 LYS+ QE      6.00
         HA     86 GLU- HN      3.80
         HA     87 ALA  HN      3.70
         HA     87 ALA  QB      3.80
         QB     84 LYS+ QE      7.00
         QB     85 GLU- HN      4.70
         QB     87 ALA  QB      7.00
         QG     85 GLU- HN      5.88
         QD     87 ALA  QB      4.90
         QE     87 ALA  QB      7.00
 85 GLU- 
         HN     85 GLU- HB2     3.00
         HN     85 GLU- HB3     3.00
         HN     85 GLU- QG      4.98
         HN     86 GLU- HN      3.00
         HN     88 PHE  QB      6.00
         HA     85 GLU- HB2     3.00
         HA     85 GLU- HG2     3.60
         HA     85 GLU- HG3     3.60
         HA     85 GLU- QG      3.34
         HA     88 PHE  QB      4.60
         HA     88 PHE  QR      7.40
         QG     88 PHE  QB      6.88
 86 GLU- 
         HN     86 GLU- QB      3.60
         HN     86 GLU- HG2     5.00
         HN     86 GLU- HG3     5.00
         HN     86 GLU- QG      4.49
         HN     87 ALA  HN      3.00
         HN     87 ALA  QB      6.00
         HA     86 GLU- HG2     3.80
         HA     86 GLU- HG3     3.80
         HA     86 GLU- QG      3.14
         HA     89 ARG+ QB      4.90
         QB     87 ALA  QB      7.00
         HG2    87 ALA  HN      5.00
         HG3    87 ALA  HN      5.00
         QG     90 HIS  HB3     5.88
 87 ALA  
         HN     88 PHE  HN      2.80
         HN     88 PHE  QB      6.00
         HA     90 HIS  HB2     4.20
         HA     90 HIS  HB3     3.90
         HA     90 HIS  HD2     5.00
         QB     88 PHE  HA      6.00
         QB     90 HIS  HN      6.00
         QB     91 LYS+ HN      6.00
 88 PHE  
         HA     90 HIS  HN      5.00
         HA     91 LYS+ HN      4.10
         HA     91 LYS+ QB      5.00
         QB     99 LEU  HG      4.50
 89 ARG+ 
         HN     89 ARG+ HB2     3.00
         HN     89 ARG+ HB3     3.00
         HN     89 ARG+ QB      2.72
         HN     89 ARG+ QG      6.00
         HN     89 ARG+ HE      5.00
         HA     89 ARG+ QD      6.00
         HA     89 ARG+ HE      5.00
         HA     90 HIS  HN      3.50
         HA     92 LEU  HN      4.40
         HA     92 LEU  QB      5.88
         HA     92 LEU  QD2     6.00
         HB2    89 ARG+ HE      5.00
         HB3    89 ARG+ HE      5.00
         QB     89 ARG+ HE      4.72
         QG     90 HIS  HN      6.00
         HE     93 ALA  QB      6.00
 90 HIS  
         HN     90 HIS  HB2     3.20
         HN     90 HIS  HB3     3.40
         HN     91 LYS+ HN      2.60
         HA     90 HIS  HB2     2.90
         HA     90 HIS  HD2     5.00
         HA     93 ALA  QB      6.00
         HB2    91 LYS+ HN      4.90
         HB3    91 LYS+ HN      3.40
 91 LYS+ 
         HN     91 LYS+ QB      3.40
         HN     91 LYS+ QG      6.00
         HN     92 LEU  QD1     6.00
         HN     92 LEU  QD2     6.00
         QB     92 LEU  HN      6.00
         QG     92 LEU  HN      6.00
 92 LEU  
         HN     92 LEU  HA      2.70
         HN     92 LEU  QD1     6.00
         HN     92 LEU  QD2     6.00
         HA     92 LEU  QD2     6.00
         HA     93 ALA  QB      6.00
         HA     94 MET  HN      4.80
         HA     95 ASP- QB      5.90
         QD2    93 ALA  HN      6.00
 93 ALA  
         HN     93 ALA  HA      2.60
         HN     93 ALA  QB      3.60
         HN     94 MET  HN      3.00
         HA     94 MET  HN      3.00
         HA     95 ASP- HN      4.20
         QB     94 MET  HA      6.00
         QB     95 ASP- HN      6.00
 94 MET  
         HN     94 MET  QB      3.90
         HN     94 MET  HG2     5.00
         HN     94 MET  HG3     5.00
         HN     94 MET  QG      4.63
         HN     95 ASP- HN      2.90
         HA     94 MET  QE      6.00
         HA     95 ASP- HN      3.00
         HA     96 THR  HN      5.00
         QB     95 ASP- HN      4.50
 95 ASP- 
         HN     95 ASP- QB      3.80
         HN     96 THR  HN      3.30
 96 THR  
         HB     97 TYR  HN      2.80
         QG2    97 TYR  HN      6.00
 97 TYR  
         HN     97 TYR  HB2     3.80
         HN     97 TYR  HB3     3.80
         HN     97 TYR  QB      3.50
         HA     98 LYS+ HN      3.10
         HB2    98 LYS+ HN      3.70
         HB3    98 LYS+ HN      3.70
         QB     98 LYS+ HN      3.49
 98 LYS+ 
         HN     98 LYS+ HA      2.80
         HN     98 LYS+ HB2     3.70
         HN     98 LYS+ HB3     3.70
         HN     98 LYS+ QB      3.44
         HN     98 LYS+ QG      6.00
         HN     99 LEU  HN      3.50
         HA     98 LYS+ QD      6.00
         HB2    99 LEU  HN      4.80
         HB3    99 LEU  HN      4.80
         QB     98 LYS+ QE      7.00
         QB     99 LEU  HN      4.42
 99 LEU  
         HN     99 LEU  HA      2.70
         HN     99 LEU  QB      3.80
         HN    100 ASN  HN      3.20
         HA     99 LEU  HG      3.90
         HA     99 LEU  QD1     5.00
         HA     99 LEU  QD2     5.80
         HA    100 ASN  HN      3.30
         QB    100 ASN  HN      5.40

   2 ALA   PHI      35.0   325.0
   2 ALA   PSI    -105.0   225.0
   3 ARG+  PHI      35.0   305.0
   3 ARG+  PSI      55.0   175.0
   4 ILE   PHI      35.0   295.0
   4 ILE   PSI    -105.0   225.0
   4 ILE   CHI1     55.0   185.0
   5 ASP-  PHI      35.0   305.0
   5 ASP-  PSI    -105.0   225.0
   7 THR   PHI      35.0   305.0
   7 THR   PSI    -105.0   105.0
   8 LYS+  PHI      35.0   295.0
   8 LYS+  PSI    -145.0   135.0
   9 LYS+  PHI      35.0   305.0
   9 LYS+  PSI      15.0   215.0
  11 ARG+  PHI      35.0   305.0
  11 ARG+  PSI    -165.0   165.0
  12 ARG+  PHI     -75.0   -55.0
  12 ARG+  PSI     145.0   185.0
  12 ARG+  CHI1    135.0   235.0
  13 ASN   PHI      65.0   305.0
  13 ASN   PSI    -105.0    15.0
  13 ASN   CHI1      5.0   275.0
  14 ARG+  PHI    -145.0   -55.0
  14 ARG+  PSI    -105.0   -25.0
  14 ARG+  CHI1     25.0   105.0
  15 PHE   PHI    -145.0   -65.0
  15 PHE   PSI      35.0   195.0
  15 PHE   CHI1    135.0   235.0
  16 LYS+  PHI      45.0   295.0
  16 LYS+  PSI      95.0   195.0
  16 LYS+  CHI1     15.0   115.0
  17 TRP   PHI      35.0   315.0
  17 TRP   PSI    -105.0   225.0
  20 ALA   PHI      35.0   325.0
  20 ALA   PSI    -105.0   105.0
  21 SER   PHI      85.0   325.0
  21 SER   PSI    -105.0   115.0
  22 GLN   PHI      35.0   325.0
  22 GLN   PSI    -105.0   115.0
  23 GLN   PHI      35.0   325.0
  23 GLN   PSI    -105.0   115.0
  24 ILE   PHI    -175.0   -35.0
  24 ILE   PSI    -105.0   -15.0
  24 ILE   CHI1    135.0   355.0
  25 LEU   PHI      65.0   325.0
  25 LEU   PSI    -105.0    15.0
  25 LEU   CHI1     -5.0   285.0
  26 PHE   PHI     155.0   325.0
  26 PHE   PSI     -95.0   105.0
  27 GLN   PHI      35.0   325.0
  27 GLN   PSI    -105.0   115.0
  27 GLN   CHI1     35.0    95.0
  28 ALA   PHI      35.0   315.0
  28 ALA   PSI    -105.0   115.0
  29 TYR   PHI      85.0   325.0
  29 TYR   PSI    -105.0   115.0
  30 GLU-  PHI      85.0   325.0
  30 GLU-  PSI    -105.0   105.0
  31 ARG+  PHI      45.0   285.0
  31 ARG+  PSI     -85.0    75.0
  32 GLN   PHI      35.0   305.0
  32 GLN   PSI      55.0   185.0
  33 LYS+  PHI      35.0   325.0
  33 LYS+  PSI    -105.0    95.0
  34 ASN   PHI      35.0   285.0
  34 ASN   PSI    -105.0   225.0
  36 SER   PHI     175.0   325.0
  36 SER   PSI    -105.0   -25.0
  36 SER   CHI1   -105.0   235.0
  37 LYS+  PHI     155.0   325.0
  37 LYS+  PSI    -105.0   115.0
  38 GLU-  PHI     -75.0   -35.0
  38 GLU-  PSI    -105.0    -5.0
  38 GLU-  CHI1    125.0   245.0
  39 GLU-  PHI     -75.0   195.0
  39 GLU-  PSI    -105.0   105.0
  40 ARG+  PHI     -75.0   195.0
  40 ARG+  PSI    -105.0   105.0
  41 GLU-  PHI    -175.0   -35.0
  41 GLU-  PSI     -95.0     5.0
  41 GLU-  CHI1     -5.0   245.0
  42 THR   PHI    -175.0   -45.0
  42 THR   PSI     -85.0    -5.0
  42 THR   CHI1    135.0   355.0
  43 LEU   PHI    -185.0    45.0
  43 LEU   PSI    -105.0   105.0
  43 LEU   CHI1    -25.0   285.0
  44 VAL   PHI    -185.0    45.0
  44 VAL   PSI     -95.0    85.0
  44 VAL   CHI1     -5.0   245.0
  45 GLU-  PHI    -165.0   -35.0
  45 GLU-  PSI     -95.0   -15.0
  45 GLU-  CHI1    105.0   255.0
  46 GLU-  PHI     -75.0   -35.0
  46 GLU-  PSI     -95.0   -15.0
  46 GLU-  CHI1     15.0   245.0
  47 CYS   PHI      85.0   325.0
  47 CYS   PSI    -105.0     5.0
  47 CYS   CHI1   -285.0    25.0
  48 ASN   PHI     155.0   325.0
  48 ASN   PSI     -85.0    -5.0
  48 ASN   CHI1   -295.0     5.0
  49 ARG+  PHI    -165.0   -45.0
  49 ARG+  PSI     -75.0   -15.0
  49 ARG+  CHI1    165.0   255.0
  50 ALA   PHI      85.0   325.0
  50 ALA   PSI    -105.0   105.0
  51 GLU-  PHI      35.0   315.0
  51 GLU-  PSI    -105.0   115.0
  52 CYS   PHI      85.0   325.0
  52 CYS   PSI    -105.0   125.0
  52 CYS   CHI1     -5.0   185.0
  53 ILE   PHI    -155.0   -65.0
  53 ILE   PSI     -75.0   -25.0
  53 ILE   CHI1   -135.0   -35.0
  54 GLN   PHI     -75.0   195.0
  54 GLN   PSI     -85.0    95.0
  55 ARG+  PHI    -175.0    55.0
  55 ARG+  PSI     -95.0    75.0
  55 ARG+  CHI1     65.0   345.0
  57 VAL   PHI      35.0   285.0
  57 VAL   PSI      45.0   185.0
  58 SER   PHI     -75.0   -35.0
  58 SER   PSI      85.0   355.0
  58 SER   CHI1    105.0   245.0
  60 SER   PHI    -105.0   -55.0
  60 SER   PSI    -105.0    65.0
  60 SER   CHI1     35.0    95.0
  61 GLN   PHI      35.0   275.0
  61 GLN   PSI      25.0   105.0
  61 GLN   CHI1    -85.0   215.0
  62 ALA   PHI      35.0   315.0
  62 ALA   PSI     -25.0   105.0
  63 GLN   PHI    -195.0    45.0
  63 GLN   PSI     -95.0    95.0
  63 GLN   CHI1   -145.0   155.0
  65 LEU   PHI    -175.0    65.0
  65 LEU   PSI      25.0   315.0
  65 LEU   CHI1     65.0   355.0
  67 SER   PHI    -165.0   -35.0
  67 SER   PSI     -95.0    15.0
  67 SER   CHI1    125.0   255.0
  68 ASN   PHI      35.0   295.0
  68 ASN   PSI     -95.0    85.0
  68 ASN   CHI1   -295.0     5.0
  69 LEU   PHI     -75.0   -35.0
  69 LEU   PSI     115.0   215.0
  69 LEU   CHI1    145.0   245.0
  70 VAL   PHI      35.0   325.0
  70 VAL   PSI      15.0   225.0
  70 VAL   CHI1    -35.0   285.0
  71 THR   PHI      45.0   285.0
  71 THR   PSI     125.0   215.0
  71 THR   CHI1     45.0   175.0
  72 GLU-  PHI     155.0   325.0
  72 GLU-  PSI    -105.0    -5.0
  72 GLU-  CHI1     -5.0   285.0
  73 VAL   PHI     -65.0   -35.0
  73 VAL   PSI     -95.0   -15.0
  73 VAL   CHI1     35.0   155.0
  74 ARG+  PHI      35.0   315.0
  74 ARG+  PSI    -105.0   115.0
  74 ARG+  CHI1   -205.0    65.0
  75 VAL   PHI      75.0   305.0
  75 VAL   PSI    -105.0     5.0
  75 VAL   CHI1     -5.0   255.0
  76 TYR   PHI     -65.0   -35.0
  76 TYR   PSI    -105.0   -15.0
  76 TYR   CHI1   -265.0    15.0
  77 ASN   PHI     165.0   325.0
  77 ASN   PSI    -105.0    45.0
  77 ASN   CHI1   -295.0     5.0
  78 TRP   PHI     155.0   325.0
  78 TRP   PSI    -105.0   -15.0
  78 TRP   CHI1     -5.0   285.0
  79 PHE   PHI      75.0   325.0
  79 PHE   PSI     -95.0     5.0
  79 PHE   CHI1   -295.0     5.0
  80 ALA   PHI      35.0   325.0
  80 ALA   PSI     -95.0    95.0
  81 ASN   PHI     165.0   325.0
  81 ASN   PSI    -105.0    15.0
  81 ASN   CHI1   -295.0     5.0
  82 ARG+  PHI      35.0   325.0
  82 ARG+  PSI    -105.0   105.0
  83 ARG+  PHI      75.0   325.0
  83 ARG+  PSI    -105.0     5.0
  84 LYS+  PHI     -75.0   195.0
  84 LYS+  PSI     -95.0    95.0
  85 GLU-  PHI     -85.0   -35.0
  85 GLU-  PSI     -85.0    15.0
  85 GLU-  CHI1    125.0   235.0
  86 GLU-  PHI      35.0   325.0
  86 GLU-  PSI     -95.0    95.0
  87 ALA   PHI      45.0   315.0
  87 ALA   PSI     -85.0    85.0
  88 PHE   PHI      35.0   325.0
  88 PHE   PSI    -105.0   225.0
  89 ARG+  PHI     -85.0   -45.0
  89 ARG+  PSI    -285.0    15.0
  89 ARG+  CHI1    125.0   235.0
  90 HIS   PHI     175.0   305.0
  90 HIS   PSI     -75.0    -5.0
  90 HIS   CHI1     -5.0   265.0
  91 LYS+  PHI      35.0   315.0
  91 LYS+  PSI    -105.0   225.0
  92 LEU   PHI      35.0   305.0
  92 LEU   PSI    -105.0   225.0
  93 ALA   PHI      35.0    95.0
  93 ALA   PSI      15.0    95.0
  94 MET   PHI      35.0   275.0
  94 MET   PSI      15.0    85.0
  95 ASP-  PHI      35.0   305.0
  95 ASP-  PSI    -105.0   105.0
  96 THR   PHI      35.0   295.0
  96 THR   PSI     145.0   325.0
  96 THR   CHI1   -125.0   135.0
  97 TYR   PHI      35.0   305.0
  97 TYR   PSI     125.0   225.0
  97 TYR   CHI1    -35.0   285.0
  98 LYS+  PHI      35.0   305.0
  98 LYS+  PSI    -105.0   105.0
  98 LYS+  CHI1   -295.0    35.0
  99 LEU   PHI      35.0   195.0
  99 LEU   PSI      -5.0   105.0
 100 ASN   PHI      35.0   295.0
 100 ASN   PSI    -105.0   225.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   0          3H        MET   0 -10.676  24.572   8.622
    2   2H    MET   0          1H        MET   0  -9.596  25.755   9.003
    3   3H    MET   0          2H        MET   0 -11.183  26.150   8.591
    4    HA   MET   0           HA       MET   0 -10.848  25.221   6.442
    5   1HB   MET   0          2HB       MET   0 -10.188  27.674   7.189
    6   2HB   MET   0          3HB       MET   0  -8.549  27.142   6.813
    7   1HG   MET   0          2HG       MET   0  -9.697  28.414   5.045
    8   2HG   MET   0          3HG       MET   0  -9.209  26.847   4.446
    9   1HE   MET   0          3HE       MET   0 -11.018  24.749   4.275
   10   2HE   MET   0          1HE       MET   0 -12.412  25.232   3.292
   11   3HE   MET   0          2HE       MET   0 -10.773  25.688   2.787
   12    H    ALA   1           H        ALA   1  -8.287  25.245   5.030
   13    HA   ALA   1           HA       ALA   1  -6.565  23.933   4.523
   14   1HB   ALA   1          1HB       ALA   1  -5.579  24.515   6.649
   15   2HB   ALA   1          2HB       ALA   1  -6.372  23.133   7.431
   16   3HB   ALA   1          3HB       ALA   1  -5.193  22.859   6.142
   17    H    ARG   2           H        ARG   2  -8.226  21.956   6.975
   18    HA   ARG   2           HA       ARG   2  -9.299  20.059   6.975
   19   1HB   ARG   2          1HB       ARG   2 -10.839  19.564   5.441
   20   2HB   ARG   2          2HB       ARG   2 -10.388  21.149   4.822
   21   1HG   ARG   2          1HG       ARG   2  -8.777  19.851   3.233
   22   2HG   ARG   2          2HG       ARG   2  -9.581  18.391   3.771
   23   1HD   ARG   2          1HD       ARG   2 -11.443  18.777   2.543
   24   2HD   ARG   2          2HD       ARG   2 -11.510  20.474   2.965
   25    HE   ARG   2           HE       ARG   2  -9.586  20.811   1.309
   26   1HH1  ARG   2          2HH2      ARG   2 -11.439  17.883   0.701
   27   2HH1  ARG   2          1HH2      ARG   2 -11.684  18.222  -0.966
   28   1HH2  ARG   2          2HH1      ARG   2 -10.221  21.471  -0.844
   29   2HH2  ARG   2          1HH1      ARG   2 -10.927  20.280  -1.876
   30    H    ILE   3           H        ILE   3  -9.048  17.692   6.670
   31    HA   ILE   3           HA       ILE   3  -6.425  16.919   5.547
   32    HB   ILE   3           HB       ILE   3  -6.549  14.994   6.821
   33   1HG1  ILE   3          1HG1      ILE   3  -8.571  14.759   8.534
   34   2HG1  ILE   3          2HG1      ILE   3  -9.486  15.536   7.246
   35   1HG2  ILE   3          3HG2      ILE   3  -6.010  17.153   7.993
   36   2HG2  ILE   3          1HG2      ILE   3  -7.641  17.108   8.689
   37   3HG2  ILE   3          2HG2      ILE   3  -6.482  15.813   9.052
   38   1HD1  ILE   3          1HD1      ILE   3  -8.653  13.639   5.705
   39   2HD1  ILE   3          2HD1      ILE   3  -7.822  12.972   7.097
   40   3HD1  ILE   3          3HD1      ILE   3  -9.589  13.064   7.096
   41    H    ASP   4           H        ASP   4  -6.449  15.917   3.561
   42    HA   ASP   4           HA       ASP   4  -8.958  14.684   2.578
   43   1HB   ASP   4          1HB       ASP   4  -8.076  17.228   1.697
   44   2HB   ASP   4          2HB       ASP   4  -7.473  16.105   0.474
   45    HA   PRO   5           HA       PRO   5  -6.123  11.493   1.738
   46   1HB   PRO   5          1HB       PRO   5  -7.001  10.270  -0.565
   47   2HB   PRO   5          2HB       PRO   5  -7.850  10.157   1.004
   48   1HG   PRO   5          1HG       PRO   5  -8.396  12.126  -1.244
   49   2HG   PRO   5          2HG       PRO   5  -9.573  11.058  -0.436
   50   1HD   PRO   5          1HD       PRO   5  -9.295  13.610   0.354
   51   2HD   PRO   5          2HD       PRO   5  -9.405  12.347   1.615
   52    H    THR   6           H        THR   6  -4.144  11.468   0.964
   53    HA   THR   6           HA       THR   6  -3.083  13.280  -1.016
   54    HB   THR   6           HB       THR   6  -1.063  11.687  -0.556
   55    HG1  THR   6          1HG       THR   6  -1.587  10.466   1.493
   56   1HG2  THR   6          2HG2      THR   6  -1.461  13.839   0.645
   57   2HG2  THR   6          3HG2      THR   6  -2.441  12.971   1.847
   58   3HG2  THR   6          1HG2      THR   6  -0.706  12.614   1.675
   59    H    LYS   7           H        LYS   7  -3.308   9.787  -0.780
   60    HA   LYS   7           HA       LYS   7  -3.788   9.204  -3.608
   61   1HB   LYS   7          1HB       LYS   7  -1.462   9.969  -3.634
   62   2HB   LYS   7          2HB       LYS   7  -1.044   8.968  -2.256
   63   1HG   LYS   7          1HG       LYS   7  -0.124   7.982  -4.160
   64   2HG   LYS   7          2HG       LYS   7  -1.448   6.909  -3.706
   65   1HD   LYS   7          1HD       LYS   7  -2.798   7.608  -5.546
   66   2HD   LYS   7          2HD       LYS   7  -1.970   9.162  -5.660
   67   1HE   LYS   7          1HE       LYS   7   0.118   7.980  -6.444
   68   2HE   LYS   7          2HE       LYS   7  -0.808   6.465  -6.502
   69   1HZ   LYS   7          2HZ       LYS   7  -1.442   8.934  -8.009
   70   2HZ   LYS   7          3HZ       LYS   7  -0.706   7.586  -8.644
   71   3HZ   LYS   7          1HZ       LYS   7  -2.249   7.519  -8.130
   72    H    LYS   8           H        LYS   8  -1.884   7.771  -0.961
   73    HA   LYS   8           HA       LYS   8  -3.632   6.167   0.410
   74   1HB   LYS   8          1HB       LYS   8  -3.053   5.099  -2.311
   75   2HB   LYS   8          2HB       LYS   8  -2.540   3.994  -1.051
   76   1HG   LYS   8          1HG       LYS   8  -4.632   3.823  -0.066
   77   2HG   LYS   8          2HG       LYS   8  -5.311   5.180  -0.962
   78   1HD   LYS   8          1HD       LYS   8  -4.309   2.581  -2.249
   79   2HD   LYS   8          2HD       LYS   8  -5.989   2.852  -1.788
   80   1HE   LYS   8          1HE       LYS   8  -4.408   4.351  -3.933
   81   2HE   LYS   8          2HE       LYS   8  -5.805   3.298  -4.136
   82   1HZ   LYS   8          2HZ       LYS   8  -7.098   4.948  -2.848
   83   2HZ   LYS   8          3HZ       LYS   8  -5.805   5.985  -2.929
   84   3HZ   LYS   8          1HZ       LYS   8  -6.532   5.464  -4.300
   85    H    GLY   9           H        GLY   9  -2.410   4.929   1.982
   86   1HA   GLY   9          1HA       GLY   9   0.032   3.724   1.117
   87   2HA   GLY   9          2HA       GLY   9   0.320   5.017   2.308
   88    H    ARG  10           H        ARG  10  -0.144   4.612   4.340
   89    HA   ARG  10           HA       ARG  10  -0.710   1.795   5.007
   90   1HB   ARG  10          1HB       ARG  10   1.382   3.294   5.681
   91   2HB   ARG  10          2HB       ARG  10   0.341   3.848   6.969
   92   1HG   ARG  10          1HG       ARG  10   1.477   2.048   7.926
   93   2HG   ARG  10          2HG       ARG  10  -0.080   1.342   7.508
   94   1HD   ARG  10          1HD       ARG  10   1.776  -0.160   6.906
   95   2HD   ARG  10          2HD       ARG  10   0.932   0.337   5.447
   96    HE   ARG  10           HE       ARG  10   3.141   2.126   5.991
   97   1HH1  ARG  10          2HH2      ARG  10   2.746  -1.322   5.115
   98   2HH1  ARG  10          1HH2      ARG  10   3.972  -1.194   3.872
   99   1HH2  ARG  10          2HH1      ARG  10   4.903   2.076   4.680
  100   2HH2  ARG  10          1HH1      ARG  10   5.281   0.651   3.696
  101    H    ARG  11           H        ARG  11  -3.103   2.594   4.436
  102    HA   ARG  11           HA       ARG  11  -4.494   4.297   6.125
  103   1HB   ARG  11          1HB       ARG  11  -5.393   3.342   4.027
  104   2HB   ARG  11          2HB       ARG  11  -5.527   1.767   4.844
  105   1HG   ARG  11          1HG       ARG  11  -7.698   2.531   4.955
  106   2HG   ARG  11          2HG       ARG  11  -7.081   3.029   6.521
  107   1HD   ARG  11          1HD       ARG  11  -8.139   4.955   5.871
  108   2HD   ARG  11          2HD       ARG  11  -6.511   5.302   5.251
  109    HE   ARG  11           HE       ARG  11  -8.090   3.904   3.271
  110   1HH1  ARG  11          2HH2      ARG  11  -7.932   7.129   4.867
  111   2HH1  ARG  11          1HH2      ARG  11  -8.921   7.834   3.586
  112   1HH2  ARG  11          2HH1      ARG  11  -9.075   5.040   1.549
  113   2HH2  ARG  11          1HH1      ARG  11  -9.594   6.701   1.814
  114    H    ASN  12           H        ASN  12  -5.680   4.005   7.989
  115    HA   ASN  12           HA       ASN  12  -4.482   2.122   9.875
  116   1HB   ASN  12          1HB       ASN  12  -5.534   3.287  11.650
  117   2HB   ASN  12          2HB       ASN  12  -4.730   4.413  10.561
  118   1HD2  ASN  12          2HD2      ASN  12  -7.643   6.353  10.322
  119   2HD2  ASN  12          1HD2      ASN  12  -5.893   6.252  10.109
  120    H    ARG  13           H        ARG  13  -7.901   2.718   8.906
  121    HA   ARG  13           HA       ARG  13  -9.019   0.621  10.292
  122   1HB   ARG  13          1HB       ARG  13 -10.855   0.729   8.755
  123   2HB   ARG  13          2HB       ARG  13 -10.267   2.370   9.094
  124   1HG   ARG  13          1HG       ARG  13  -8.935   1.968   6.823
  125   2HG   ARG  13          2HG       ARG  13 -10.148   0.718   6.558
  126   1HD   ARG  13          1HD       ARG  13 -10.501   3.714   6.895
  127   2HD   ARG  13          2HD       ARG  13 -10.855   2.788   5.467
  128    HE   ARG  13           HE       ARG  13 -12.466   3.236   7.878
  129   1HH1  ARG  13          2HH2      ARG  13 -12.075   1.050   5.122
  130   2HH1  ARG  13          1HH2      ARG  13 -13.756   1.059   4.679
  131   1HH2  ARG  13          2HH1      ARG  13 -14.747   2.812   7.644
  132   2HH2  ARG  13          1HH1      ARG  13 -15.322   1.949   6.256
  133    H    PHE  14           H        PHE  14  -7.543   0.581   7.153
  134    HA   PHE  14           HA       PHE  14  -7.940  -2.190   6.491
  135   1HB   PHE  14          1HB       PHE  14  -7.242  -0.434   4.839
  136   2HB   PHE  14          2HB       PHE  14  -5.681  -0.329   5.675
  137    HD1  PHE  14          1HD       PHE  14  -4.075  -2.258   5.628
  138    HD2  PHE  14          2HD       PHE  14  -7.857  -2.481   3.568
  139    HE1  PHE  14          1HE       PHE  14  -3.282  -4.230   4.349
  140    HE2  PHE  14          2HE       PHE  14  -7.084  -4.517   2.437
  141    HZ   PHE  14           HZ       PHE  14  -4.660  -5.147   2.506
  142    H    LYS  15           H        LYS  15  -6.888  -3.926   7.236
  143    HA   LYS  15           HA       LYS  15  -4.158  -3.707   8.317
  144   1HB   LYS  15          1HB       LYS  15  -4.628  -5.676   9.713
  145   2HB   LYS  15          2HB       LYS  15  -5.567  -4.298  10.284
  146   1HG   LYS  15          1HG       LYS  15  -7.611  -5.225   9.672
  147   2HG   LYS  15          2HG       LYS  15  -6.946  -6.149   8.333
  148   1HD   LYS  15          1HD       LYS  15  -5.731  -7.602  10.071
  149   2HD   LYS  15          2HD       LYS  15  -6.751  -6.827  11.279
  150   1HE   LYS  15          1HE       LYS  15  -7.613  -9.021  10.580
  151   2HE   LYS  15          2HE       LYS  15  -8.778  -7.760  10.156
  152   1HZ   LYS  15          1HZ       LYS  15  -6.852  -8.724   8.127
  153   2HZ   LYS  15          2HZ       LYS  15  -8.085  -9.627   8.447
  154   3HZ   LYS  15          3HZ       LYS  15  -8.337  -8.092   7.900
  155    H    TRP  16           H        TRP  16  -2.925  -5.559   7.568
  156    HA   TRP  16           HA       TRP  16  -4.198  -7.167   5.378
  157   1HB   TRP  16          1HB       TRP  16  -1.436  -7.122   6.660
  158   2HB   TRP  16          2HB       TRP  16  -2.014  -8.473   5.672
  159    HD1  TRP  16           HD       TRP  16  -0.401  -5.167   5.250
  160    HE1  TRP  16          1HE       TRP  16  -0.051  -4.748   2.697
  161    HE3  TRP  16          3HE       TRP  16  -3.408  -8.842   3.317
  162    HZ2  TRP  16          2HZ       TRP  16  -1.341  -5.479   0.302
  163    HZ3  TRP  16          3HZ       TRP  16  -3.646  -9.058   0.859
  164    HH2  TRP  16           HH       TRP  16  -2.755  -7.325  -0.648
  165    H    GLY  17           H        GLY  17  -2.352  -8.974   7.745
  166   1HA   GLY  17          1HA       GLY  17  -3.870  -9.273   9.951
  167   2HA   GLY  17          2HA       GLY  17  -4.817 -10.198   8.766
  168    HA   PRO  18           HA       PRO  18  -1.162 -12.472  10.659
  169   1HB   PRO  18          1HB       PRO  18  -2.450 -14.577  11.891
  170   2HB   PRO  18          2HB       PRO  18  -2.206 -12.981  12.648
  171   1HG   PRO  18          1HG       PRO  18  -4.681 -13.995  11.232
  172   2HG   PRO  18          2HG       PRO  18  -4.581 -13.137  12.792
  173   1HD   PRO  18          1HD       PRO  18  -5.189 -11.837  10.466
  174   2HD   PRO  18          2HD       PRO  18  -4.182 -11.056  11.724
  175    H    ALA  19           H        ALA  19  -3.958 -13.889   9.141
  176    HA   ALA  19           HA       ALA  19  -2.580 -16.320   8.197
  177   1HB   ALA  19          1HB       ALA  19  -5.295 -15.109   7.454
  178   2HB   ALA  19          2HB       ALA  19  -4.695 -16.714   6.975
  179   3HB   ALA  19          3HB       ALA  19  -5.017 -16.361   8.685
  180    H    SER  20           H        SER  20  -3.886 -13.277   6.982
  181    HA   SER  20           HA       SER  20  -3.077 -13.082   4.422
  182   1HB   SER  20          1HB       SER  20  -2.691 -10.679   6.066
  183   2HB   SER  20          2HB       SER  20  -3.851 -10.998   4.760
  184    HG   SER  20           HG       SER  20  -5.252 -11.112   6.291
  185    H    GLN  21           H        GLN  21  -0.935 -12.605   7.343
  186    HA   GLN  21           HA       GLN  21   1.288 -11.599   5.760
  187   1HB   GLN  21          1HB       GLN  21   1.456 -13.147   8.387
  188   2HB   GLN  21          2HB       GLN  21   2.734 -12.240   7.588
  189   1HG   GLN  21          1HG       GLN  21   0.392 -11.182   9.137
  190   2HG   GLN  21          2HG       GLN  21   2.101 -10.872   9.331
  191   1HE2  GLN  21          2HE2      GLN  21   0.013  -8.789   6.435
  192   2HE2  GLN  21          1HE2      GLN  21  -0.642 -10.264   7.173
  193    H    GLN  22           H        GLN  22   0.313 -14.838   6.901
  194    HA   GLN  22           HA       GLN  22   2.380 -16.325   5.636
  195   1HB   GLN  22          1HB       GLN  22   1.327 -17.785   6.917
  196   2HB   GLN  22          2HB       GLN  22  -0.183 -16.902   6.927
  197   1HG   GLN  22          1HG       GLN  22  -0.760 -17.909   4.694
  198   2HG   GLN  22          2HG       GLN  22   0.759 -18.828   4.759
  199   1HE2  GLN  22          2HE2      GLN  22  -2.381 -19.775   7.276
  200   2HE2  GLN  22          1HE2      GLN  22  -2.273 -18.164   6.561
  201    H    ILE  23           H        ILE  23  -0.821 -15.269   4.359
  202    HA   ILE  23           HA       ILE  23  -0.608 -16.320   1.804
  203    HB   ILE  23           HB       ILE  23  -1.871 -13.683   2.469
  204   1HG1  ILE  23          1HG1      ILE  23  -2.734 -15.779   3.741
  205   2HG1  ILE  23          2HG1      ILE  23  -3.888 -14.789   2.866
  206   1HG2  ILE  23          1HG2      ILE  23  -2.102 -15.532   0.069
  207   2HG2  ILE  23          2HG2      ILE  23  -3.190 -14.160   0.409
  208   3HG2  ILE  23          3HG2      ILE  23  -1.470 -13.890   0.112
  209   1HD1  ILE  23          2HD1      ILE  23  -2.696 -17.349   1.738
  210   2HD1  ILE  23          3HD1      ILE  23  -4.224 -17.249   2.623
  211   3HD1  ILE  23          1HD1      ILE  23  -4.051 -16.403   1.086
  212    H    LEU  24           H        LEU  24   0.559 -13.086   2.870
  213    HA   LEU  24           HA       LEU  24   1.719 -12.246   0.359
  214   1HB   LEU  24          1HB       LEU  24   2.430 -11.613   3.298
  215   2HB   LEU  24          2HB       LEU  24   3.135 -10.814   1.899
  216    HG   LEU  24           HG       LEU  24   0.247 -10.669   2.800
  217   1HD1  LEU  24          1HD1      LEU  24   1.847  -9.205   3.963
  218   2HD1  LEU  24          2HD1      LEU  24   2.349  -8.518   2.404
  219   3HD1  LEU  24          3HD1      LEU  24   0.689  -8.286   2.983
  220   1HD2  LEU  24          1HD2      LEU  24   1.441  -9.978   0.150
  221   2HD2  LEU  24          2HD2      LEU  24  -0.109 -10.730   0.535
  222   3HD2  LEU  24          3HD2      LEU  24   0.109  -8.995   0.795
  223    H    PHE  25           H        PHE  25   3.228 -13.968   3.155
  224    HA   PHE  25           HA       PHE  25   5.783 -14.208   1.933
  225   1HB   PHE  25          1HB       PHE  25   4.389 -15.979   3.967
  226   2HB   PHE  25          2HB       PHE  25   6.047 -16.216   3.447
  227    HD1  PHE  25          1HD       PHE  25   7.551 -13.952   3.481
  228    HD2  PHE  25          2HD       PHE  25   4.249 -14.897   6.082
  229    HE1  PHE  25          1HE       PHE  25   8.472 -12.434   5.208
  230    HE2  PHE  25          2HE       PHE  25   5.173 -13.383   7.804
  231    HZ   PHE  25           HZ       PHE  25   7.280 -12.135   7.370
  232    H    GLN  26           H        GLN  26   2.953 -16.439   1.782
  233    HA   GLN  26           HA       GLN  26   4.418 -18.235   0.040
  234   1HB   GLN  26          1HB       GLN  26   2.567 -19.654   0.086
  235   2HB   GLN  26          2HB       GLN  26   2.823 -19.035   1.718
  236   1HG   GLN  26          1HG       GLN  26   1.040 -17.375   1.208
  237   2HG   GLN  26          2HG       GLN  26   0.665 -18.225  -0.285
  238   1HE2  GLN  26          2HE2      GLN  26  -0.174 -21.263   1.850
  239   2HE2  GLN  26          1HE2      GLN  26   1.142 -20.929   0.740
  240    H    ALA  27           H        ALA  27   3.222 -15.224  -0.664
  241    HA   ALA  27           HA       ALA  27   2.732 -15.957  -3.514
  242   1HB   ALA  27          1HB       ALA  27   1.561 -14.049  -2.443
  243   2HB   ALA  27          2HB       ALA  27   3.115 -13.213  -2.261
  244   3HB   ALA  27          3HB       ALA  27   2.526 -13.638  -3.887
  245    H    TYR  28           H        TYR  28   5.015 -14.346  -1.353
  246    HA   TYR  28           HA       TYR  28   7.199 -13.940  -3.075
  247   1HB   TYR  28          1HB       TYR  28   6.636 -13.701  -0.288
  248   2HB   TYR  28          2HB       TYR  28   8.036 -14.747  -0.393
  249    HD1  TYR  28          2HD       TYR  28   6.755 -11.598  -2.003
  250    HD2  TYR  28          1HD       TYR  28  10.004 -13.547   0.018
  251    HE1  TYR  28          2HE       TYR  28   8.021  -9.468  -2.009
  252    HE2  TYR  28          1HE       TYR  28  11.246 -11.412   0.099
  253    HH   TYR  28           HH       TYR  28  10.119  -8.541  -1.609
  254    H    GLU  29           H        GLU  29   6.228 -16.938  -1.304
  255    HA   GLU  29           HA       GLU  29   8.478 -18.466  -1.901
  256   1HB   GLU  29          1HB       GLU  29   7.270 -20.380  -1.393
  257   2HB   GLU  29          2HB       GLU  29   6.416 -19.132  -0.507
  258   1HG   GLU  29          1HG       GLU  29   4.840 -19.070  -2.586
  259   2HG   GLU  29          2HG       GLU  29   5.655 -20.586  -3.057
  260    H    ARG  30           H        ARG  30   5.626 -17.842  -3.984
  261    HA   ARG  30           HA       ARG  30   6.556 -19.546  -6.142
  262   1HB   ARG  30          1HB       ARG  30   4.302 -17.502  -5.914
  263   2HB   ARG  30          2HB       ARG  30   4.554 -18.539  -7.319
  264   1HG   ARG  30          1HG       ARG  30   3.846 -20.471  -6.211
  265   2HG   ARG  30          2HG       ARG  30   4.373 -19.880  -4.653
  266   1HD   ARG  30          1HD       ARG  30   2.426 -18.108  -4.922
  267   2HD   ARG  30          2HD       ARG  30   1.767 -19.333  -6.036
  268    HE   ARG  30           HE       ARG  30   2.658 -20.421  -3.458
  269   1HH1  ARG  30          2HH2      ARG  30   0.061 -18.344  -4.728
  270   2HH1  ARG  30          1HH2      ARG  30  -0.918 -18.572  -3.325
  271   1HH2  ARG  30          2HH1      ARG  30   1.445 -20.672  -1.737
  272   2HH2  ARG  30          1HH1      ARG  30  -0.227 -20.009  -1.642
  273    H    GLN  31           H        GLN  31   5.749 -16.034  -6.086
  274    HA   GLN  31           HA       GLN  31   7.819 -15.694  -8.246
  275   1HB   GLN  31          1HB       GLN  31   5.785 -16.108  -9.302
  276   2HB   GLN  31          2HB       GLN  31   4.890 -15.041  -8.227
  277   1HG   GLN  31          1HG       GLN  31   5.807 -13.076  -9.260
  278   2HG   GLN  31          2HG       GLN  31   7.103 -14.012 -10.043
  279   1HE2  GLN  31          2HE2      GLN  31   3.414 -14.005 -11.802
  280   2HE2  GLN  31          1HE2      GLN  31   3.588 -13.244 -10.237
  281    H    LYS  32           H        LYS  32   8.936 -13.890  -8.293
  282    HA   LYS  32           HA       LYS  32   8.612 -11.948  -6.031
  283   1HB   LYS  32          1HB       LYS  32  10.999 -13.214  -7.459
  284   2HB   LYS  32          2HB       LYS  32  11.161 -11.624  -6.735
  285   1HG   LYS  32          1HG       LYS  32  11.971 -13.250  -5.180
  286   2HG   LYS  32          2HG       LYS  32  10.562 -12.398  -4.556
  287   1HD   LYS  32          1HD       LYS  32  10.398 -14.628  -3.876
  288   2HD   LYS  32          2HD       LYS  32   9.133 -14.373  -5.068
  289   1HE   LYS  32          1HE       LYS  32  10.692 -15.541  -6.778
  290   2HE   LYS  32          2HE       LYS  32  11.804 -15.830  -5.429
  291   1HZ   LYS  32          1HZ       LYS  32   9.591 -16.891  -4.436
  292   2HZ   LYS  32          2HZ       LYS  32   9.263 -17.119  -6.007
  293   3HZ   LYS  32          3HZ       LYS  32  10.596 -17.766  -5.384
  294    H    ASN  33           H        ASN  33   8.031 -12.177  -9.340
  295    HA   ASN  33           HA       ASN  33   8.343  -9.226  -9.695
  296   1HB   ASN  33          1HB       ASN  33   9.237 -11.452 -11.530
  297   2HB   ASN  33          2HB       ASN  33   8.482 -10.017 -12.219
  298   1HD2  ASN  33          2HD2      ASN  33  11.804  -8.923 -10.111
  299   2HD2  ASN  33          1HD2      ASN  33  10.485  -9.705  -9.252
  300    HA   PRO  34           HA       PRO  34   4.293 -10.825  -9.538
  301   1HB   PRO  34          1HB       PRO  34   2.754  -8.576  -9.081
  302   2HB   PRO  34          2HB       PRO  34   3.832  -9.318  -7.873
  303   1HG   PRO  34          1HG       PRO  34   4.484  -6.993  -9.694
  304   2HG   PRO  34          2HG       PRO  34   4.720  -7.108  -7.920
  305   1HD   PRO  34          1HD       PRO  34   6.743  -7.622  -9.667
  306   2HD   PRO  34          2HD       PRO  34   6.548  -8.612  -8.184
  307    H    SER  35           H        SER  35   3.520 -11.644 -11.511
  308    HA   SER  35           HA       SER  35   3.832  -9.860 -13.871
  309   1HB   SER  35          1HB       SER  35   3.624 -12.890 -13.680
  310   2HB   SER  35          2HB       SER  35   3.890 -11.932 -15.147
  311    HG   SER  35           HG       SER  35   5.544 -11.886 -12.815
  312    H    LYS  36           H        LYS  36   1.529 -12.610 -13.673
  313    HA   LYS  36           HA       LYS  36  -0.512 -10.739 -13.025
  314   1HB   LYS  36          1HB       LYS  36  -2.207 -11.376 -14.508
  315   2HB   LYS  36          2HB       LYS  36  -0.954 -10.356 -15.173
  316   1HG   LYS  36          1HG       LYS  36  -0.097 -12.033 -16.563
  317   2HG   LYS  36          2HG       LYS  36  -1.036 -13.327 -15.843
  318   1HD   LYS  36          1HD       LYS  36  -2.420 -10.860 -17.009
  319   2HD   LYS  36          2HD       LYS  36  -1.845 -12.134 -18.078
  320   1HE   LYS  36          1HE       LYS  36  -4.302 -12.286 -17.495
  321   2HE   LYS  36          2HE       LYS  36  -3.343 -13.747 -17.253
  322   1HZ   LYS  36          2HZ       LYS  36  -3.255 -13.336 -14.979
  323   2HZ   LYS  36          3HZ       LYS  36  -4.251 -12.000 -15.013
  324   3HZ   LYS  36          1HZ       LYS  36  -4.728 -13.547 -15.421
  325    H    GLU  37           H        GLU  37  -1.252 -14.198 -13.906
  326    HA   GLU  37           HA       GLU  37  -3.203 -14.405 -12.270
  327   1HB   GLU  37          1HB       GLU  37  -1.093 -16.136 -13.547
  328   2HB   GLU  37          2HB       GLU  37  -1.666 -16.779 -12.060
  329   1HG   GLU  37          1HG       GLU  37  -3.046 -17.571 -13.977
  330   2HG   GLU  37          2HG       GLU  37  -4.039 -16.620 -12.853
  331    H    GLU  38           H        GLU  38   0.047 -15.304 -11.136
  332    HA   GLU  38           HA       GLU  38   0.090 -15.695  -8.540
  333   1HB   GLU  38          1HB       GLU  38   2.172 -15.143  -9.659
  334   2HB   GLU  38          2HB       GLU  38   1.472 -13.702 -10.322
  335   1HG   GLU  38          1HG       GLU  38   1.859 -13.711  -7.327
  336   2HG   GLU  38          2HG       GLU  38   3.305 -13.688  -8.303
  337    H    ARG  39           H        ARG  39  -0.269 -12.338  -9.580
  338    HA   ARG  39           HA       ARG  39  -0.720 -11.357  -6.917
  339   1HB   ARG  39          1HB       ARG  39   0.345  -9.953  -8.581
  340   2HB   ARG  39          2HB       ARG  39  -0.953 -10.304  -9.719
  341   1HG   ARG  39          1HG       ARG  39  -2.505  -8.925  -8.167
  342   2HG   ARG  39          2HG       ARG  39  -1.034  -8.522  -7.259
  343   1HD   ARG  39          1HD       ARG  39  -1.793  -6.835  -8.993
  344   2HD   ARG  39          2HD       ARG  39  -0.123  -7.368  -9.180
  345    HE   ARG  39           HE       ARG  39  -2.472  -8.493 -10.737
  346   1HH1  ARG  39          2HH2      ARG  39   0.954  -8.623 -10.455
  347   2HH1  ARG  39          1HH2      ARG  39   1.303  -8.578 -12.142
  348   1HH2  ARG  39          2HH1      ARG  39  -2.137  -8.553 -12.989
  349   2HH2  ARG  39          1HH1      ARG  39  -0.486  -8.630 -13.621
  350    H    GLU  40           H        GLU  40  -2.742 -12.086  -9.628
  351    HA   GLU  40           HA       GLU  40  -5.124 -10.804  -8.719
  352   1HB   GLU  40          1HB       GLU  40  -5.241 -12.720 -10.872
  353   2HB   GLU  40          2HB       GLU  40  -5.834 -11.054 -10.809
  354   1HG   GLU  40          1HG       GLU  40  -2.947 -10.903 -11.044
  355   2HG   GLU  40          2HG       GLU  40  -3.427 -12.333 -11.961
  356    H    THR  41           H        THR  41  -4.044 -14.107  -8.987
  357    HA   THR  41           HA       THR  41  -5.628 -15.582  -7.266
  358    HB   THR  41           HB       THR  41  -2.743 -15.563  -8.032
  359    HG1  THR  41          1HG       THR  41  -4.800 -17.469  -8.217
  360   1HG2  THR  41          3HG2      THR  41  -3.756 -17.273  -5.788
  361   2HG2  THR  41          1HG2      THR  41  -2.312 -17.616  -6.785
  362   3HG2  THR  41          2HG2      THR  41  -2.373 -16.161  -5.805
  363    H    LEU  42           H        LEU  42  -2.720 -13.660  -6.372
  364    HA   LEU  42           HA       LEU  42  -2.752 -14.194  -3.690
  365   1HB   LEU  42          1HB       LEU  42  -1.148 -12.739  -5.221
  366   2HB   LEU  42          2HB       LEU  42  -2.019 -11.379  -4.522
  367    HG   LEU  42           HG       LEU  42  -0.509 -13.585  -3.068
  368   1HD1  LEU  42          2HD1      LEU  42   0.205 -10.697  -3.741
  369   2HD1  LEU  42          3HD1      LEU  42   1.156 -11.711  -2.653
  370   3HD1  LEU  42          1HD1      LEU  42   0.964 -12.148  -4.375
  371   1HD2  LEU  42          1HD2      LEU  42  -1.728 -11.031  -1.935
  372   2HD2  LEU  42          2HD2      LEU  42  -2.210 -12.698  -1.586
  373   3HD2  LEU  42          3HD2      LEU  42  -0.613 -12.130  -1.096
  374    H    VAL  43           H        VAL  43  -4.440 -11.482  -5.308
  375    HA   VAL  43           HA       VAL  43  -5.565 -10.360  -2.949
  376    HB   VAL  43           HB       VAL  43  -6.699 -10.338  -5.782
  377   1HG1  VAL  43          3HG1      VAL  43  -7.265  -8.638  -3.297
  378   2HG1  VAL  43          1HG1      VAL  43  -7.850  -8.244  -4.921
  379   3HG1  VAL  43          2HG1      VAL  43  -8.423  -9.709  -4.109
  380   1HG2  VAL  43          2HG2      VAL  43  -4.427  -9.315  -5.606
  381   2HG2  VAL  43          3HG2      VAL  43  -5.683  -8.137  -5.954
  382   3HG2  VAL  43          1HG2      VAL  43  -5.015  -8.263  -4.308
  383    H    GLU  44           H        GLU  44  -6.800 -12.950  -5.120
  384    HA   GLU  44           HA       GLU  44  -9.265 -13.375  -3.734
  385   1HB   GLU  44          1HB       GLU  44  -9.066 -14.156  -5.941
  386   2HB   GLU  44          2HB       GLU  44  -7.567 -15.038  -5.593
  387   1HG   GLU  44          1HG       GLU  44  -9.582 -16.466  -5.924
  388   2HG   GLU  44          2HG       GLU  44  -8.690 -16.744  -4.424
  389    H    GLU  45           H        GLU  45  -6.315 -15.408  -3.656
  390    HA   GLU  45           HA       GLU  45  -6.673 -17.094  -1.559
  391   1HB   GLU  45          1HB       GLU  45  -4.446 -16.025  -2.994
  392   2HB   GLU  45          2HB       GLU  45  -4.029 -15.841  -1.310
  393   1HG   GLU  45          1HG       GLU  45  -4.352 -18.271  -0.951
  394   2HG   GLU  45          2HG       GLU  45  -4.846 -18.445  -2.649
  395    H    CYS  46           H        CYS  46  -5.612 -13.717  -1.325
  396    HA   CYS  46           HA       CYS  46  -5.434 -13.697   1.534
  397   1HB   CYS  46          1HB       CYS  46  -4.426 -11.897  -0.102
  398   2HB   CYS  46          2HB       CYS  46  -6.032 -11.178  -0.053
  399    HG   CYS  46           HG       CYS  46  -6.218 -11.234   2.665
  400    H    ASN  47           H        ASN  47  -7.979 -12.562  -0.706
  401    HA   ASN  47           HA       ASN  47  -9.732 -11.438   1.259
  402   1HB   ASN  47          1HB       ASN  47 -10.061 -12.357  -1.604
  403   2HB   ASN  47          2HB       ASN  47 -11.495 -12.135  -0.620
  404   1HD2  ASN  47          2HD2      ASN  47  -9.342  -8.800  -1.713
  405   2HD2  ASN  47          1HD2      ASN  47  -8.645 -10.411  -1.818
  406    H    ARG  48           H        ARG  48  -9.425 -14.735  -0.086
  407    HA   ARG  48           HA       ARG  48 -11.536 -16.017   1.266
  408   1HB   ARG  48          1HB       ARG  48  -9.183 -16.668  -0.292
  409   2HB   ARG  48          2HB       ARG  48  -9.164 -17.656   1.143
  410   1HG   ARG  48          1HG       ARG  48 -11.462 -18.445   0.618
  411   2HG   ARG  48          2HG       ARG  48 -11.516 -17.328  -0.775
  412   1HD   ARG  48          1HD       ARG  48  -9.541 -18.463  -1.763
  413   2HD   ARG  48          2HD       ARG  48  -9.494 -19.589  -0.416
  414    HE   ARG  48           HE       ARG  48 -11.594 -20.520  -1.058
  415   1HH1  ARG  48          2HH2      ARG  48 -10.627 -18.116  -3.406
  416   2HH1  ARG  48          1HH2      ARG  48 -11.120 -18.954  -4.817
  417   1HH2  ARG  48          2HH1      ARG  48 -12.444 -21.691  -2.895
  418   2HH2  ARG  48          1HH1      ARG  48 -12.324 -20.995  -4.482
  419    H    ALA  49           H        ALA  49  -8.068 -15.724   2.216
  420    HA   ALA  49           HA       ALA  49  -8.403 -16.822   4.808
  421   1HB   ALA  49          1HB       ALA  49  -6.249 -16.629   3.662
  422   2HB   ALA  49          2HB       ALA  49  -6.294 -14.855   3.847
  423   3HB   ALA  49          3HB       ALA  49  -6.199 -15.902   5.279
  424    H    GLU  50           H        GLU  50  -9.048 -13.547   3.667
  425    HA   GLU  50           HA       GLU  50  -8.971 -12.408   6.362
  426   1HB   GLU  50          1HB       GLU  50  -8.593 -11.372   3.820
  427   2HB   GLU  50          2HB       GLU  50 -10.227 -10.870   4.201
  428   1HG   GLU  50          1HG       GLU  50  -8.716  -9.130   4.862
  429   2HG   GLU  50          2HG       GLU  50  -9.286  -9.892   6.358
  430    H    CYS  51           H        CYS  51 -11.434 -13.258   3.919
  431    HA   CYS  51           HA       CYS  51 -13.685 -12.382   5.376
  432   1HB   CYS  51          1HB       CYS  51 -15.016 -13.349   3.783
  433   2HB   CYS  51          2HB       CYS  51 -13.521 -13.113   2.883
  434    HG   CYS  51           HG       CYS  51 -12.731 -15.567   3.139
  435    H    ILE  52           H        ILE  52 -11.824 -15.373   5.596
  436    HA   ILE  52           HA       ILE  52 -13.700 -16.896   7.115
  437    HB   ILE  52           HB       ILE  52 -10.696 -16.919   6.679
  438   1HG1  ILE  52          1HG1      ILE  52 -12.876 -18.952   6.021
  439   2HG1  ILE  52          2HG1      ILE  52 -12.384 -17.668   4.922
  440   1HG2  ILE  52          1HG2      ILE  52 -12.210 -18.869   8.457
  441   2HG2  ILE  52          2HG2      ILE  52 -10.526 -19.045   7.913
  442   3HG2  ILE  52          3HG2      ILE  52 -10.953 -17.720   8.981
  443   1HD1  ILE  52          1HD1      ILE  52 -10.041 -18.567   4.956
  444   2HD1  ILE  52          2HD1      ILE  52 -10.634 -19.962   5.887
  445   3HD1  ILE  52          3HD1      ILE  52 -11.245 -19.662   4.257
  446    H    GLN  53           H        GLN  53 -11.223 -14.496   7.945
  447    HA   GLN  53           HA       GLN  53 -11.373 -14.812  10.808
  448   1HB   GLN  53          1HB       GLN  53 -10.722 -12.287   9.241
  449   2HB   GLN  53          2HB       GLN  53 -10.399 -12.552  10.944
  450   1HG   GLN  53          1HG       GLN  53  -8.695 -14.141  10.535
  451   2HG   GLN  53          2HG       GLN  53  -9.203 -14.394   8.865
  452   1HE2  GLN  53          2HE2      GLN  53  -6.828 -12.105   7.735
  453   2HE2  GLN  53          1HE2      GLN  53  -7.432 -13.754   7.708
  454    H    ARG  54           H        ARG  54 -13.643 -13.411   8.528
  455    HA   ARG  54           HA       ARG  54 -15.148 -12.139  10.781
  456   1HB   ARG  54          1HB       ARG  54 -15.304 -11.473   7.836
  457   2HB   ARG  54          2HB       ARG  54 -16.115 -10.653   9.168
  458   1HG   ARG  54          1HG       ARG  54 -13.170 -10.617   8.428
  459   2HG   ARG  54          2HG       ARG  54 -14.306  -9.272   8.448
  460   1HD   ARG  54          1HD       ARG  54 -13.003 -10.686  10.794
  461   2HD   ARG  54          2HD       ARG  54 -12.833  -9.023  10.324
  462    HE   ARG  54           HE       ARG  54 -15.193  -8.619  10.950
  463   1HH1  ARG  54          2HH2      ARG  54 -13.804 -11.612  12.352
  464   2HH1  ARG  54          1HH2      ARG  54 -14.605 -11.415  13.865
  465   1HH2  ARG  54          2HH1      ARG  54 -16.212  -8.365  13.024
  466   2HH2  ARG  54          1HH1      ARG  54 -16.159  -9.678  14.145
  467    H    GLY  55           H        GLY  55 -15.120 -14.981   9.059
  468   1HA   GLY  55          1HA       GLY  55 -16.737 -16.448   8.395
  469   2HA   GLY  55          2HA       GLY  55 -17.771 -15.739   9.646
  470    H    VAL  56           H        VAL  56 -16.387 -14.136   6.765
  471    HA   VAL  56           HA       VAL  56 -19.113 -13.282   5.939
  472    HB   VAL  56           HB       VAL  56 -16.309 -12.414   5.265
  473   1HG1  VAL  56          2HG1      VAL  56 -18.778 -11.720   3.604
  474   2HG1  VAL  56          3HG1      VAL  56 -17.182 -10.948   3.488
  475   3HG1  VAL  56          1HG1      VAL  56 -17.369 -12.646   3.044
  476   1HG2  VAL  56          3HG2      VAL  56 -17.628 -11.365   7.109
  477   2HG2  VAL  56          1HG2      VAL  56 -17.201 -10.230   5.803
  478   3HG2  VAL  56          2HG2      VAL  56 -18.850 -10.884   5.911
  479    H    SER  57           H        SER  57 -19.932 -13.794   3.881
  480    HA   SER  57           HA       SER  57 -19.761 -16.505   3.248
  481   1HB   SER  57          1HB       SER  57 -21.220 -14.163   2.437
  482   2HB   SER  57          2HB       SER  57 -20.756 -15.053   0.981
  483    HG   SER  57           HG       SER  57 -22.738 -15.828   1.874
  484    HA   PRO  58           HA       PRO  58 -16.030 -16.455   0.721
  485   1HB   PRO  58          1HB       PRO  58 -16.474 -18.600  -0.975
  486   2HB   PRO  58          2HB       PRO  58 -15.964 -18.748   0.729
  487   1HG   PRO  58          1HG       PRO  58 -18.767 -18.985  -0.386
  488   2HG   PRO  58          2HG       PRO  58 -17.964 -20.040   0.808
  489   1HD   PRO  58          1HD       PRO  58 -19.684 -18.072   1.561
  490   2HD   PRO  58          2HD       PRO  58 -18.229 -18.430   2.539
  491    H    SER  59           H        SER  59 -19.131 -16.971  -0.974
  492    HA   SER  59           HA       SER  59 -18.413 -15.658  -3.421
  493   1HB   SER  59          1HB       SER  59 -21.062 -15.702  -3.510
  494   2HB   SER  59          2HB       SER  59 -20.133 -17.206  -3.599
  495    HG   SER  59           HG       SER  59 -21.832 -17.307  -2.019
  496    H    GLN  60           H        GLN  60 -18.394 -14.191  -0.507
  497    HA   GLN  60           HA       GLN  60 -18.693 -11.666  -1.833
  498   1HB   GLN  60          1HB       GLN  60 -21.029 -12.306  -0.699
  499   2HB   GLN  60          2HB       GLN  60 -20.174 -12.043   0.810
  500   1HG   GLN  60          1HG       GLN  60 -21.387 -10.043   0.196
  501   2HG   GLN  60          2HG       GLN  60 -19.664  -9.693   0.089
  502   1HE2  GLN  60          2HE2      GLN  60 -20.951 -10.238  -3.720
  503   2HE2  GLN  60          1HE2      GLN  60 -20.709 -11.601  -2.662
  504    H    ALA  61           H        ALA  61 -16.499 -13.330  -0.945
  505    HA   ALA  61           HA       ALA  61 -15.598 -12.644   1.627
  506   1HB   ALA  61          1HB       ALA  61 -13.993 -13.132  -0.926
  507   2HB   ALA  61          2HB       ALA  61 -13.297 -13.061   0.693
  508   3HB   ALA  61          3HB       ALA  61 -14.448 -14.343   0.297
  509    H    GLN  62           H        GLN  62 -15.696 -10.673  -1.232
  510    HA   GLN  62           HA       GLN  62 -13.833  -8.777  -0.242
  511   1HB   GLN  62          1HB       GLN  62 -13.926  -7.911  -2.302
  512   2HB   GLN  62          2HB       GLN  62 -14.912  -9.292  -2.694
  513   1HG   GLN  62          1HG       GLN  62 -15.818  -6.478  -2.043
  514   2HG   GLN  62          2HG       GLN  62 -15.900  -7.316  -3.599
  515   1HE2  GLN  62          2HE2      GLN  62 -19.236  -7.344  -1.848
  516   2HE2  GLN  62          1HE2      GLN  62 -18.098  -6.050  -2.177
  517    H    GLY  63           H        GLY  63 -17.052  -9.411   0.621
  518   1HA   GLY  63          1HA       GLY  63 -18.186  -7.037   1.502
  519   2HA   GLY  63          2HA       GLY  63 -18.372  -8.622   2.269
  520    H    LEU  64           H        LEU  64 -15.368  -8.675   2.767
  521    HA   LEU  64           HA       LEU  64 -14.706  -7.736   5.212
  522   1HB   LEU  64          1HB       LEU  64 -13.260  -7.462   2.563
  523   2HB   LEU  64          2HB       LEU  64 -12.447  -7.099   4.083
  524    HG   LEU  64           HG       LEU  64 -13.846  -9.766   3.782
  525   1HD1  LEU  64          1HD1      LEU  64 -12.277  -9.311   1.774
  526   2HD1  LEU  64          2HD1      LEU  64 -10.958  -9.153   2.927
  527   3HD1  LEU  64          3HD1      LEU  64 -11.844 -10.702   2.758
  528   1HD2  LEU  64          1HD2      LEU  64 -13.044  -9.013   5.985
  529   2HD2  LEU  64          2HD2      LEU  64 -12.264 -10.470   5.388
  530   3HD2  LEU  64          3HD2      LEU  64 -11.388  -8.929   5.317
  531    H    GLY  65           H        GLY  65 -15.021  -5.688   2.341
  532   1HA   GLY  65          1HA       GLY  65 -15.339  -3.451   2.053
  533   2HA   GLY  65          2HA       GLY  65 -16.288  -3.612   3.536
  534    H    SER  66           H        SER  66 -15.172  -3.241   5.588
  535    HA   SER  66           HA       SER  66 -13.898  -0.842   5.956
  536   1HB   SER  66          1HB       SER  66 -14.482  -3.352   7.470
  537   2HB   SER  66          2HB       SER  66 -13.053  -2.505   7.990
  538    HG   SER  66           HG       SER  66 -14.318  -1.203   8.968
  539    H    ASN  67           H        ASN  67 -12.521  -4.125   5.815
  540    HA   ASN  67           HA       ASN  67  -9.805  -3.018   5.312
  541   1HB   ASN  67          1HB       ASN  67  -8.859  -4.624   6.603
  542   2HB   ASN  67          2HB       ASN  67 -10.227  -4.114   7.583
  543   1HD2  ASN  67          2HD2      ASN  67 -11.820  -7.447   6.688
  544   2HD2  ASN  67          1HD2      ASN  67 -12.306  -5.832   6.257
  545    H    LEU  68           H        LEU  68 -11.690  -3.426   3.205
  546    HA   LEU  68           HA       LEU  68 -11.299  -5.990   2.035
  547   1HB   LEU  68          1HB       LEU  68 -13.112  -4.685   1.387
  548   2HB   LEU  68          2HB       LEU  68 -12.096  -3.368   0.763
  549    HG   LEU  68           HG       LEU  68 -11.300  -4.824  -1.023
  550   1HD1  LEU  68          2HD1      LEU  68 -12.820  -7.016   0.341
  551   2HD1  LEU  68          3HD1      LEU  68 -12.204  -7.116  -1.333
  552   3HD1  LEU  68          1HD1      LEU  68 -11.093  -6.983  -0.005
  553   1HD2  LEU  68          2HD2      LEU  68 -14.339  -5.075  -0.688
  554   2HD2  LEU  68          3HD2      LEU  68 -13.504  -3.712  -1.432
  555   3HD2  LEU  68          1HD2      LEU  68 -13.474  -5.307  -2.207
  556    H    VAL  69           H        VAL  69  -9.533  -6.837   1.433
  557    HA   VAL  69           HA       VAL  69  -7.106  -5.512   0.494
  558    HB   VAL  69           HB       VAL  69  -8.059  -8.377   0.286
  559   1HG1  VAL  69          3HG1      VAL  69  -5.304  -7.129  -0.090
  560   2HG1  VAL  69          1HG1      VAL  69  -5.671  -8.871  -0.120
  561   3HG1  VAL  69          2HG1      VAL  69  -6.292  -7.818  -1.384
  562   1HG2  VAL  69          2HG2      VAL  69  -7.808  -7.645   2.659
  563   2HG2  VAL  69          3HG2      VAL  69  -6.555  -8.790   2.199
  564   3HG2  VAL  69          1HG2      VAL  69  -6.170  -7.067   2.297
  565    H    THR  70           H        THR  70  -7.856  -4.111  -1.026
  566    HA   THR  70           HA       THR  70  -8.948  -5.193  -3.577
  567    HB   THR  70           HB       THR  70  -8.794  -2.869  -4.326
  568    HG1  THR  70          1HG       THR  70  -8.173  -2.277  -1.600
  569   1HG2  THR  70          2HG2      THR  70 -10.859  -3.727  -3.132
  570   2HG2  THR  70          3HG2      THR  70 -10.221  -3.007  -1.632
  571   3HG2  THR  70          1HG2      THR  70 -10.632  -1.969  -3.004
  572    H    GLU  71           H        GLU  71  -7.686  -5.008  -5.507
  573    HA   GLU  71           HA       GLU  71  -5.163  -5.944  -5.655
  574   1HB   GLU  71          1HB       GLU  71  -6.345  -5.852  -7.599
  575   2HB   GLU  71          2HB       GLU  71  -6.835  -4.173  -7.426
  576   1HG   GLU  71          1HG       GLU  71  -3.958  -4.983  -8.001
  577   2HG   GLU  71          2HG       GLU  71  -5.166  -4.777  -9.264
  578    H    VAL  72           H        VAL  72  -5.661  -2.389  -5.868
  579    HA   VAL  72           HA       VAL  72  -3.145  -1.655  -5.762
  580    HB   VAL  72           HB       VAL  72  -5.118  -0.158  -5.927
  581   1HG1  VAL  72          1HG1      VAL  72  -6.235  -0.800  -3.815
  582   2HG1  VAL  72          2HG1      VAL  72  -4.933  -0.038  -2.872
  583   3HG1  VAL  72          3HG1      VAL  72  -5.962   0.951  -3.909
  584   1HG2  VAL  72          2HG2      VAL  72  -2.793   0.708  -5.868
  585   2HG2  VAL  72          3HG2      VAL  72  -3.981   1.841  -5.203
  586   3HG2  VAL  72          1HG2      VAL  72  -2.937   0.927  -4.109
  587    H    ARG  73           H        ARG  73  -4.685  -3.057  -2.933
  588    HA   ARG  73           HA       ARG  73  -2.711  -2.152  -0.987
  589   1HB   ARG  73          1HB       ARG  73  -4.499  -4.616  -0.908
  590   2HB   ARG  73          2HB       ARG  73  -3.624  -3.904   0.435
  591   1HG   ARG  73          1HG       ARG  73  -5.890  -2.578  -1.132
  592   2HG   ARG  73          2HG       ARG  73  -6.048  -3.316   0.451
  593   1HD   ARG  73          1HD       ARG  73  -4.371  -0.893  -0.260
  594   2HD   ARG  73          2HD       ARG  73  -5.902  -0.886   0.647
  595    HE   ARG  73           HE       ARG  73  -4.229  -2.547   2.064
  596   1HH1  ARG  73          2HH2      ARG  73  -4.533   0.947   1.519
  597   2HH1  ARG  73          1HH2      ARG  73  -3.028   1.328   2.338
  598   1HH2  ARG  73          2HH1      ARG  73  -2.544  -2.009   3.460
  599   2HH2  ARG  73          1HH1      ARG  73  -2.378  -0.394   4.019
  600    H    VAL  74           H        VAL  74  -3.166  -5.090  -3.041
  601    HA   VAL  74           HA       VAL  74  -0.832  -6.308  -1.898
  602    HB   VAL  74           HB       VAL  74  -2.896  -7.416  -3.086
  603   1HG1  VAL  74          3HG1      VAL  74  -0.955  -7.216  -5.433
  604   2HG1  VAL  74          1HG1      VAL  74  -2.379  -8.261  -5.330
  605   3HG1  VAL  74          2HG1      VAL  74  -2.587  -6.519  -5.390
  606   1HG2  VAL  74          3HG2      VAL  74  -1.068  -8.602  -1.954
  607   2HG2  VAL  74          1HG2      VAL  74  -1.559  -9.389  -3.461
  608   3HG2  VAL  74          2HG2      VAL  74  -0.057  -8.433  -3.411
  609    H    TYR  75           H        TYR  75  -1.578  -4.510  -4.855
  610    HA   TYR  75           HA       TYR  75   0.914  -4.407  -6.104
  611   1HB   TYR  75          1HB       TYR  75  -1.401  -3.379  -6.739
  612   2HB   TYR  75          2HB       TYR  75  -0.894  -1.985  -5.794
  613    HD1  TYR  75          2HD       TYR  75  -0.050  -4.150  -8.705
  614    HD2  TYR  75          1HD       TYR  75   0.470  -0.308  -6.823
  615    HE1  TYR  75          2HE       TYR  75   0.859  -3.245 -10.814
  616    HE2  TYR  75          1HE       TYR  75   1.326   0.611  -8.968
  617    HH   TYR  75           HH       TYR  75   1.603  -1.383 -11.903
  618    H    ASN  76           H        ASN  76  -0.390  -2.346  -3.480
  619    HA   ASN  76           HA       ASN  76   1.895  -0.776  -3.016
  620   1HB   ASN  76          1HB       ASN  76  -0.500  -1.448  -1.361
  621   2HB   ASN  76          2HB       ASN  76   0.952  -1.071  -0.453
  622   1HD2  ASN  76          2HD2      ASN  76  -1.027   1.876  -2.477
  623   2HD2  ASN  76          1HD2      ASN  76  -1.392   0.161  -2.754
  624    H    TRP  77           H        TRP  77   1.047  -3.935  -1.347
  625    HA   TRP  77           HA       TRP  77   3.321  -3.685   0.306
  626   1HB   TRP  77          1HB       TRP  77   2.692  -5.522   1.333
  627   2HB   TRP  77          2HB       TRP  77   1.248  -5.439   0.334
  628    HD1  TRP  77           HD       TRP  77   1.111  -7.139  -1.638
  629    HE1  TRP  77          1HE       TRP  77   2.382  -9.284  -2.336
  630    HE3  TRP  77          3HE       TRP  77   4.794  -6.997   1.854
  631    HZ2  TRP  77          2HZ       TRP  77   4.544 -10.867  -1.268
  632    HZ3  TRP  77          3HZ       TRP  77   6.227  -8.980   2.207
  633    HH2  TRP  77           HH       TRP  77   6.167 -10.886   0.624
  634    H    PHE  78           H        PHE  78   3.070  -5.518  -2.821
  635    HA   PHE  78           HA       PHE  78   5.820  -6.331  -2.785
  636   1HB   PHE  78          1HB       PHE  78   3.845  -5.838  -5.031
  637   2HB   PHE  78          2HB       PHE  78   5.523  -6.258  -5.352
  638    HD1  PHE  78          2HD       PHE  78   6.525  -8.294  -4.022
  639    HD2  PHE  78          1HD       PHE  78   2.389  -7.748  -5.119
  640    HE1  PHE  78          2HE       PHE  78   6.161 -10.743  -3.959
  641    HE2  PHE  78          1HE       PHE  78   2.106 -10.203  -5.123
  642    HZ   PHE  78           HZ       PHE  78   3.890 -11.673  -4.193
  643    H    ALA  79           H        ALA  79   4.240  -3.327  -3.992
  644    HA   ALA  79           HA       ALA  79   6.718  -2.062  -4.820
  645   1HB   ALA  79          2HB       ALA  79   4.508  -1.494  -5.764
  646   2HB   ALA  79          3HB       ALA  79   4.006  -0.849  -4.185
  647   3HB   ALA  79          1HB       ALA  79   5.327  -0.080  -5.074
  648    H    ASN  80           H        ASN  80   5.523  -2.716  -1.664
  649    HA   ASN  80           HA       ASN  80   7.060  -0.525  -0.373
  650   1HB   ASN  80          1HB       ASN  80   5.745  -3.031   0.794
  651   2HB   ASN  80          2HB       ASN  80   6.923  -2.061   1.630
  652   1HD2  ASN  80          2HD2      ASN  80   3.489  -0.004   0.796
  653   2HD2  ASN  80          1HD2      ASN  80   4.124  -1.108  -0.416
  654    H    ARG  81           H        ARG  81   7.158  -4.095  -0.552
  655    HA   ARG  81           HA       ARG  81   9.660  -4.534   0.399
  656   1HB   ARG  81          1HB       ARG  81   8.231  -5.971  -1.883
  657   2HB   ARG  81          2HB       ARG  81   9.706  -6.567  -1.147
  658   1HG   ARG  81          1HG       ARG  81   7.038  -6.119   0.290
  659   2HG   ARG  81          2HG       ARG  81   7.694  -7.671  -0.220
  660   1HD   ARG  81          1HD       ARG  81   8.728  -5.805   1.924
  661   2HD   ARG  81          2HD       ARG  81   8.133  -7.439   2.140
  662    HE   ARG  81           HE       ARG  81  10.084  -8.215   0.717
  663   1HH1  ARG  81          2HH2      ARG  81  10.429  -5.485   2.987
  664   2HH1  ARG  81          1HH2      ARG  81  12.089  -5.204   2.613
  665   1HH2  ARG  81          2HH1      ARG  81  12.294  -8.037   0.415
  666   2HH2  ARG  81          1HH1      ARG  81  13.234  -6.822   1.228
  667    H    ARG  82           H        ARG  82   9.035  -3.916  -3.099
  668    HA   ARG  82           HA       ARG  82  11.882  -4.032  -3.647
  669   1HB   ARG  82          1HB       ARG  82  11.467  -3.420  -5.813
  670   2HB   ARG  82          2HB       ARG  82  10.353  -4.683  -5.318
  671   1HG   ARG  82          1HG       ARG  82   8.484  -3.338  -5.367
  672   2HG   ARG  82          2HG       ARG  82   9.370  -1.817  -5.142
  673   1HD   ARG  82          1HD       ARG  82   9.487  -3.575  -7.618
  674   2HD   ARG  82          2HD       ARG  82   8.494  -2.092  -7.426
  675    HE   ARG  82           HE       ARG  82  11.352  -1.748  -6.866
  676   1HH1  ARG  82          2HH2      ARG  82   8.952  -1.542  -9.454
  677   2HH1  ARG  82          1HH2      ARG  82   9.913  -0.460 -10.422
  678   1HH2  ARG  82          2HH1      ARG  82  12.642  -0.624  -8.095
  679   2HH2  ARG  82          1HH1      ARG  82  12.096   0.264  -9.509
  680    H    LYS  83           H        LYS  83   9.852  -1.428  -2.461
  681    HA   LYS  83           HA       LYS  83  11.737   0.659  -3.262
  682   1HB   LYS  83          1HB       LYS  83   9.232   0.890  -3.115
  683   2HB   LYS  83          2HB       LYS  83   9.388   0.961  -1.366
  684   1HG   LYS  83          1HG       LYS  83  10.813   2.801  -3.382
  685   2HG   LYS  83          2HG       LYS  83   9.227   3.151  -2.724
  686   1HD   LYS  83          1HD       LYS  83  11.802   2.995  -1.088
  687   2HD   LYS  83          2HD       LYS  83  10.961   4.434  -1.622
  688   1HE   LYS  83          1HE       LYS  83   8.928   3.701  -0.326
  689   2HE   LYS  83          2HE       LYS  83   9.864   2.339   0.322
  690   1HZ   LYS  83          1HZ       LYS  83  10.654   5.147   0.677
  691   2HZ   LYS  83          2HZ       LYS  83   9.789   4.291   1.770
  692   3HZ   LYS  83          3HZ       LYS  83  11.300   3.764   1.395
  693    H    GLU  84           H        GLU  84  10.914  -1.331  -0.464
  694    HA   GLU  84           HA       GLU  84  12.476  -0.207   1.553
  695   1HB   GLU  84          1HB       GLU  84  10.872  -2.569   1.009
  696   2HB   GLU  84          2HB       GLU  84  12.424  -3.106   1.544
  697   1HG   GLU  84          1HG       GLU  84  11.663  -2.861   3.661
  698   2HG   GLU  84          2HG       GLU  84  11.723  -1.116   3.434
  699    H    GLU  85           H        GLU  85  13.237  -2.235  -1.212
  700    HA   GLU  85           HA       GLU  85  16.145  -2.341  -0.730
  701   1HB   GLU  85          1HB       GLU  85  15.094  -4.101  -1.935
  702   2HB   GLU  85          2HB       GLU  85  14.512  -2.968  -3.168
  703   1HG   GLU  85          1HG       GLU  85  16.516  -4.099  -3.902
  704   2HG   GLU  85          2HG       GLU  85  16.818  -2.348  -3.689
  705    H    ALA  86           H        ALA  86  14.022  -0.568  -3.021
  706    HA   ALA  86           HA       ALA  86  16.040   0.637  -4.416
  707   1HB   ALA  86          3HB       ALA  86  13.566   0.566  -5.006
  708   2HB   ALA  86          1HB       ALA  86  13.364   1.995  -3.963
  709   3HB   ALA  86          2HB       ALA  86  14.401   2.073  -5.391
  710    H    PHE  87           H        PHE  87  14.539   1.824  -1.493
  711    HA   PHE  87           HA       PHE  87  15.506   4.554  -1.598
  712   1HB   PHE  87          1HB       PHE  87  14.049   2.861   0.282
  713   2HB   PHE  87          2HB       PHE  87  15.403   3.601   1.130
  714    HD1  PHE  87          1HD       PHE  87  13.772   5.808  -1.369
  715    HD2  PHE  87          2HD       PHE  87  13.709   4.295   2.680
  716    HE1  PHE  87          1HE       PHE  87  12.821   7.953  -0.547
  717    HE2  PHE  87          2HE       PHE  87  12.324   6.222   3.360
  718    HZ   PHE  87           HZ       PHE  87  12.117   8.178   1.791
  719    H    ARG  88           H        ARG  88  16.616   1.831   0.382
  720    HA   ARG  88           HA       ARG  88  19.093   2.960   1.106
  721   1HB   ARG  88          1HB       ARG  88  17.743   1.265   2.263
  722   2HB   ARG  88          2HB       ARG  88  18.162   0.053   1.065
  723   1HG   ARG  88          1HG       ARG  88  20.086   1.537   2.939
  724   2HG   ARG  88          2HG       ARG  88  19.362  -0.005   3.304
  725   1HD   ARG  88          1HD       ARG  88  21.554   0.677   1.370
  726   2HD   ARG  88          2HD       ARG  88  21.522  -0.606   2.553
  727    HE   ARG  88           HE       ARG  88  20.844  -0.758  -0.210
  728   1HH1  ARG  88          2HH2      ARG  88  19.584  -1.917   2.854
  729   2HH1  ARG  88          1HH2      ARG  88  18.857  -3.359   2.185
  730   1HH2  ARG  88          2HH1      ARG  88  19.824  -2.679  -1.142
  731   2HH2  ARG  88          1HH1      ARG  88  18.940  -3.702  -0.180
  732    H    HIS  89           H        HIS  89  18.171   0.993  -1.626
  733    HA   HIS  89           HA       HIS  89  20.731   0.233  -2.581
  734   1HB   HIS  89          1HB       HIS  89  18.368  -0.506  -3.290
  735   2HB   HIS  89          2HB       HIS  89  18.323   0.956  -4.285
  736    HD1  HIS  89          1HD       HIS  89  19.600  -2.559  -4.152
  737    HD2  HIS  89          2HD       HIS  89  19.969   0.925  -6.487
  738    HE1  HIS  89          1HE       HIS  89  20.517  -3.291  -6.436
  739    H    LYS  90           H        LYS  90  19.089   3.339  -2.510
  740    HA   LYS  90           HA       LYS  90  20.908   4.460  -4.590
  741   1HB   LYS  90          1HB       LYS  90  18.336   4.686  -4.521
  742   2HB   LYS  90          2HB       LYS  90  18.587   5.891  -3.266
  743   1HG   LYS  90          1HG       LYS  90  19.794   5.937  -6.087
  744   2HG   LYS  90          2HG       LYS  90  18.278   6.699  -5.598
  745   1HD   LYS  90          1HD       LYS  90  19.751   7.934  -3.785
  746   2HD   LYS  90          2HD       LYS  90  21.124   7.415  -4.763
  747   1HE   LYS  90          1HE       LYS  90  20.443   9.697  -5.328
  748   2HE   LYS  90          2HE       LYS  90  20.218   8.635  -6.729
  749   1HZ   LYS  90          3HZ       LYS  90  18.020   9.277  -4.863
  750   2HZ   LYS  90          1HZ       LYS  90  18.289  10.215  -6.159
  751   3HZ   LYS  90          2HZ       LYS  90  17.872   8.653  -6.358
  752    H    LEU  91           H        LEU  91  19.830   4.969  -1.183
  753    HA   LEU  91           HA       LEU  91  21.619   7.064  -0.711
  754   1HB   LEU  91          1HB       LEU  91  19.683   5.461   0.836
  755   2HB   LEU  91          2HB       LEU  91  20.885   6.393   1.749
  756    HG   LEU  91           HG       LEU  91  20.111   8.460   0.975
  757   1HD1  LEU  91          3HD1      LEU  91  18.522   6.962  -1.134
  758   2HD1  LEU  91          1HD1      LEU  91  18.279   8.684  -0.748
  759   3HD1  LEU  91          2HD1      LEU  91  19.820   8.143  -1.412
  760   1HD2  LEU  91          1HD2      LEU  91  18.642   7.300   2.615
  761   2HD2  LEU  91          2HD2      LEU  91  17.726   8.409   1.573
  762   3HD2  LEU  91          3HD2      LEU  91  17.672   6.653   1.276
  763    H    ALA  92           H        ALA  92  21.580   3.676   0.416
  764    HA   ALA  92           HA       ALA  92  23.155   2.275   1.140
  765   1HB   ALA  92          3HB       ALA  92  24.040   2.676  -1.140
  766   2HB   ALA  92          1HB       ALA  92  25.110   3.936  -0.489
  767   3HB   ALA  92          2HB       ALA  92  25.305   2.252   0.029
  768    H    MET  93           H        MET  93  22.583   4.639   2.803
  769    HA   MET  93           HA       MET  93  24.809   4.212   4.699
  770   1HB   MET  93          1HB       MET  93  23.913   7.035   3.933
  771   2HB   MET  93          2HB       MET  93  25.077   6.597   5.191
  772   1HG   MET  93          1HG       MET  93  26.556   5.619   3.382
  773   2HG   MET  93          2HG       MET  93  25.415   6.251   2.193
  774   1HE   MET  93          1HE       MET  93  28.155   7.090   4.814
  775   2HE   MET  93          2HE       MET  93  28.180   8.869   4.783
  776   3HE   MET  93          3HE       MET  93  26.807   8.021   5.522
  777    H    ASP  94           H        ASP  94  21.827   3.736   4.175
  778    HA   ASP  94           HA       ASP  94  20.587   4.971   6.571
  779   1HB   ASP  94          1HB       ASP  94  18.746   5.450   5.044
  780   2HB   ASP  94          2HB       ASP  94  20.235   6.163   4.404
  781    H    THR  95           H        THR  95  21.601   2.385   6.749
  782    HA   THR  95           HA       THR  95  19.821   0.353   6.125
  783    HB   THR  95           HB       THR  95  21.411   0.435   8.725
  784    HG1  THR  95          1HG       THR  95  23.269   0.082   7.433
  785   1HG2  THR  95          3HG2      THR  95  20.240  -1.683   8.049
  786   2HG2  THR  95          1HG2      THR  95  21.166  -1.690   6.533
  787   3HG2  THR  95          2HG2      THR  95  22.005  -1.860   8.085
  788    H    TYR  96           H        TYR  96  19.854   2.623   8.827
  789    HA   TYR  96           HA       TYR  96  17.378   1.468  10.019
  790   1HB   TYR  96          1HB       TYR  96  17.813   2.633  11.963
  791   2HB   TYR  96          2HB       TYR  96  19.368   1.963  11.505
  792    HD1  TYR  96          1HD       TYR  96  21.052   3.559  10.256
  793    HD2  TYR  96          2HD       TYR  96  17.599   4.934  12.455
  794    HE1  TYR  96          1HE       TYR  96  21.942   5.857  10.219
  795    HE2  TYR  96          2HE       TYR  96  18.525   7.226  12.456
  796    HH   TYR  96           HH       TYR  96  21.589   8.046  10.825
  797    H    LYS  97           H        LYS  97  15.997   3.450  10.867
  798    HA   LYS  97           HA       LYS  97  14.535   5.009  10.366
  799   1HB   LYS  97          1HB       LYS  97  16.603   6.419  10.458
  800   2HB   LYS  97          2HB       LYS  97  16.777   6.248   8.721
  801   1HG   LYS  97          1HG       LYS  97  16.067   8.381   9.089
  802   2HG   LYS  97          2HG       LYS  97  14.677   7.601   8.401
  803   1HD   LYS  97          1HD       LYS  97  15.105   8.215  11.378
  804   2HD   LYS  97          2HD       LYS  97  14.183   9.192  10.221
  805   1HE   LYS  97          1HE       LYS  97  12.700   7.102   9.839
  806   2HE   LYS  97          2HE       LYS  97  13.460   6.458  11.318
  807   1HZ   LYS  97          3HZ       LYS  97  11.940   8.947  11.252
  808   2HZ   LYS  97          1HZ       LYS  97  11.445   7.484  11.804
  809   3HZ   LYS  97          2HZ       LYS  97  12.669   8.242  12.563
  810    H    LEU  98           H        LEU  98  14.524   2.689   8.832
  811    HA   LEU  98           HA       LEU  98  13.274   1.719   7.298
  812   1HB   LEU  98          1HB       LEU  98  11.514   3.399   7.439
  813   2HB   LEU  98          2HB       LEU  98  12.384   4.457   6.314
  814    HG   LEU  98           HG       LEU  98  12.247   2.778   4.527
  815   1HD1  LEU  98          3HD1      LEU  98  10.517   1.270   6.552
  816   2HD1  LEU  98          1HD1      LEU  98  10.589   0.921   4.807
  817   3HD1  LEU  98          2HD1      LEU  98  12.014   0.701   5.807
  818   1HD2  LEU  98          1HD2      LEU  98   9.630   3.653   5.767
  819   2HD2  LEU  98          2HD2      LEU  98  10.663   4.540   4.616
  820   3HD2  LEU  98          3HD2      LEU  98   9.845   3.051   4.102
  821    H    ASN  99           H        ASN  99  14.886   0.727   6.266
  822    HA   ASN  99           HA       ASN  99  16.346   1.894   4.022
  823   1HB   ASN  99          2HB       ASN  99  16.650  -0.493   3.329
  824   2HB   ASN  99          3HB       ASN  99  17.305  -0.088   4.916
  825   1HD2  ASN  99          2HD2      ASN  99  13.904  -2.485   4.965
  826   2HD2  ASN  99          1HD2      ASN  99  13.852  -0.947   4.087
   
  No H/Q in entry =         826
  Start of MODEL    2
    1   1H    MET   0          2H        MET   0 -22.733   8.033  -4.721
    2   2H    MET   0          3H        MET   0 -21.778   8.579  -5.930
    3   3H    MET   0          1H        MET   0 -22.704   7.215  -6.161
    4    HA   MET   0           HA       MET   0 -21.420   5.888  -4.945
    5   1HB   MET   0          2HB       MET   0 -20.431   6.676  -7.138
    6   2HB   MET   0          3HB       MET   0 -19.532   7.893  -6.224
    7   1HG   MET   0          2HG       MET   0 -17.940   6.329  -6.397
    8   2HG   MET   0          3HG       MET   0 -18.643   5.773  -4.884
    9   1HE   MET   0          1HE       MET   0 -19.934   3.795  -4.524
   10   2HE   MET   0          2HE       MET   0 -21.197   3.874  -5.798
   11   3HE   MET   0          3HE       MET   0 -20.141   2.453  -5.662
   12    H    ALA   1           H        ALA   1 -21.505   5.933  -2.752
   13    HA   ALA   1           HA       ALA   1 -20.580   5.954  -0.697
   14   1HB   ALA   1          3HB       ALA   1 -18.383   5.785  -1.913
   15   2HB   ALA   1          1HB       ALA   1 -18.225   7.551  -1.731
   16   3HB   ALA   1          2HB       ALA   1 -18.312   6.527  -0.309
   17    H    ARG   2           H        ARG   2 -22.601   7.467  -0.816
   18    HA   ARG   2           HA       ARG   2 -23.720   9.308  -0.058
   19   1HB   ARG   2          1HB       ARG   2 -21.949   9.113   1.823
   20   2HB   ARG   2          2HB       ARG   2 -21.151  10.492   1.075
   21   1HG   ARG   2          1HG       ARG   2 -24.082  10.535   1.955
   22   2HG   ARG   2          2HG       ARG   2 -22.749  10.817   3.062
   23   1HD   ARG   2          1HD       ARG   2 -22.158  12.528   0.890
   24   2HD   ARG   2          2HD       ARG   2 -23.920  12.621   1.091
   25    HE   ARG   2           HE       ARG   2 -23.612  13.988   2.813
   26   1HH1  ARG   2          2HH2      ARG   2 -20.767  11.915   2.606
   27   2HH1  ARG   2          1HH2      ARG   2 -19.748  12.970   3.542
   28   1HH2  ARG   2          2HH1      ARG   2 -22.332  15.341   4.163
   29   2HH2  ARG   2          1HH1      ARG   2 -20.677  14.938   4.512
   30    H    ILE   3           H        ILE   3 -23.875  11.779  -0.716
   31    HA   ILE   3           HA       ILE   3 -23.006  11.916  -3.455
   32    HB   ILE   3           HB       ILE   3 -23.980  14.066  -3.571
   33   1HG1  ILE   3          1HG1      ILE   3 -25.427  14.627  -1.342
   34   2HG1  ILE   3          2HG1      ILE   3 -23.951  14.085  -0.578
   35   1HG2  ILE   3          2HG2      ILE   3 -25.352  12.056  -3.770
   36   2HG2  ILE   3          3HG2      ILE   3 -25.755  12.157  -2.038
   37   3HG2  ILE   3          1HG2      ILE   3 -26.268  13.434  -3.155
   38   1HD1  ILE   3          1HD1      ILE   3 -22.702  15.779  -2.034
   39   2HD1  ILE   3          2HD1      ILE   3 -24.273  16.300  -2.658
   40   3HD1  ILE   3          3HD1      ILE   3 -23.887  16.498  -0.942
   41    H    ASP   4           H        ASP   4 -22.040  13.879  -0.649
   42    HA   ASP   4           HA       ASP   4 -19.937  15.301  -1.679
   43   1HB   ASP   4          1HB       ASP   4 -20.823  15.753   0.515
   44   2HB   ASP   4          2HB       ASP   4 -20.359  14.130   1.070
   45    HA   PRO   5           HA       PRO   5 -17.339  11.740  -2.540
   46   1HB   PRO   5          1HB       PRO   5 -15.383  12.843  -4.008
   47   2HB   PRO   5          2HB       PRO   5 -17.051  12.876  -4.564
   48   1HG   PRO   5          1HG       PRO   5 -15.683  15.123  -3.066
   49   2HG   PRO   5          2HG       PRO   5 -16.518  15.219  -4.641
   50   1HD   PRO   5          1HD       PRO   5 -17.795  15.806  -2.321
   51   2HD   PRO   5          2HD       PRO   5 -18.643  14.894  -3.607
   52    H    THR   6           H        THR   6 -17.088  11.947  -0.035
   53    HA   THR   6           HA       THR   6 -14.290  12.428   0.826
   54    HB   THR   6           HB       THR   6 -16.764  11.416   2.284
   55    HG1  THR   6          1HG       THR   6 -16.636  13.677   1.821
   56   1HG2  THR   6          3HG2      THR   6 -13.896  11.781   3.261
   57   2HG2  THR   6          1HG2      THR   6 -15.311  11.830   4.339
   58   3HG2  THR   6          2HG2      THR   6 -14.934  10.360   3.452
   59    H    LYS   7           H        LYS   7 -14.153  11.120  -1.250
   60    HA   LYS   7           HA       LYS   7 -14.272   8.240  -1.065
   61   1HB   LYS   7          1HB       LYS   7 -14.448   9.353  -3.237
   62   2HB   LYS   7          2HB       LYS   7 -12.951  10.223  -2.958
   63   1HG   LYS   7          1HG       LYS   7 -12.353   8.623  -4.481
   64   2HG   LYS   7          2HG       LYS   7 -11.736   7.935  -3.004
   65   1HD   LYS   7          1HD       LYS   7 -14.358   7.242  -4.415
   66   2HD   LYS   7          2HD       LYS   7 -12.870   6.311  -4.493
   67   1HE   LYS   7          1HE       LYS   7 -13.135   6.152  -1.848
   68   2HE   LYS   7          2HE       LYS   7 -14.837   6.532  -2.226
   69   1HZ   LYS   7          2HZ       LYS   7 -14.823   4.644  -3.720
   70   2HZ   LYS   7          3HZ       LYS   7 -13.320   4.199  -3.180
   71   3HZ   LYS   7          1HZ       LYS   7 -14.606   4.272  -2.143
   72    H    LYS   8           H        LYS   8 -11.502  10.497  -1.380
   73    HA   LYS   8           HA       LYS   8  -9.706   8.874   0.294
   74   1HB   LYS   8          1HB       LYS   8  -8.739  10.424  -1.351
   75   2HB   LYS   8          2HB       LYS   8  -9.716  11.741  -0.703
   76   1HG   LYS   8          1HG       LYS   8  -7.451  12.041  -0.003
   77   2HG   LYS   8          2HG       LYS   8  -8.497  11.807   1.369
   78   1HD   LYS   8          1HD       LYS   8  -6.400  10.642   1.709
   79   2HD   LYS   8          2HD       LYS   8  -7.709   9.468   1.626
   80   1HE   LYS   8          1HE       LYS   8  -5.694   8.712   0.402
   81   2HE   LYS   8          2HE       LYS   8  -7.080   8.872  -0.686
   82   1HZ   LYS   8          3HZ       LYS   8  -4.976  10.962  -0.425
   83   2HZ   LYS   8          1HZ       LYS   8  -4.990   9.788  -1.572
   84   3HZ   LYS   8          2HZ       LYS   8  -6.163  10.891  -1.537
   85    H    GLY   9           H        GLY   9 -10.024   8.824   2.568
   86   1HA   GLY   9          1HA       GLY   9 -10.944  11.378   3.797
   87   2HA   GLY   9          2HA       GLY   9 -11.462   9.786   4.404
   88    H    ARG  10           H        ARG  10 -10.175   8.949   5.844
   89    HA   ARG  10           HA       ARG  10  -7.522  10.134   6.365
   90   1HB   ARG  10          1HB       ARG  10  -9.373  10.027   8.091
   91   2HB   ARG  10          2HB       ARG  10  -9.183   8.288   8.108
   92   1HG   ARG  10          1HG       ARG  10  -7.974   9.231   9.974
   93   2HG   ARG  10          2HG       ARG  10  -6.808   8.551   8.836
   94   1HD   ARG  10          1HD       ARG  10  -6.092  10.734   9.768
   95   2HD   ARG  10          2HD       ARG  10  -6.216  10.745   8.014
   96    HE   ARG  10           HE       ARG  10  -8.668  11.653   9.348
   97   1HH1  ARG  10          2HH2      ARG  10  -5.537  12.781   7.980
   98   2HH1  ARG  10          1HH2      ARG  10  -5.740  14.364   8.681
   99   1HH2  ARG  10          2HH1      ARG  10  -9.158  13.926   9.483
  100   2HH2  ARG  10          1HH1      ARG  10  -8.032  15.041   8.734
  101    H    ARG  11           H        ARG  11  -5.951   9.037   5.263
  102    HA   ARG  11           HA       ARG  11  -6.206   6.411   4.377
  103   1HB   ARG  11          1HB       ARG  11  -4.555   8.412   3.677
  104   2HB   ARG  11          2HB       ARG  11  -3.457   7.539   4.741
  105   1HG   ARG  11          1HG       ARG  11  -4.574   5.505   3.112
  106   2HG   ARG  11          2HG       ARG  11  -4.500   6.888   2.035
  107   1HD   ARG  11          1HD       ARG  11  -2.216   5.715   3.672
  108   2HD   ARG  11          2HD       ARG  11  -2.419   5.489   1.937
  109    HE   ARG  11           HE       ARG  11  -1.306   7.768   3.395
  110   1HH1  ARG  11          2HH2      ARG  11  -2.853   6.865   0.319
  111   2HH1  ARG  11          1HH2      ARG  11  -2.072   8.165  -0.561
  112   1HH2  ARG  11          2HH1      ARG  11  -0.304   9.436   2.208
  113   2HH2  ARG  11          1HH1      ARG  11  -1.022   9.925   0.699
  114    H    ASN  12           H        ASN  12  -4.112   4.869   4.949
  115    HA   ASN  12           HA       ASN  12  -3.466   3.246   6.335
  116   1HB   ASN  12          1HB       ASN  12  -2.154   5.138   7.258
  117   2HB   ASN  12          2HB       ASN  12  -3.389   5.371   8.502
  118   1HD2  ASN  12          2HD2      ASN  12  -1.721   3.005  10.527
  119   2HD2  ASN  12          1HD2      ASN  12  -2.865   4.355  10.416
  120    H    ARG  13           H        ARG  13  -6.442   4.146   6.249
  121    HA   ARG  13           HA       ARG  13  -7.679   2.908   8.525
  122   1HB   ARG  13          1HB       ARG  13  -9.614   2.810   7.130
  123   2HB   ARG  13          2HB       ARG  13  -8.845   4.378   6.997
  124   1HG   ARG  13          1HG       ARG  13  -9.340   4.035   4.806
  125   2HG   ARG  13          2HG       ARG  13  -7.765   3.258   4.796
  126   1HD   ARG  13          1HD       ARG  13  -9.272   1.071   5.418
  127   2HD   ARG  13          2HD       ARG  13 -10.566   2.097   4.846
  128    HE   ARG  13           HE       ARG  13  -8.217   1.790   3.045
  129   1HH1  ARG  13          2HH2      ARG  13 -11.672   1.054   3.446
  130   2HH1  ARG  13          1HH2      ARG  13 -11.631  -0.197   2.234
  131   1HH2  ARG  13          2HH1      ARG  13  -8.228   0.365   1.427
  132   2HH2  ARG  13          1HH1      ARG  13  -9.605  -0.652   1.035
  133    H    PHE  14           H        PHE  14  -6.559   1.812   5.364
  134    HA   PHE  14           HA       PHE  14  -6.883  -1.032   5.974
  135   1HB   PHE  14          1HB       PHE  14  -7.037  -0.234   3.665
  136   2HB   PHE  14          2HB       PHE  14  -5.400   0.422   3.755
  137    HD1  PHE  14          1HD       PHE  14  -3.436  -1.284   4.172
  138    HD2  PHE  14          2HD       PHE  14  -7.458  -2.597   3.275
  139    HE1  PHE  14          1HE       PHE  14  -2.562  -3.405   3.274
  140    HE2  PHE  14          2HE       PHE  14  -6.545  -4.680   2.347
  141    HZ   PHE  14           HZ       PHE  14  -4.073  -4.953   2.074
  142    H    LYS  15           H        LYS  15  -5.420  -2.231   6.862
  143    HA   LYS  15           HA       LYS  15  -2.552  -1.687   6.799
  144   1HB   LYS  15          1HB       LYS  15  -2.409  -2.897   9.023
  145   2HB   LYS  15          2HB       LYS  15  -2.966  -1.231   9.145
  146   1HG   LYS  15          1HG       LYS  15  -5.171  -3.231   8.819
  147   2HG   LYS  15          2HG       LYS  15  -4.198  -3.484  10.241
  148   1HD   LYS  15          1HD       LYS  15  -5.229  -0.691   9.638
  149   2HD   LYS  15          2HD       LYS  15  -6.311  -1.917  10.327
  150   1HE   LYS  15          1HE       LYS  15  -4.853  -2.302  12.225
  151   2HE   LYS  15          2HE       LYS  15  -3.607  -1.228  11.570
  152   1HZ   LYS  15          3HZ       LYS  15  -6.319  -0.284  12.271
  153   2HZ   LYS  15          1HZ       LYS  15  -5.103  -0.369  13.349
  154   3HZ   LYS  15          2HZ       LYS  15  -4.930   0.609  12.034
  155    H    TRP  16           H        TRP  16  -1.596  -4.087   7.013
  156    HA   TRP  16           HA       TRP  16  -3.424  -6.018   5.684
  157   1HB   TRP  16          1HB       TRP  16  -0.527  -6.163   6.554
  158   2HB   TRP  16          2HB       TRP  16  -1.438  -7.566   6.016
  159    HD1  TRP  16           HD       TRP  16   0.255  -4.506   4.643
  160    HE1  TRP  16          1HE       TRP  16   0.202  -4.548   2.082
  161    HE3  TRP  16          3HE       TRP  16  -2.810  -8.549   3.963
  162    HZ2  TRP  16          2HZ       TRP  16  -1.274  -5.904   0.055
  163    HZ3  TRP  16          3HZ       TRP  16  -3.241  -9.378   1.674
  164    HH2  TRP  16           HH       TRP  16  -2.595  -8.013  -0.288
  165    H    GLY  17           H        GLY  17  -2.936  -8.339   7.077
  166   1HA   GLY  17          1HA       GLY  17  -3.549  -7.919   9.909
  167   2HA   GLY  17          2HA       GLY  17  -4.856  -8.580   8.895
  168    HA   PRO  18           HA       PRO  18  -1.893 -11.988  10.125
  169   1HB   PRO  18          1HB       PRO  18  -3.510 -13.475  11.759
  170   2HB   PRO  18          2HB       PRO  18  -2.579 -12.055  12.324
  171   1HG   PRO  18          1HG       PRO  18  -5.481 -12.136  11.480
  172   2HG   PRO  18          2HG       PRO  18  -4.800 -11.410  12.960
  173   1HD   PRO  18          1HD       PRO  18  -5.365  -9.934  10.737
  174   2HD   PRO  18          2HD       PRO  18  -3.942  -9.560  11.752
  175    H    ALA  19           H        ALA  19  -2.072 -14.175   9.427
  176    HA   ALA  19           HA       ALA  19  -2.533 -15.950   8.230
  177   1HB   ALA  19          1HB       ALA  19  -4.780 -15.859   9.145
  178   2HB   ALA  19          2HB       ALA  19  -5.304 -14.808   7.800
  179   3HB   ALA  19          3HB       ALA  19  -4.721 -16.461   7.464
  180    H    SER  20           H        SER  20  -4.027 -13.107   6.896
  181    HA   SER  20           HA       SER  20  -3.173 -12.869   4.286
  182   1HB   SER  20          1HB       SER  20  -3.768 -11.141   6.575
  183   2HB   SER  20          2HB       SER  20  -2.469 -10.453   5.593
  184    HG   SER  20           HG       SER  20  -5.058 -11.322   4.769
  185    H    GLN  21           H        GLN  21  -1.117 -12.474   7.269
  186    HA   GLN  21           HA       GLN  21   1.232 -11.692   5.908
  187   1HB   GLN  21          1HB       GLN  21   1.069 -13.392   8.427
  188   2HB   GLN  21          2HB       GLN  21   2.486 -12.515   7.840
  189   1HG   GLN  21          1HG       GLN  21  -0.097 -11.331   8.903
  190   2HG   GLN  21          2HG       GLN  21   1.514 -11.261   9.613
  191   1HE2  GLN  21          2HE2      GLN  21   0.444  -8.511   6.821
  192   2HE2  GLN  21          1HE2      GLN  21  -0.650  -9.783   7.365
  193    H    GLN  22           H        GLN  22   0.260 -15.058   6.810
  194    HA   GLN  22           HA       GLN  22   2.444 -16.362   5.528
  195   1HB   GLN  22          1HB       GLN  22   1.122 -17.672   6.986
  196   2HB   GLN  22          2HB       GLN  22  -0.381 -17.239   6.152
  197   1HG   GLN  22          1HG       GLN  22   0.194 -19.502   5.691
  198   2HG   GLN  22          2HG       GLN  22   0.277 -18.600   4.193
  199   1HE2  GLN  22          2HE2      GLN  22   3.810 -19.209   3.717
  200   2HE2  GLN  22          1HE2      GLN  22   2.545 -18.064   3.374
  201    H    ILE  23           H        ILE  23  -0.819 -15.454   4.312
  202    HA   ILE  23           HA       ILE  23  -0.412 -16.617   1.769
  203    HB   ILE  23           HB       ILE  23  -2.289 -14.488   2.784
  204   1HG1  ILE  23          1HG1      ILE  23  -2.660 -17.364   1.817
  205   2HG1  ILE  23          2HG1      ILE  23  -2.308 -16.972   3.502
  206   1HG2  ILE  23          2HG2      ILE  23  -2.168 -15.702  -0.014
  207   2HG2  ILE  23          3HG2      ILE  23  -3.549 -14.804   0.644
  208   3HG2  ILE  23          1HG2      ILE  23  -2.018 -13.980   0.414
  209   1HD1  ILE  23          2HD1      ILE  23  -4.365 -15.613   3.616
  210   2HD1  ILE  23          3HD1      ILE  23  -4.766 -16.174   1.966
  211   3HD1  ILE  23          1HD1      ILE  23  -4.618 -17.346   3.277
  212    H    LEU  24           H        LEU  24   0.284 -13.259   2.796
  213    HA   LEU  24           HA       LEU  24   1.332 -12.270   0.346
  214   1HB   LEU  24          1HB       LEU  24   2.090 -11.826   3.280
  215   2HB   LEU  24          2HB       LEU  24   2.833 -10.953   1.963
  216    HG   LEU  24           HG       LEU  24  -0.092 -10.812   2.790
  217   1HD1  LEU  24          1HD1      LEU  24   1.571  -9.608   4.188
  218   2HD1  LEU  24          2HD1      LEU  24   2.167  -8.783   2.735
  219   3HD1  LEU  24          3HD1      LEU  24   0.514  -8.496   3.297
  220   1HD2  LEU  24          3HD2      LEU  24   1.333  -9.881   0.326
  221   2HD2  LEU  24          1HD2      LEU  24  -0.289 -10.568   0.489
  222   3HD2  LEU  24          2HD2      LEU  24   0.031  -8.897   1.005
  223    H    PHE  25           H        PHE  25   2.981 -14.081   2.993
  224    HA   PHE  25           HA       PHE  25   5.464 -14.249   1.600
  225   1HB   PHE  25          1HB       PHE  25   4.344 -16.097   3.731
  226   2HB   PHE  25          2HB       PHE  25   5.985 -16.121   3.132
  227    HD1  PHE  25          1HD       PHE  25   7.078 -13.532   3.087
  228    HD2  PHE  25          2HD       PHE  25   4.248 -15.155   5.911
  229    HE1  PHE  25          1HE       PHE  25   7.904 -11.975   4.823
  230    HE2  PHE  25          2HE       PHE  25   5.080 -13.612   7.640
  231    HZ   PHE  25           HZ       PHE  25   6.939 -12.036   7.117
  232    H    GLN  26           H        GLN  26   2.539 -16.285   1.353
  233    HA   GLN  26           HA       GLN  26   3.739 -18.553   0.261
  234   1HB   GLN  26          1HB       GLN  26   1.658 -19.360  -0.178
  235   2HB   GLN  26          2HB       GLN  26   1.200 -18.026   0.872
  236   1HG   GLN  26          1HG       GLN  26   0.772 -16.665  -1.314
  237   2HG   GLN  26          2HG       GLN  26   1.161 -18.137  -2.169
  238   1HE2  GLN  26          2HE2      GLN  26  -2.266 -18.901  -0.144
  239   2HE2  GLN  26          1HE2      GLN  26  -0.761 -18.784   0.729
  240    H    ALA  27           H        ALA  27   2.815 -15.494  -1.248
  241    HA   ALA  27           HA       ALA  27   3.626 -16.351  -3.941
  242   1HB   ALA  27          1HB       ALA  27   2.882 -13.628  -2.845
  243   2HB   ALA  27          2HB       ALA  27   3.179 -14.036  -4.557
  244   3HB   ALA  27          3HB       ALA  27   1.812 -14.774  -3.697
  245    H    TYR  28           H        TYR  28   4.858 -14.008  -1.437
  246    HA   TYR  28           HA       TYR  28   7.013 -13.123  -2.934
  247   1HB   TYR  28          1HB       TYR  28   6.111 -12.497  -0.502
  248   2HB   TYR  28          2HB       TYR  28   7.456 -13.479   0.022
  249    HD1  TYR  28          1HD       TYR  28   9.841 -12.799  -0.697
  250    HD2  TYR  28          2HD       TYR  28   6.408 -10.305  -1.445
  251    HE1  TYR  28          1HE       TYR  28  11.328 -10.905  -1.299
  252    HE2  TYR  28          2HE       TYR  28   7.901  -8.397  -1.928
  253    HH   TYR  28           HH       TYR  28  11.433  -8.665  -1.829
  254    H    GLU  29           H        GLU  29   6.793 -16.058  -1.019
  255    HA   GLU  29           HA       GLU  29   9.370 -17.141  -1.117
  256   1HB   GLU  29          1HB       GLU  29   7.392 -18.080   0.011
  257   2HB   GLU  29          2HB       GLU  29   6.607 -18.381  -1.536
  258   1HG   GLU  29          1HG       GLU  29   8.396 -20.029  -2.083
  259   2HG   GLU  29          2HG       GLU  29   9.134 -19.729  -0.508
  260    H    ARG  30           H        ARG  30   6.762 -17.632  -3.580
  261    HA   ARG  30           HA       ARG  30   8.748 -18.694  -5.451
  262   1HB   ARG  30          1HB       ARG  30   5.739 -18.519  -5.363
  263   2HB   ARG  30          2HB       ARG  30   6.544 -18.775  -6.920
  264   1HG   ARG  30          1HG       ARG  30   7.540 -20.784  -6.290
  265   2HG   ARG  30          2HG       ARG  30   7.375 -20.470  -4.560
  266   1HD   ARG  30          1HD       ARG  30   4.959 -20.889  -6.371
  267   2HD   ARG  30          2HD       ARG  30   5.772 -22.239  -5.594
  268    HE   ARG  30           HE       ARG  30   3.988 -20.284  -4.376
  269   1HH1  ARG  30          2HH2      ARG  30   6.505 -22.705  -3.732
  270   2HH1  ARG  30          1HH2      ARG  30   6.488 -22.461  -2.015
  271   1HH2  ARG  30          2HH1      ARG  30   4.094 -19.910  -2.102
  272   2HH2  ARG  30          1HH1      ARG  30   5.027 -20.918  -1.060
  273    H    GLN  31           H        GLN  31   6.236 -16.112  -5.842
  274    HA   GLN  31           HA       GLN  31   8.199 -14.742  -7.617
  275   1HB   GLN  31          1HB       GLN  31   6.805 -14.349  -9.363
  276   2HB   GLN  31          2HB       GLN  31   6.697 -16.076  -9.021
  277   1HG   GLN  31          1HG       GLN  31   4.475 -15.618  -7.891
  278   2HG   GLN  31          2HG       GLN  31   4.635 -13.924  -8.409
  279   1HE2  GLN  31          2HE2      GLN  31   2.628 -15.748 -11.022
  280   2HE2  GLN  31          1HE2      GLN  31   2.394 -15.394  -9.319
  281    H    LYS  32           H        LYS  32   8.328 -12.657  -7.532
  282    HA   LYS  32           HA       LYS  32   6.417 -11.002  -6.011
  283   1HB   LYS  32          1HB       LYS  32   8.304  -9.886  -4.880
  284   2HB   LYS  32          2HB       LYS  32   8.117 -11.545  -4.338
  285   1HG   LYS  32          1HG       LYS  32  10.079 -11.229  -6.575
  286   2HG   LYS  32          2HG       LYS  32  10.461 -10.306  -5.138
  287   1HD   LYS  32          1HD       LYS  32  11.617 -12.352  -4.984
  288   2HD   LYS  32          2HD       LYS  32  10.362 -12.358  -3.741
  289   1HE   LYS  32          1HE       LYS  32   8.974 -13.857  -5.089
  290   2HE   LYS  32          2HE       LYS  32  10.119 -13.761  -6.454
  291   1HZ   LYS  32          1HZ       LYS  32  10.694 -14.930  -3.805
  292   2HZ   LYS  32          2HZ       LYS  32  10.303 -15.783  -5.139
  293   3HZ   LYS  32          3HZ       LYS  32  11.711 -14.931  -5.078
  294    H    ASN  33           H        ASN  33   6.216 -11.188  -8.593
  295    HA   ASN  33           HA       ASN  33   8.067  -9.352 -10.043
  296   1HB   ASN  33          1HB       ASN  33   7.483 -12.280 -10.685
  297   2HB   ASN  33          2HB       ASN  33   8.311 -11.132 -11.735
  298   1HD2  ASN  33          2HD2      ASN  33  10.526 -13.188  -9.140
  299   2HD2  ASN  33          1HD2      ASN  33   8.982 -13.702  -9.830
  300    HA   PRO  34           HA       PRO  34   3.645  -9.347 -10.435
  301   1HB   PRO  34          1HB       PRO  34   2.995  -6.651 -10.650
  302   2HB   PRO  34          2HB       PRO  34   3.411  -7.495  -9.128
  303   1HG   PRO  34          1HG       PRO  34   5.216  -5.862 -10.874
  304   2HG   PRO  34          2HG       PRO  34   5.073  -5.832  -9.096
  305   1HD   PRO  34          1HD       PRO  34   7.056  -7.221 -10.382
  306   2HD   PRO  34          2HD       PRO  34   6.341  -7.812  -8.873
  307    H    SER  35           H        SER  35   3.758 -10.563 -12.271
  308    HA   SER  35           HA       SER  35   3.331  -9.135 -14.841
  309   1HB   SER  35          1HB       SER  35   3.382 -12.118 -14.175
  310   2HB   SER  35          2HB       SER  35   3.218 -11.390 -15.788
  311    HG   SER  35           HG       SER  35   5.227 -10.301 -15.336
  312    H    LYS  36           H        LYS  36   1.402 -11.920 -13.727
  313    HA   LYS  36           HA       LYS  36  -1.086 -10.235 -13.771
  314   1HB   LYS  36          1HB       LYS  36  -0.415 -12.815 -15.274
  315   2HB   LYS  36          2HB       LYS  36  -2.065 -12.236 -15.043
  316   1HG   LYS  36          1HG       LYS  36   0.115 -10.623 -16.459
  317   2HG   LYS  36          2HG       LYS  36  -0.965 -11.726 -17.294
  318   1HD   LYS  36          1HD       LYS  36  -1.990  -9.365 -15.641
  319   2HD   LYS  36          2HD       LYS  36  -1.592  -9.299 -17.360
  320   1HE   LYS  36          1HE       LYS  36  -3.251 -11.200 -17.752
  321   2HE   LYS  36          2HE       LYS  36  -3.718 -11.059 -16.049
  322   1HZ   LYS  36          2HZ       LYS  36  -3.979  -8.874 -18.031
  323   2HZ   LYS  36          3HZ       LYS  36  -5.184  -9.867 -17.515
  324   3HZ   LYS  36          1HZ       LYS  36  -4.468  -8.864 -16.448
  325    H    GLU  37           H        GLU  37  -1.165 -13.701 -13.611
  326    HA   GLU  37           HA       GLU  37  -3.086 -13.683 -11.981
  327   1HB   GLU  37          1HB       GLU  37  -1.007 -15.581 -12.985
  328   2HB   GLU  37          2HB       GLU  37  -1.538 -15.985 -11.403
  329   1HG   GLU  37          1HG       GLU  37  -3.168 -15.881 -13.915
  330   2HG   GLU  37          2HG       GLU  37  -2.939 -17.230 -12.800
  331    H    GLU  38           H        GLU  38   0.260 -13.945 -10.878
  332    HA   GLU  38           HA       GLU  38   0.434 -14.441  -8.338
  333   1HB   GLU  38          1HB       GLU  38   2.200 -13.142  -9.770
  334   2HB   GLU  38          2HB       GLU  38   1.188 -11.734  -9.658
  335   1HG   GLU  38          1HG       GLU  38   1.605 -11.770  -7.115
  336   2HG   GLU  38          2HG       GLU  38   2.858 -12.962  -7.442
  337    H    ARG  39           H        ARG  39  -0.820 -11.241  -9.180
  338    HA   ARG  39           HA       ARG  39  -1.334 -10.709  -6.363
  339   1HB   ARG  39          1HB       ARG  39  -2.054  -9.104  -8.807
  340   2HB   ARG  39          2HB       ARG  39  -2.214  -8.521  -7.144
  341   1HG   ARG  39          1HG       ARG  39   0.244  -8.818  -6.751
  342   2HG   ARG  39          2HG       ARG  39   0.378  -9.571  -8.308
  343   1HD   ARG  39          1HD       ARG  39  -0.425  -6.702  -7.837
  344   2HD   ARG  39          2HD       ARG  39   1.160  -7.243  -8.425
  345    HE   ARG  39           HE       ARG  39  -1.381  -7.035  -9.875
  346   1HH1  ARG  39          2HH2      ARG  39   1.562  -9.053  -9.737
  347   2HH1  ARG  39          1HH2      ARG  39   1.423  -9.512 -11.399
  348   1HH2  ARG  39          2HH1      ARG  39  -1.451  -7.618 -12.133
  349   2HH2  ARG  39          1HH1      ARG  39  -0.067  -8.351 -12.863
  350    H    GLU  40           H        GLU  40  -3.165 -11.271  -9.252
  351    HA   GLU  40           HA       GLU  40  -5.787 -10.932  -8.288
  352   1HB   GLU  40          1HB       GLU  40  -5.490 -12.673 -10.561
  353   2HB   GLU  40          2HB       GLU  40  -6.390 -11.176 -10.375
  354   1HG   GLU  40          1HG       GLU  40  -4.001 -10.023 -10.514
  355   2HG   GLU  40          2HG       GLU  40  -3.433 -11.604 -11.099
  356    H    THR  41           H        THR  41  -3.947 -13.842  -8.714
  357    HA   THR  41           HA       THR  41  -5.170 -15.822  -7.227
  358    HB   THR  41           HB       THR  41  -2.353 -15.059  -7.884
  359    HG1  THR  41          1HG       THR  41  -3.707 -16.184  -9.384
  360   1HG2  THR  41          1HG2      THR  41  -3.002 -17.225  -5.918
  361   2HG2  THR  41          2HG2      THR  41  -1.510 -17.133  -6.901
  362   3HG2  THR  41          3HG2      THR  41  -1.867 -15.861  -5.749
  363    H    LEU  42           H        LEU  42  -2.749 -13.518  -6.005
  364    HA   LEU  42           HA       LEU  42  -2.738 -14.486  -3.363
  365   1HB   LEU  42          1HB       LEU  42  -1.886 -12.013  -4.779
  366   2HB   LEU  42          2HB       LEU  42  -2.106 -11.803  -3.072
  367    HG   LEU  42           HG       LEU  42  -0.423 -14.080  -4.123
  368   1HD1  LEU  42          2HD1      LEU  42   0.116 -11.230  -4.323
  369   2HD1  LEU  42          3HD1      LEU  42   1.231 -11.960  -3.166
  370   3HD1  LEU  42          1HD1      LEU  42   1.108 -12.597  -4.830
  371   1HD2  LEU  42          1HD2      LEU  42  -0.560 -12.540  -1.471
  372   2HD2  LEU  42          2HD2      LEU  42  -1.131 -14.198  -1.755
  373   3HD2  LEU  42          3HD2      LEU  42   0.597 -13.830  -1.839
  374    H    VAL  43           H        VAL  43  -4.644 -11.888  -4.798
  375    HA   VAL  43           HA       VAL  43  -5.864 -10.936  -2.399
  376    HB   VAL  43           HB       VAL  43  -6.786 -10.901  -5.305
  377   1HG1  VAL  43          3HG1      VAL  43  -7.742  -9.449  -2.825
  378   2HG1  VAL  43          1HG1      VAL  43  -8.206  -8.965  -4.474
  379   3HG1  VAL  43          2HG1      VAL  43  -8.710 -10.541  -3.834
  380   1HG2  VAL  43          1HG2      VAL  43  -4.584  -9.620  -4.548
  381   2HG2  VAL  43          2HG2      VAL  43  -5.848  -8.827  -5.509
  382   3HG2  VAL  43          3HG2      VAL  43  -5.712  -8.533  -3.757
  383    H    GLU  44           H        GLU  44  -6.694 -13.444  -4.807
  384    HA   GLU  44           HA       GLU  44  -9.233 -14.164  -3.771
  385   1HB   GLU  44          1HB       GLU  44  -7.408 -15.034  -5.813
  386   2HB   GLU  44          2HB       GLU  44  -7.562 -16.426  -4.783
  387   1HG   GLU  44          1HG       GLU  44  -9.474 -15.123  -6.664
  388   2HG   GLU  44          2HG       GLU  44  -9.142 -16.825  -6.350
  389    H    GLU  45           H        GLU  45  -6.098 -15.754  -3.199
  390    HA   GLU  45           HA       GLU  45  -7.000 -17.507  -1.237
  391   1HB   GLU  45          1HB       GLU  45  -4.473 -16.645  -2.311
  392   2HB   GLU  45          2HB       GLU  45  -4.302 -16.801  -0.560
  393   1HG   GLU  45          1HG       GLU  45  -5.487 -18.988  -2.299
  394   2HG   GLU  45          2HG       GLU  45  -3.769 -18.864  -1.921
  395    H    CYS  46           H        CYS  46  -5.615 -14.280  -0.869
  396    HA   CYS  46           HA       CYS  46  -5.641 -13.966   1.941
  397   1HB   CYS  46          1HB       CYS  46  -4.681 -12.243   0.500
  398   2HB   CYS  46          2HB       CYS  46  -6.248 -11.904  -0.229
  399    HG   CYS  46           HG       CYS  46  -5.549 -11.709   2.995
  400    H    ASN  47           H        ASN  47  -8.193 -13.279  -0.417
  401    HA   ASN  47           HA       ASN  47 -10.101 -12.278   1.493
  402   1HB   ASN  47          1HB       ASN  47 -10.077 -13.011  -1.432
  403   2HB   ASN  47          2HB       ASN  47 -11.615 -13.003  -0.669
  404   1HD2  ASN  47          2HD2      ASN  47  -9.556  -9.452  -1.222
  405   2HD2  ASN  47          1HD2      ASN  47  -8.899 -11.039  -1.605
  406    H    ARG  48           H        ARG  48  -9.587 -15.556   0.099
  407    HA   ARG  48           HA       ARG  48 -11.825 -16.754   1.386
  408   1HB   ARG  48          1HB       ARG  48 -10.250 -17.865  -0.234
  409   2HB   ARG  48          2HB       ARG  48  -9.030 -17.934   1.014
  410   1HG   ARG  48          1HG       ARG  48  -9.980 -20.064   1.048
  411   2HG   ARG  48          2HG       ARG  48 -10.613 -19.268   2.481
  412   1HD   ARG  48          1HD       ARG  48 -12.358 -20.565   1.348
  413   2HD   ARG  48          2HD       ARG  48 -12.773 -18.847   1.287
  414    HE   ARG  48           HE       ARG  48 -11.284 -19.351  -1.043
  415   1HH1  ARG  48          2HH2      ARG  48 -14.222 -20.929   0.109
  416   2HH1  ARG  48          1HH2      ARG  48 -15.123 -20.607  -1.340
  417   1HH2  ARG  48          2HH1      ARG  48 -12.110 -19.400  -2.931
  418   2HH2  ARG  48          1HH1      ARG  48 -13.701 -19.980  -3.353
  419    H    ALA  49           H        ALA  49  -8.410 -16.427   2.511
  420    HA   ALA  49           HA       ALA  49  -8.890 -17.424   5.107
  421   1HB   ALA  49          2HB       ALA  49  -6.813 -15.420   4.166
  422   2HB   ALA  49          3HB       ALA  49  -6.796 -16.271   5.728
  423   3HB   ALA  49          1HB       ALA  49  -6.678 -17.193   4.216
  424    H    GLU  50           H        GLU  50  -9.444 -14.122   3.790
  425    HA   GLU  50           HA       GLU  50  -9.673 -12.932   6.415
  426   1HB   GLU  50          1HB       GLU  50  -9.286 -11.895   3.902
  427   2HB   GLU  50          2HB       GLU  50 -11.032 -11.709   4.051
  428   1HG   GLU  50          1HG       GLU  50 -10.224  -9.704   4.995
  429   2HG   GLU  50          2HG       GLU  50 -10.337 -10.684   6.457
  430    H    CYS  51           H        CYS  51 -11.789 -14.432   3.993
  431    HA   CYS  51           HA       CYS  51 -14.187 -13.759   5.237
  432   1HB   CYS  51          1HB       CYS  51 -15.285 -15.063   3.757
  433   2HB   CYS  51          2HB       CYS  51 -13.765 -15.012   2.860
  434    HG   CYS  51           HG       CYS  51 -15.219 -17.346   2.978
  435    H    ILE  52           H        ILE  52 -11.916 -16.461   5.794
  436    HA   ILE  52           HA       ILE  52 -13.684 -17.856   7.590
  437    HB   ILE  52           HB       ILE  52 -10.626 -17.824   7.331
  438   1HG1  ILE  52          1HG1      ILE  52 -12.619 -19.913   6.337
  439   2HG1  ILE  52          2HG1      ILE  52 -11.954 -18.631   5.328
  440   1HG2  ILE  52          3HG2      ILE  52 -11.231 -18.640   9.568
  441   2HG2  ILE  52          1HG2      ILE  52 -12.341 -19.823   8.836
  442   3HG2  ILE  52          2HG2      ILE  52 -10.588 -19.940   8.583
  443   1HD1  ILE  52          1HD1      ILE  52  -9.625 -19.464   5.925
  444   2HD1  ILE  52          2HD1      ILE  52 -10.405 -20.915   6.580
  445   3HD1  ILE  52          3HD1      ILE  52 -10.601 -20.488   4.870
  446    H    GLN  53           H        GLN  53 -11.271 -15.286   7.996
  447    HA   GLN  53           HA       GLN  53 -11.191 -15.325  10.783
  448   1HB   GLN  53          1HB       GLN  53 -10.932 -12.792   9.114
  449   2HB   GLN  53          2HB       GLN  53 -10.447 -13.030  10.800
  450   1HG   GLN  53          1HG       GLN  53  -9.068 -15.074   9.842
  451   2HG   GLN  53          2HG       GLN  53  -9.213 -14.199   8.318
  452   1HE2  GLN  53          2HE2      GLN  53  -6.506 -12.134   9.059
  453   2HE2  GLN  53          1HE2      GLN  53  -7.781 -12.409   7.917
  454    H    ARG  54           H        ARG  54 -13.827 -13.911   8.821
  455    HA   ARG  54           HA       ARG  54 -15.344 -13.555  11.363
  456   1HB   ARG  54          1HB       ARG  54 -16.198 -11.524  10.505
  457   2HB   ARG  54          2HB       ARG  54 -14.422 -11.477  10.509
  458   1HG   ARG  54          1HG       ARG  54 -14.395 -11.821   8.055
  459   2HG   ARG  54          2HG       ARG  54 -16.161 -11.958   8.076
  460   1HD   ARG  54          1HD       ARG  54 -15.562  -9.676   7.409
  461   2HD   ARG  54          2HD       ARG  54 -16.336  -9.645   8.994
  462    HE   ARG  54           HE       ARG  54 -13.546  -9.901   9.428
  463   1HH1  ARG  54          2HH2      ARG  54 -15.709  -7.422   7.988
  464   2HH1  ARG  54          1HH2      ARG  54 -14.784  -6.122   8.645
  465   1HH2  ARG  54          2HH1      ARG  54 -12.383  -8.254  10.175
  466   2HH2  ARG  54          1HH1      ARG  54 -12.693  -6.587   9.816
  467    H    GLY  55           H        GLY  55 -15.281 -15.665   9.063
  468   1HA   GLY  55          1HA       GLY  55 -16.870 -17.022   8.150
  469   2HA   GLY  55          2HA       GLY  55 -18.159 -16.040   8.811
  470    H    VAL  56           H        VAL  56 -18.071 -13.654   7.740
  471    HA   VAL  56           HA       VAL  56 -18.765 -12.456   5.925
  472    HB   VAL  56           HB       VAL  56 -16.229 -13.680   5.221
  473   1HG1  VAL  56          1HG1      VAL  56 -17.255 -14.166   3.078
  474   2HG1  VAL  56          2HG1      VAL  56 -17.713 -12.440   2.907
  475   3HG1  VAL  56          3HG1      VAL  56 -16.013 -12.924   2.949
  476   1HG2  VAL  56          1HG2      VAL  56 -16.744 -11.251   6.157
  477   2HG2  VAL  56          2HG2      VAL  56 -15.364 -11.583   5.130
  478   3HG2  VAL  56          3HG2      VAL  56 -16.820 -10.851   4.441
  479    H    SER  57           H        SER  57 -19.802 -12.524   3.685
  480    HA   SER  57           HA       SER  57 -21.338 -15.006   3.305
  481   1HB   SER  57          1HB       SER  57 -21.621 -12.245   2.544
  482   2HB   SER  57          2HB       SER  57 -21.673 -13.284   1.114
  483    HG   SER  57           HG       SER  57 -23.230 -13.682   3.463
  484    HA   PRO  58           HA       PRO  58 -17.718 -16.579   1.419
  485   1HB   PRO  58          1HB       PRO  58 -18.658 -18.609  -0.240
  486   2HB   PRO  58          2HB       PRO  58 -18.553 -18.703   1.540
  487   1HG   PRO  58          1HG       PRO  58 -20.954 -17.964  -0.151
  488   2HG   PRO  58          2HG       PRO  58 -20.882 -19.111   1.222
  489   1HD   PRO  58          1HD       PRO  58 -21.773 -16.568   1.537
  490   2HD   PRO  58          2HD       PRO  58 -20.739 -17.318   2.794
  491    H    SER  59           H        SER  59 -20.282 -15.706  -0.895
  492    HA   SER  59           HA       SER  59 -18.377 -15.356  -3.118
  493   1HB   SER  59          1HB       SER  59 -20.673 -14.721  -4.180
  494   2HB   SER  59          2HB       SER  59 -20.416 -16.406  -3.698
  495    HG   SER  59           HG       SER  59 -22.180 -16.106  -2.577
  496    H    GLN  60           H        GLN  60 -19.031 -13.527  -0.471
  497    HA   GLN  60           HA       GLN  60 -18.785 -10.924  -1.909
  498   1HB   GLN  60          1HB       GLN  60 -20.415 -11.601   0.565
  499   2HB   GLN  60          2HB       GLN  60 -20.122  -9.967   0.015
  500   1HG   GLN  60          1HG       GLN  60 -21.486 -11.952  -1.850
  501   2HG   GLN  60          2HG       GLN  60 -22.375 -11.082  -0.600
  502   1HE2  GLN  60          2HE2      GLN  60 -22.800  -8.567  -3.101
  503   2HE2  GLN  60          1HE2      GLN  60 -23.597  -9.855  -2.235
  504    H    ALA  61           H        ALA  61 -16.529 -12.320  -1.354
  505    HA   ALA  61           HA       ALA  61 -15.558 -11.424   1.265
  506   1HB   ALA  61          1HB       ALA  61 -14.478 -13.380   0.297
  507   2HB   ALA  61          2HB       ALA  61 -13.903 -12.410  -1.080
  508   3HB   ALA  61          3HB       ALA  61 -13.345 -12.080   0.572
  509    H    GLN  62           H        GLN  62 -16.147 -10.000  -1.845
  510    HA   GLN  62           HA       GLN  62 -14.676  -7.613  -1.562
  511   1HB   GLN  62          1HB       GLN  62 -16.043  -6.640  -3.085
  512   2HB   GLN  62          2HB       GLN  62 -16.401  -8.328  -3.408
  513   1HG   GLN  62          1HG       GLN  62 -18.518  -7.424  -3.406
  514   2HG   GLN  62          2HG       GLN  62 -18.420  -7.903  -1.716
  515   1HE2  GLN  62          2HE2      GLN  62 -18.398  -3.886  -2.792
  516   2HE2  GLN  62          1HE2      GLN  62 -18.346  -5.153  -3.998
  517    H    GLY  63           H        GLY  63 -17.352  -8.831   0.352
  518   1HA   GLY  63          1HA       GLY  63 -18.270  -6.454   1.540
  519   2HA   GLY  63          2HA       GLY  63 -18.451  -8.115   2.147
  520    H    LEU  64           H        LEU  64 -15.358  -8.317   2.230
  521    HA   LEU  64           HA       LEU  64 -14.917  -7.937   4.900
  522   1HB   LEU  64          1HB       LEU  64 -13.116  -7.896   2.478
  523   2HB   LEU  64          2HB       LEU  64 -12.443  -7.392   4.015
  524    HG   LEU  64           HG       LEU  64 -11.953  -9.682   3.649
  525   1HD1  LEU  64          2HD1      LEU  64 -12.320  -8.956   5.963
  526   2HD1  LEU  64          3HD1      LEU  64 -13.970  -9.619   5.861
  527   3HD1  LEU  64          1HD1      LEU  64 -12.572 -10.680   5.677
  528   1HD2  LEU  64          1HD2      LEU  64 -14.829 -10.239   3.245
  529   2HD2  LEU  64          2HD2      LEU  64 -13.381 -10.624   2.263
  530   3HD2  LEU  64          3HD2      LEU  64 -13.643 -11.475   3.765
  531    H    GLY  65           H        GLY  65 -14.697  -5.426   2.463
  532   1HA   GLY  65          1HA       GLY  65 -14.965  -3.177   2.613
  533   2HA   GLY  65          2HA       GLY  65 -15.650  -3.495   4.208
  534    H    SER  66           H        SER  66 -13.911  -3.821   5.976
  535    HA   SER  66           HA       SER  66 -12.134  -1.471   6.009
  536   1HB   SER  66          1HB       SER  66 -13.434  -2.368   8.029
  537   2HB   SER  66          2HB       SER  66 -12.304  -3.715   8.072
  538    HG   SER  66           HG       SER  66 -11.915  -1.649   9.324
  539    H    ASN  67           H        ASN  67 -11.796  -4.987   6.368
  540    HA   ASN  67           HA       ASN  67  -8.948  -5.044   6.173
  541   1HB   ASN  67          1HB       ASN  67 -11.141  -7.120   5.788
  542   2HB   ASN  67          2HB       ASN  67  -9.465  -7.578   5.644
  543   1HD2  ASN  67          2HD2      ASN  67  -9.236  -6.465   9.363
  544   2HD2  ASN  67          1HD2      ASN  67  -8.527  -5.818   7.920
  545    H    LEU  68           H        LEU  68 -11.489  -5.172   3.801
  546    HA   LEU  68           HA       LEU  68 -10.807  -6.914   2.072
  547   1HB   LEU  68          1HB       LEU  68 -12.657  -5.591   1.609
  548   2HB   LEU  68          2HB       LEU  68 -11.702  -4.110   1.349
  549    HG   LEU  68           HG       LEU  68 -10.717  -5.254  -0.708
  550   1HD1  LEU  68          1HD1      LEU  68 -12.865  -7.312  -0.148
  551   2HD1  LEU  68          2HD1      LEU  68 -11.877  -7.189  -1.626
  552   3HD1  LEU  68          3HD1      LEU  68 -11.119  -7.615  -0.091
  553   1HD2  LEU  68          1HD2      LEU  68 -12.539  -3.648  -0.945
  554   2HD2  LEU  68          2HD2      LEU  68 -12.670  -4.958  -2.128
  555   3HD2  LEU  68          3HD2      LEU  68 -13.711  -4.959  -0.692
  556    H    VAL  69           H        VAL  69  -8.980  -7.564   1.340
  557    HA   VAL  69           HA       VAL  69  -6.852  -5.797   0.292
  558    HB   VAL  69           HB       VAL  69  -7.214  -8.801   0.512
  559   1HG1  VAL  69          2HG1      VAL  69  -4.862  -7.236  -0.628
  560   2HG1  VAL  69          3HG1      VAL  69  -4.852  -8.967  -0.203
  561   3HG1  VAL  69          1HG1      VAL  69  -5.896  -8.390  -1.498
  562   1HG2  VAL  69          1HG2      VAL  69  -6.762  -7.526   2.627
  563   2HG2  VAL  69          2HG2      VAL  69  -5.378  -8.514   2.196
  564   3HG2  VAL  69          3HG2      VAL  69  -5.344  -6.792   1.862
  565    H    THR  70           H        THR  70  -6.950  -5.005  -1.700
  566    HA   THR  70           HA       THR  70  -8.373  -6.470  -3.851
  567    HB   THR  70           HB       THR  70  -8.350  -4.200  -4.978
  568    HG1  THR  70          1HG       THR  70  -7.901  -2.424  -3.721
  569   1HG2  THR  70          1HG2      THR  70 -10.335  -5.082  -3.637
  570   2HG2  THR  70          2HG2      THR  70  -9.736  -4.115  -2.273
  571   3HG2  THR  70          3HG2      THR  70 -10.248  -3.313  -3.769
  572    H    GLU  71           H        GLU  71  -7.156  -6.287  -5.960
  573    HA   GLU  71           HA       GLU  71  -4.517  -7.194  -5.875
  574   1HB   GLU  71          1HB       GLU  71  -4.370  -5.963  -8.200
  575   2HB   GLU  71          2HB       GLU  71  -5.313  -7.440  -8.001
  576   1HG   GLU  71          1HG       GLU  71  -7.341  -6.370  -8.072
  577   2HG   GLU  71          2HG       GLU  71  -6.694  -4.770  -7.597
  578    H    VAL  72           H        VAL  72  -5.447  -3.769  -6.375
  579    HA   VAL  72           HA       VAL  72  -2.879  -2.771  -6.551
  580    HB   VAL  72           HB       VAL  72  -4.803  -1.403  -7.007
  581   1HG1  VAL  72          2HG1      VAL  72  -5.340  -1.456  -3.998
  582   2HG1  VAL  72          3HG1      VAL  72  -6.055  -0.304  -5.121
  583   3HG1  VAL  72          1HG1      VAL  72  -6.399  -2.032  -5.309
  584   1HG2  VAL  72          2HG2      VAL  72  -2.591  -0.384  -6.343
  585   2HG2  VAL  72          3HG2      VAL  72  -3.998   0.674  -6.138
  586   3HG2  VAL  72          1HG2      VAL  72  -3.265  -0.105  -4.726
  587    H    ARG  73           H        ARG  73  -4.489  -3.893  -3.584
  588    HA   ARG  73           HA       ARG  73  -2.587  -2.580  -1.860
  589   1HB   ARG  73          1HB       ARG  73  -4.454  -4.944  -1.357
  590   2HB   ARG  73          2HB       ARG  73  -3.389  -4.291  -0.143
  591   1HG   ARG  73          1HG       ARG  73  -5.645  -2.807  -1.555
  592   2HG   ARG  73          2HG       ARG  73  -5.636  -3.382   0.098
  593   1HD   ARG  73          1HD       ARG  73  -4.312  -1.009  -1.113
  594   2HD   ARG  73          2HD       ARG  73  -5.156  -1.178   0.437
  595    HE   ARG  73           HE       ARG  73  -2.513  -2.519   0.143
  596   1HH1  ARG  73          2HH2      ARG  73  -4.274   0.187   1.535
  597   2HH1  ARG  73          1HH2      ARG  73  -2.946   0.730   2.512
  598   1HH2  ARG  73          2HH1      ARG  73  -0.628  -1.504   1.007
  599   2HH2  ARG  73          1HH1      ARG  73  -0.928  -0.654   2.518
  600    H    VAL  74           H        VAL  74  -2.880  -5.949  -3.105
  601    HA   VAL  74           HA       VAL  74  -0.442  -6.670  -1.754
  602    HB   VAL  74           HB       VAL  74  -2.338  -8.180  -2.470
  603   1HG1  VAL  74          2HG1      VAL  74  -0.866  -8.203  -5.079
  604   2HG1  VAL  74          3HG1      VAL  74  -2.080  -9.391  -4.561
  605   3HG1  VAL  74          1HG1      VAL  74  -2.549  -7.708  -4.799
  606   1HG2  VAL  74          2HG2      VAL  74  -0.220  -8.919  -1.436
  607   2HG2  VAL  74          3HG2      VAL  74  -0.860 -10.096  -2.561
  608   3HG2  VAL  74          1HG2      VAL  74   0.504  -9.079  -3.055
  609    H    TYR  75           H        TYR  75  -1.200  -5.669  -5.043
  610    HA   TYR  75           HA       TYR  75   1.301  -5.602  -6.206
  611   1HB   TYR  75          1HB       TYR  75  -1.112  -4.647  -6.913
  612   2HB   TYR  75          2HB       TYR  75  -0.392  -3.110  -6.468
  613    HD1  TYR  75          1HD       TYR  75   2.524  -4.086  -7.540
  614    HD2  TYR  75          2HD       TYR  75  -1.489  -4.017  -9.154
  615    HE1  TYR  75          1HE       TYR  75   3.435  -4.000  -9.803
  616    HE2  TYR  75          2HE       TYR  75  -0.563  -3.888 -11.416
  617    HH   TYR  75           HH       TYR  75   2.971  -3.784 -12.051
  618    H    ASN  76           H        ASN  76  -0.097  -3.047  -4.054
  619    HA   ASN  76           HA       ASN  76   2.348  -1.635  -4.115
  620   1HB   ASN  76          1HB       ASN  76   1.535  -0.034  -2.628
  621   2HB   ASN  76          2HB       ASN  76   0.312  -0.434  -3.834
  622   1HD2  ASN  76          2HD2      ASN  76  -2.030  -0.329  -1.255
  623   2HD2  ASN  76          1HD2      ASN  76  -1.495   0.147  -2.853
  624    H    TRP  77           H        TRP  77   1.198  -4.127  -1.833
  625    HA   TRP  77           HA       TRP  77   3.187  -3.609   0.169
  626   1HB   TRP  77          1HB       TRP  77   2.323  -5.341   1.217
  627   2HB   TRP  77          2HB       TRP  77   1.182  -5.534  -0.097
  628    HD1  TRP  77           HD       TRP  77   1.622  -7.539  -1.757
  629    HE1  TRP  77          1HE       TRP  77   3.046  -9.601  -1.798
  630    HE3  TRP  77          3HE       TRP  77   4.310  -6.641   2.487
  631    HZ2  TRP  77          2HZ       TRP  77   4.766 -10.933   0.033
  632    HZ3  TRP  77          3HZ       TRP  77   5.546  -8.528   3.494
  633    HH2  TRP  77           HH       TRP  77   5.930 -10.633   2.188
  634    H    PHE  78           H        PHE  78   3.239  -5.769  -2.715
  635    HA   PHE  78           HA       PHE  78   5.954  -6.535  -2.523
  636   1HB   PHE  78          1HB       PHE  78   4.233  -6.027  -4.988
  637   2HB   PHE  78          2HB       PHE  78   5.838  -6.736  -5.038
  638    HD1  PHE  78          2HD       PHE  78   6.290  -8.809  -3.558
  639    HD2  PHE  78          1HD       PHE  78   2.468  -7.582  -5.094
  640    HE1  PHE  78          2HE       PHE  78   5.508 -11.168  -3.507
  641    HE2  PHE  78          1HE       PHE  78   1.771  -9.942  -5.189
  642    HZ   PHE  78           HZ       PHE  78   3.259 -11.722  -4.298
  643    H    ALA  79           H        ALA  79   4.485  -3.774  -4.275
  644    HA   ALA  79           HA       ALA  79   6.855  -2.725  -5.316
  645   1HB   ALA  79          2HB       ALA  79   4.489  -2.070  -5.874
  646   2HB   ALA  79          3HB       ALA  79   4.491  -1.073  -4.401
  647   3HB   ALA  79          1HB       ALA  79   5.634  -0.724  -5.719
  648    H    ASN  80           H        ASN  80   5.532  -2.349  -2.027
  649    HA   ASN  80           HA       ASN  80   7.509  -0.282  -1.359
  650   1HB   ASN  80          1HB       ASN  80   5.309  -1.704   0.171
  651   2HB   ASN  80          2HB       ASN  80   6.587  -0.857   1.032
  652   1HD2  ASN  80          2HD2      ASN  80   3.849   1.355  -1.129
  653   2HD2  ASN  80          1HD2      ASN  80   3.988  -0.383  -1.353
  654    H    ARG  81           H        ARG  81   6.994  -3.713  -0.519
  655    HA   ARG  81           HA       ARG  81   9.255  -4.263   1.005
  656   1HB   ARG  81          1HB       ARG  81   7.773  -5.845  -1.111
  657   2HB   ARG  81          2HB       ARG  81   9.130  -6.543  -0.260
  658   1HG   ARG  81          1HG       ARG  81   7.140  -5.212   1.528
  659   2HG   ARG  81          2HG       ARG  81   6.473  -6.530   0.574
  660   1HD   ARG  81          1HD       ARG  81   7.381  -7.084   2.902
  661   2HD   ARG  81          2HD       ARG  81   7.826  -8.162   1.588
  662    HE   ARG  81           HE       ARG  81   9.544  -6.190   3.074
  663   1HH1  ARG  81          2HH2      ARG  81   9.441  -8.874   0.727
  664   2HH1  ARG  81          1HH2      ARG  81  11.197  -8.939   0.676
  665   1HH2  ARG  81          2HH1      ARG  81  11.733  -6.441   3.021
  666   2HH2  ARG  81          1HH1      ARG  81  12.486  -7.568   1.840
  667    H    ARG  82           H        ARG  82   9.011  -4.091  -2.563
  668    HA   ARG  82           HA       ARG  82  11.566  -4.738  -3.343
  669   1HB   ARG  82          1HB       ARG  82   9.771  -2.487  -4.274
  670   2HB   ARG  82          2HB       ARG  82  11.264  -2.892  -5.098
  671   1HG   ARG  82          1HG       ARG  82   9.317  -5.144  -4.566
  672   2HG   ARG  82          2HG       ARG  82   8.904  -3.950  -5.814
  673   1HD   ARG  82          1HD       ARG  82  11.093  -4.278  -6.852
  674   2HD   ARG  82          2HD       ARG  82  11.519  -5.537  -5.682
  675    HE   ARG  82           HE       ARG  82   9.377  -6.702  -6.588
  676   1HH1  ARG  82          2HH2      ARG  82  11.662  -4.805  -8.597
  677   2HH1  ARG  82          1HH2      ARG  82  11.610  -5.979  -9.891
  678   1HH2  ARG  82          2HH1      ARG  82   9.164  -8.034  -8.466
  679   2HH2  ARG  82          1HH1      ARG  82   9.737  -7.386 -10.000
  680    H    LYS  83           H        LYS  83  10.646  -1.584  -1.821
  681    HA   LYS  83           HA       LYS  83  13.420  -0.634  -2.195
  682   1HB   LYS  83          1HB       LYS  83  10.847   0.635  -1.329
  683   2HB   LYS  83          2HB       LYS  83  12.256   1.126  -0.416
  684   1HG   LYS  83          1HG       LYS  83  12.158   2.689  -2.178
  685   2HG   LYS  83          2HG       LYS  83  13.513   1.625  -2.516
  686   1HD   LYS  83          1HD       LYS  83  12.251   2.045  -4.553
  687   2HD   LYS  83          2HD       LYS  83  12.097   0.334  -4.139
  688   1HE   LYS  83          1HE       LYS  83   9.843   0.514  -3.607
  689   2HE   LYS  83          2HE       LYS  83  10.016   2.129  -2.909
  690   1HZ   LYS  83          3HZ       LYS  83  10.099   3.072  -5.070
  691   2HZ   LYS  83          1HZ       LYS  83   9.845   1.648  -5.813
  692   3HZ   LYS  83          2HZ       LYS  83   8.697   2.268  -4.809
  693    H    GLU  84           H        GLU  84  11.314  -1.559   0.470
  694    HA   GLU  84           HA       GLU  84  12.919  -1.381   2.698
  695   1HB   GLU  84          1HB       GLU  84  10.524  -2.415   2.262
  696   2HB   GLU  84          2HB       GLU  84  11.418  -3.915   1.982
  697   1HG   GLU  84          1HG       GLU  84  12.376  -3.633   4.318
  698   2HG   GLU  84          2HG       GLU  84  11.175  -2.345   4.557
  699    H    GLU  85           H        GLU  85  13.012  -3.741   0.095
  700    HA   GLU  85           HA       GLU  85  15.106  -5.391   1.264
  701   1HB   GLU  85          1HB       GLU  85  13.001  -6.060  -0.022
  702   2HB   GLU  85          2HB       GLU  85  13.820  -5.600  -1.510
  703   1HG   GLU  85          1HG       GLU  85  15.326  -7.434  -1.309
  704   2HG   GLU  85          2HG       GLU  85  15.067  -7.583   0.438
  705    H    ALA  86           H        ALA  86  14.722  -3.507  -1.792
  706    HA   ALA  86           HA       ALA  86  17.278  -3.850  -2.816
  707   1HB   ALA  86          1HB       ALA  86  15.486  -1.395  -3.063
  708   2HB   ALA  86          2HB       ALA  86  16.874  -1.769  -4.099
  709   3HB   ALA  86          3HB       ALA  86  15.456  -2.838  -4.113
  710    H    PHE  87           H        PHE  87  16.111  -1.290  -0.627
  711    HA   PHE  87           HA       PHE  87  18.521   0.220  -0.478
  712   1HB   PHE  87          1HB       PHE  87  16.273  -0.223   1.551
  713   2HB   PHE  87          2HB       PHE  87  17.633   0.830   1.870
  714    HD1  PHE  87          1HD       PHE  87  18.163   2.446  -0.392
  715    HD2  PHE  87          2HD       PHE  87  14.369   1.133   1.180
  716    HE1  PHE  87          1HE       PHE  87  17.077   4.444  -1.346
  717    HE2  PHE  87          2HE       PHE  87  13.320   3.219   0.357
  718    HZ   PHE  87           HZ       PHE  87  14.655   4.853  -0.963
  719    H    ARG  88           H        ARG  88  17.333  -2.368   1.716
  720    HA   ARG  88           HA       ARG  88  19.671  -2.431   3.282
  721   1HB   ARG  88          1HB       ARG  88  17.191  -3.607   3.441
  722   2HB   ARG  88          2HB       ARG  88  18.125  -4.971   2.850
  723   1HG   ARG  88          1HG       ARG  88  18.410  -5.285   5.091
  724   2HG   ARG  88          2HG       ARG  88  19.786  -4.213   4.840
  725   1HD   ARG  88          1HD       ARG  88  16.992  -3.488   5.825
  726   2HD   ARG  88          2HD       ARG  88  18.482  -3.547   6.809
  727    HE   ARG  88           HE       ARG  88  19.155  -1.621   5.001
  728   1HH1  ARG  88          2HH2      ARG  88  16.727  -2.104   7.488
  729   2HH1  ARG  88          1HH2      ARG  88  16.695  -0.386   7.865
  730   1HH2  ARG  88          2HH1      ARG  88  18.840   0.551   5.355
  731   2HH2  ARG  88          1HH1      ARG  88  17.940   1.061   6.713
  732    H    HIS  89           H        HIS  89  18.876  -4.148   0.298
  733    HA   HIS  89           HA       HIS  89  20.915  -6.126   0.393
  734   1HB   HIS  89          1HB       HIS  89  19.026  -5.022  -1.611
  735   2HB   HIS  89          2HB       HIS  89  20.510  -5.654  -2.282
  736    HD1  HIS  89          1HD       HIS  89  20.639  -8.274  -2.483
  737    HD2  HIS  89          2HD       HIS  89  17.669  -6.871   0.149
  738    HE1  HIS  89          1HE       HIS  89  19.313 -10.314  -1.715
  739    H    LYS  90           H        LYS  90  21.001  -2.722  -0.482
  740    HA   LYS  90           HA       LYS  90  23.398  -2.929  -2.039
  741   1HB   LYS  90          1HB       LYS  90  21.845  -1.069  -2.234
  742   2HB   LYS  90          2HB       LYS  90  22.160  -0.593  -0.574
  743   1HG   LYS  90          1HG       LYS  90  23.170   0.926  -2.018
  744   2HG   LYS  90          2HG       LYS  90  24.447   0.128  -1.150
  745   1HD   LYS  90          1HD       LYS  90  23.549  -0.628  -3.991
  746   2HD   LYS  90          2HD       LYS  90  24.696   0.665  -3.694
  747   1HE   LYS  90          1HE       LYS  90  25.144  -2.310  -3.190
  748   2HE   LYS  90          2HE       LYS  90  25.922  -1.274  -4.378
  749   1HZ   LYS  90          2HZ       LYS  90  26.927  -0.058  -2.478
  750   2HZ   LYS  90          3HZ       LYS  90  26.237  -1.164  -1.462
  751   3HZ   LYS  90          1HZ       LYS  90  27.356  -1.651  -2.531
  752    H    LEU  91           H        LEU  91  23.073  -3.454   1.387
  753    HA   LEU  91           HA       LEU  91  25.803  -3.106   1.855
  754   1HB   LEU  91          1HB       LEU  91  25.006  -1.231   3.749
  755   2HB   LEU  91          2HB       LEU  91  25.854  -0.896   2.250
  756    HG   LEU  91           HG       LEU  91  23.782  -0.291   1.109
  757   1HD1  LEU  91          3HD1      LEU  91  22.434  -1.121   3.696
  758   2HD1  LEU  91          1HD1      LEU  91  21.673  -0.034   2.523
  759   3HD1  LEU  91          2HD1      LEU  91  22.064  -1.684   2.073
  760   1HD2  LEU  91          2HD2      LEU  91  24.969   1.402   2.388
  761   2HD2  LEU  91          3HD2      LEU  91  23.217   1.686   2.307
  762   3HD2  LEU  91          1HD2      LEU  91  23.936   1.034   3.798
  763    H    ALA  92           H        ALA  92  22.646  -3.226   3.489
  764    HA   ALA  92           HA       ALA  92  21.941  -4.255   5.346
  765   1HB   ALA  92          2HB       ALA  92  22.300  -6.124   3.761
  766   2HB   ALA  92          3HB       ALA  92  23.896  -6.416   4.497
  767   3HB   ALA  92          1HB       ALA  92  22.418  -6.619   5.460
  768    H    MET  93           H        MET  93  24.410  -2.562   5.794
  769    HA   MET  93           HA       MET  93  24.643  -3.326   8.647
  770   1HB   MET  93          1HB       MET  93  26.793  -3.904   7.423
  771   2HB   MET  93          2HB       MET  93  26.949  -2.205   6.954
  772   1HG   MET  93          1HG       MET  93  27.016  -1.565   9.353
  773   2HG   MET  93          2HG       MET  93  26.821  -3.259   9.817
  774   1HE   MET  93          1HE       MET  93  28.655  -5.121   9.421
  775   2HE   MET  93          2HE       MET  93  28.883  -4.726   7.698
  776   3HE   MET  93          3HE       MET  93  30.281  -4.788   8.784
  777    H    ASP  94           H        ASP  94  22.686  -2.192   8.172
  778    HA   ASP  94           HA       ASP  94  22.674   0.716   8.300
  779   1HB   ASP  94          1HB       ASP  94  23.134   0.737   6.010
  780   2HB   ASP  94          2HB       ASP  94  22.462  -0.894   5.778
  781    H    THR  95           H        THR  95  21.352   0.278  10.048
  782    HA   THR  95           HA       THR  95  18.685  -0.956   9.600
  783    HB   THR  95           HB       THR  95  18.290   0.099  11.897
  784    HG1  THR  95          1HG       THR  95  20.338   0.616  12.950
  785   1HG2  THR  95          2HG2      THR  95  18.912  -2.297  11.582
  786   2HG2  THR  95          3HG2      THR  95  20.630  -1.856  11.618
  787   3HG2  THR  95          1HG2      THR  95  19.623  -1.629  13.061
  788    H    TYR  96           H        TYR  96  19.729   2.161  10.725
  789    HA   TYR  96           HA       TYR  96  18.692   4.066  10.924
  790   1HB   TYR  96          1HB       TYR  96  19.313   5.478   9.394
  791   2HB   TYR  96          2HB       TYR  96  20.011   4.087   8.604
  792    HD1  TYR  96          1HD       TYR  96  18.596   2.950   6.747
  793    HD2  TYR  96          2HD       TYR  96  17.927   6.944   8.183
  794    HE1  TYR  96          1HE       TYR  96  17.732   3.595   4.526
  795    HE2  TYR  96          2HE       TYR  96  16.917   7.552   6.011
  796    HH   TYR  96           HH       TYR  96  16.906   5.324   3.228
  797    H    LYS  97           H        LYS  97  16.797   5.560   9.571
  798    HA   LYS  97           HA       LYS  97  14.465   4.225  10.629
  799   1HB   LYS  97          1HB       LYS  97  13.480   6.599  10.344
  800   2HB   LYS  97          2HB       LYS  97  14.568   6.190  11.659
  801   1HG   LYS  97          1HG       LYS  97  16.461   7.237  10.578
  802   2HG   LYS  97          2HG       LYS  97  15.503   7.625   9.147
  803   1HD   LYS  97          1HD       LYS  97  14.972   8.600  12.011
  804   2HD   LYS  97          2HD       LYS  97  15.926   9.509  10.845
  805   1HE   LYS  97          1HE       LYS  97  12.983   8.773  10.453
  806   2HE   LYS  97          2HE       LYS  97  13.541  10.316  11.087
  807   1HZ   LYS  97          1HZ       LYS  97  14.422   9.354   8.449
  808   2HZ   LYS  97          2HZ       LYS  97  13.061  10.120   8.569
  809   3HZ   LYS  97          3HZ       LYS  97  14.441  10.889   8.983
  810    H    LEU  98           H        LEU  98  15.790   4.466   7.558
  811    HA   LEU  98           HA       LEU  98  14.974   4.398   5.446
  812   1HB   LEU  98          1HB       LEU  98  13.440   2.390   6.997
  813   2HB   LEU  98          2HB       LEU  98  12.796   2.745   5.398
  814    HG   LEU  98           HG       LEU  98  15.736   2.024   5.772
  815   1HD1  LEU  98          3HD1      LEU  98  13.369   0.218   5.119
  816   2HD1  LEU  98          1HD1      LEU  98  15.078  -0.244   5.055
  817   3HD1  LEU  98          2HD1      LEU  98  14.330   0.172   6.611
  818   1HD2  LEU  98          3HD2      LEU  98  13.870   1.984   3.372
  819   2HD2  LEU  98          1HD2      LEU  98  15.167   3.165   3.637
  820   3HD2  LEU  98          2HD2      LEU  98  15.570   1.461   3.404
  821    H    ASN  99           H        ASN  99  14.379   6.726   6.644
  822    HA   ASN  99           HA       ASN  99  12.766   7.870   4.741
  823   1HB   ASN  99          2HB       ASN  99  10.982   8.857   6.002
  824   2HB   ASN  99          3HB       ASN  99  10.816   7.112   6.174
  825   1HD2  ASN  99          2HD2      ASN  99  11.395   7.137   9.711
  826   2HD2  ASN  99          1HD2      ASN  99  11.672   6.153   8.298
   
  No H/Q in entry =         826
  Start of MODEL    3
    1   1H    MET   0          3H        MET   0 -13.834   0.434  -4.736
    2   2H    MET   0          1H        MET   0 -13.434   0.125  -6.276
    3   3H    MET   0          2H        MET   0 -12.865  -0.839  -5.061
    4    HA   MET   0           HA       MET   0 -11.571   1.001  -4.185
    5   1HB   MET   0          2HB       MET   0  -9.884   1.200  -5.953
    6   2HB   MET   0          3HB       MET   0 -10.449  -0.453  -5.792
    7   1HG   MET   0          2HG       MET   0 -11.810  -0.306  -7.765
    8   2HG   MET   0          3HG       MET   0 -11.515   1.425  -7.950
    9   1HE   MET   0          2HE       MET   0  -8.685   2.021  -7.685
   10   2HE   MET   0          3HE       MET   0  -7.965   1.658  -9.268
   11   3HE   MET   0          1HE       MET   0  -9.566   2.415  -9.183
   12    H    ALA   1           H        ALA   1 -10.466   3.146  -5.784
   13    HA   ALA   1           HA       ALA   1 -12.678   4.676  -6.922
   14   1HB   ALA   1          2HB       ALA   1 -11.268   5.641  -4.395
   15   2HB   ALA   1          3HB       ALA   1 -12.376   6.598  -5.402
   16   3HB   ALA   1          1HB       ALA   1 -12.979   5.179  -4.531
   17    H    ARG   2           H        ARG   2 -11.121   4.175  -8.713
   18    HA   ARG   2           HA       ARG   2  -9.462   4.533 -10.098
   19   1HB   ARG   2          1HB       ARG   2  -9.577   7.258  -8.846
   20   2HB   ARG   2          2HB       ARG   2  -8.157   6.830  -9.786
   21   1HG   ARG   2          1HG       ARG   2  -9.563   6.222 -11.724
   22   2HG   ARG   2          2HG       ARG   2 -11.015   6.658 -10.812
   23   1HD   ARG   2          1HD       ARG   2 -10.264   8.494 -12.345
   24   2HD   ARG   2          2HD       ARG   2 -10.278   8.978 -10.657
   25    HE   ARG   2           HE       ARG   2  -7.930   9.018 -10.542
   26   1HH1  ARG   2          2HH2      ARG   2  -8.851   7.955 -13.844
   27   2HH1  ARG   2          1HH2      ARG   2  -7.372   8.618 -14.520
   28   1HH2  ARG   2          2HH1      ARG   2  -6.045   9.467 -11.339
   29   2HH2  ARG   2          1HH1      ARG   2  -5.608   9.318 -13.030
   30    H    ILE   3           H        ILE   3  -7.192   4.413 -10.474
   31    HA   ILE   3           HA       ILE   3  -5.528   3.553  -8.253
   32    HB   ILE   3           HB       ILE   3  -5.115   2.804 -10.511
   33   1HG1  ILE   3          1HG1      ILE   3  -3.261   3.109  -8.740
   34   2HG1  ILE   3          2HG1      ILE   3  -2.834   2.719 -10.406
   35   1HG2  ILE   3          3HG2      ILE   3  -5.694   4.803 -11.855
   36   2HG2  ILE   3          1HG2      ILE   3  -4.255   5.631 -11.280
   37   3HG2  ILE   3          2HG2      ILE   3  -4.102   4.162 -12.256
   38   1HD1  ILE   3          2HD1      ILE   3  -2.671   5.539  -9.274
   39   2HD1  ILE   3          3HD1      ILE   3  -1.338   4.380  -9.350
   40   3HD1  ILE   3          1HD1      ILE   3  -2.076   4.962 -10.846
   41    H    ASP   4           H        ASP   4  -4.613   4.948  -6.738
   42    HA   ASP   4           HA       ASP   4  -3.586   7.466  -7.623
   43   1HB   ASP   4          1HB       ASP   4  -6.077   8.011  -7.241
   44   2HB   ASP   4          2HB       ASP   4  -5.745   7.826  -5.526
   45    HA   PRO   5           HA       PRO   5  -1.405   6.019  -3.861
   46   1HB   PRO   5          1HB       PRO   5   1.089   6.901  -4.418
   47   2HB   PRO   5          2HB       PRO   5   0.344   5.564  -5.320
   48   1HG   PRO   5          1HG       PRO   5   0.481   8.460  -6.196
   49   2HG   PRO   5          2HG       PRO   5   0.912   6.992  -7.122
   50   1HD   PRO   5          1HD       PRO   5  -1.529   8.281  -7.268
   51   2HD   PRO   5          2HD       PRO   5  -1.335   6.524  -7.549
   52    H    THR   6           H        THR   6  -3.166   7.932  -3.262
   53    HA   THR   6           HA       THR   6  -2.275  10.560  -2.774
   54    HB   THR   6           HB       THR   6  -4.022  10.473  -0.937
   55    HG1  THR   6          1HG       THR   6  -5.293   8.335  -1.258
   56   1HG2  THR   6          3HG2      THR   6  -4.611  11.016  -3.284
   57   2HG2  THR   6          1HG2      THR   6  -5.033   9.308  -3.548
   58   3HG2  THR   6          2HG2      THR   6  -5.931  10.292  -2.379
   59    H    LYS   7           H        LYS   7  -2.431   7.818  -0.648
   60    HA   LYS   7           HA       LYS   7  -0.086   8.261   0.988
   61   1HB   LYS   7          1HB       LYS   7  -1.301   8.947   3.015
   62   2HB   LYS   7          2HB       LYS   7  -1.348  10.176   1.773
   63   1HG   LYS   7          1HG       LYS   7  -3.706   8.722   1.280
   64   2HG   LYS   7          2HG       LYS   7  -3.528   8.667   3.037
   65   1HD   LYS   7          1HD       LYS   7  -3.294  11.146   3.063
   66   2HD   LYS   7          2HD       LYS   7  -3.551  11.212   1.321
   67   1HE   LYS   7          1HE       LYS   7  -5.536   9.953   3.302
   68   2HE   LYS   7          2HE       LYS   7  -5.556  11.660   2.852
   69   1HZ   LYS   7          2HZ       LYS   7  -5.990   9.465   0.885
   70   2HZ   LYS   7          3HZ       LYS   7  -7.105  10.449   1.584
   71   3HZ   LYS   7          1HZ       LYS   7  -5.996  11.090   0.609
   72    H    LYS   8           H        LYS   8  -0.010   6.016   0.256
   73    HA   LYS   8           HA       LYS   8  -0.622   3.835   0.164
   74   1HB   LYS   8          1HB       LYS   8  -0.467   2.803   2.458
   75   2HB   LYS   8          2HB       LYS   8   0.838   3.862   1.936
   76   1HG   LYS   8          1HG       LYS   8  -0.059   5.713   3.318
   77   2HG   LYS   8          2HG       LYS   8  -1.297   4.617   3.958
   78   1HD   LYS   8          1HD       LYS   8   0.458   3.129   4.842
   79   2HD   LYS   8          2HD       LYS   8   1.723   4.055   4.042
   80   1HE   LYS   8          1HE       LYS   8  -0.019   5.039   6.344
   81   2HE   LYS   8          2HE       LYS   8   1.681   4.535   6.422
   82   1HZ   LYS   8          2HZ       LYS   8   2.040   6.459   4.781
   83   2HZ   LYS   8          3HZ       LYS   8   0.530   6.944   5.252
   84   3HZ   LYS   8          1HZ       LYS   8   1.721   6.801   6.366
   85    H    GLY   9           H        GLY   9  -2.762   4.885  -0.723
   86   1HA   GLY   9          1HA       GLY   9  -5.042   4.756  -0.959
   87   2HA   GLY   9          2HA       GLY   9  -4.810   3.076  -0.467
   88    H    ARG  10           H        ARG  10  -4.634   6.207   1.164
   89    HA   ARG  10           HA       ARG  10  -5.338   6.987   3.122
   90   1HB   ARG  10          1HB       ARG  10  -7.674   7.405   3.287
   91   2HB   ARG  10          2HB       ARG  10  -7.180   7.472   1.608
   92   1HG   ARG  10          1HG       ARG  10  -8.092   4.859   1.764
   93   2HG   ARG  10          2HG       ARG  10  -9.060   5.639   3.000
   94   1HD   ARG  10          1HD       ARG  10 -10.299   5.703   1.008
   95   2HD   ARG  10          2HD       ARG  10  -9.745   7.362   1.241
   96    HE   ARG  10           HE       ARG  10  -7.907   6.859  -0.413
   97   1HH1  ARG  10          2HH2      ARG  10 -11.197   5.771  -0.953
   98   2HH1  ARG  10          1HH2      ARG  10 -10.809   4.710  -2.272
   99   1HH2  ARG  10          2HH1      ARG  10  -7.436   5.758  -2.416
  100   2HH2  ARG  10          1HH1      ARG  10  -8.673   4.867  -3.242
  101    H    ARG  11           H        ARG  11  -4.231   4.353   3.441
  102    HA   ARG  11           HA       ARG  11  -5.931   2.836   5.030
  103   1HB   ARG  11          1HB       ARG  11  -3.956   1.970   3.853
  104   2HB   ARG  11          2HB       ARG  11  -2.884   2.738   5.030
  105   1HG   ARG  11          1HG       ARG  11  -5.088   0.898   6.012
  106   2HG   ARG  11          2HG       ARG  11  -3.702   0.176   5.205
  107   1HD   ARG  11          1HD       ARG  11  -3.207   2.083   7.500
  108   2HD   ARG  11          2HD       ARG  11  -3.626   0.414   7.809
  109    HE   ARG  11           HE       ARG  11  -1.141   1.529   6.822
  110   1HH1  ARG  11          2HH2      ARG  11  -3.056  -1.441   7.128
  111   2HH1  ARG  11          1HH2      ARG  11  -1.630  -2.411   7.390
  112   1HH2  ARG  11          2HH1      ARG  11   0.661   0.140   6.505
  113   2HH2  ARG  11          1HH1      ARG  11   0.523  -1.521   7.008
  114    H    ASN  12           H        ASN  12  -6.102   2.544   7.153
  115    HA   ASN  12           HA       ASN  12  -4.447   3.605   9.213
  116   1HB   ASN  12          1HB       ASN  12  -6.916   5.176   8.493
  117   2HB   ASN  12          2HB       ASN  12  -6.770   4.725  10.189
  118   1HD2  ASN  12          2HD2      ASN  12  -3.850   6.685  10.855
  119   2HD2  ASN  12          1HD2      ASN  12  -4.769   5.266  11.362
  120    H    ARG  13           H        ARG  13  -7.940   3.068   8.918
  121    HA   ARG  13           HA       ARG  13  -8.246   1.094  10.802
  122   1HB   ARG  13          1HB       ARG  13 -10.326   0.501   9.540
  123   2HB   ARG  13          2HB       ARG  13 -10.139   2.205   9.913
  124   1HG   ARG  13          1HG       ARG  13  -9.527   2.783   7.657
  125   2HG   ARG  13          2HG       ARG  13  -9.344   1.084   7.205
  126   1HD   ARG  13          1HD       ARG  13 -11.833   0.778   7.551
  127   2HD   ARG  13          2HD       ARG  13 -11.927   2.503   7.843
  128    HE   ARG  13           HE       ARG  13 -11.835   2.890   5.599
  129   1HH1  ARG  13          2HH2      ARG  13 -10.656  -0.401   6.155
  130   2HH1  ARG  13          1HH2      ARG  13 -10.419  -0.737   4.455
  131   1HH2  ARG  13          2HH1      ARG  13 -11.311   2.546   3.438
  132   2HH2  ARG  13          1HH1      ARG  13 -10.372   1.141   2.942
  133    H    PHE  14           H        PHE  14  -7.483   0.528   7.329
  134    HA   PHE  14           HA       PHE  14  -7.896  -2.287   7.587
  135   1HB   PHE  14          1HB       PHE  14  -8.431  -1.171   5.584
  136   2HB   PHE  14          2HB       PHE  14  -6.764  -0.667   5.322
  137    HD1  PHE  14          1HD       PHE  14  -7.182  -4.191   6.429
  138    HD2  PHE  14          2HD       PHE  14  -7.565  -1.637   3.014
  139    HE1  PHE  14          1HE       PHE  14  -6.082  -5.911   5.045
  140    HE2  PHE  14          2HE       PHE  14  -6.836  -3.465   1.602
  141    HZ   PHE  14           HZ       PHE  14  -5.607  -5.460   2.656
  142    H    LYS  15           H        LYS  15  -6.561  -2.977   9.209
  143    HA   LYS  15           HA       LYS  15  -3.696  -3.232   9.013
  144   1HB   LYS  15          1HB       LYS  15  -3.972  -5.020  10.648
  145   2HB   LYS  15          2HB       LYS  15  -4.941  -3.611  11.098
  146   1HG   LYS  15          1HG       LYS  15  -6.961  -4.809  10.069
  147   2HG   LYS  15          2HG       LYS  15  -5.939  -6.244   9.899
  148   1HD   LYS  15          1HD       LYS  15  -5.592  -6.366  12.303
  149   2HD   LYS  15          2HD       LYS  15  -6.395  -4.813  12.544
  150   1HE   LYS  15          1HE       LYS  15  -7.834  -6.711  13.164
  151   2HE   LYS  15          2HE       LYS  15  -8.557  -5.685  11.924
  152   1HZ   LYS  15          1HZ       LYS  15  -7.162  -8.181  11.235
  153   2HZ   LYS  15          2HZ       LYS  15  -8.733  -8.140  11.627
  154   3HZ   LYS  15          3HZ       LYS  15  -8.211  -7.315  10.303
  155    H    TRP  16           H        TRP  16  -2.546  -4.645   7.661
  156    HA   TRP  16           HA       TRP  16  -3.853  -6.296   5.660
  157   1HB   TRP  16          1HB       TRP  16  -1.050  -5.793   6.590
  158   2HB   TRP  16          2HB       TRP  16  -1.385  -7.369   5.911
  159    HD1  TRP  16           HD       TRP  16  -1.361  -3.692   4.811
  160    HE1  TRP  16          1HE       TRP  16  -0.887  -3.665   2.279
  161    HE3  TRP  16          3HE       TRP  16  -2.050  -8.622   3.817
  162    HZ2  TRP  16          2HZ       TRP  16  -0.997  -5.547   0.090
  163    HZ3  TRP  16          3HZ       TRP  16  -2.323  -9.391   1.446
  164    HH2  TRP  16           HH       TRP  16  -1.744  -7.868  -0.407
  165    H    GLY  17           H        GLY  17  -2.007  -7.202   8.652
  166   1HA   GLY  17          1HA       GLY  17  -2.822  -8.619  10.307
  167   2HA   GLY  17          2HA       GLY  17  -4.175  -9.126   9.298
  168    HA   PRO  18           HA       PRO  18  -0.243 -11.853   9.498
  169   1HB   PRO  18          1HB       PRO  18  -1.028 -13.948  11.123
  170   2HB   PRO  18          2HB       PRO  18  -0.414 -12.388  11.745
  171   1HG   PRO  18          1HG       PRO  18  -3.303 -13.210  11.398
  172   2HG   PRO  18          2HG       PRO  18  -2.526 -12.495  12.834
  173   1HD   PRO  18          1HD       PRO  18  -3.865 -10.930  11.077
  174   2HD   PRO  18          2HD       PRO  18  -2.317 -10.379  11.782
  175    H    ALA  19           H        ALA  19  -3.470 -13.164   9.356
  176    HA   ALA  19           HA       ALA  19  -2.963 -15.488   7.799
  177   1HB   ALA  19          3HB       ALA  19  -5.463 -13.728   7.841
  178   2HB   ALA  19          1HB       ALA  19  -5.353 -15.376   7.183
  179   3HB   ALA  19          2HB       ALA  19  -5.114 -15.097   8.918
  180    H    SER  20           H        SER  20  -4.047 -12.238   6.780
  181    HA   SER  20           HA       SER  20  -3.818 -12.543   4.028
  182   1HB   SER  20          1HB       SER  20  -4.656 -10.534   5.521
  183   2HB   SER  20          2HB       SER  20  -2.981  -9.999   5.454
  184    HG   SER  20           HG       SER  20  -3.200 -10.242   3.093
  185    H    GLN  21           H        GLN  21  -1.251 -11.671   6.400
  186    HA   GLN  21           HA       GLN  21   0.742 -11.269   4.369
  187   1HB   GLN  21          1HB       GLN  21   0.898 -11.639   7.357
  188   2HB   GLN  21          2HB       GLN  21   2.337 -11.425   6.352
  189   1HG   GLN  21          1HG       GLN  21   1.706  -9.307   5.570
  190   2HG   GLN  21          2HG       GLN  21   0.021  -9.483   6.056
  191   1HE2  GLN  21          2HE2      GLN  21   0.576  -8.858   9.562
  192   2HE2  GLN  21          1HE2      GLN  21  -0.110 -10.055   8.482
  193    H    GLN  22           H        GLN  22  -0.584 -14.256   5.636
  194    HA   GLN  22           HA       GLN  22   1.857 -15.748   5.126
  195   1HB   GLN  22          1HB       GLN  22   0.806 -17.554   5.917
  196   2HB   GLN  22          2HB       GLN  22  -0.216 -16.325   6.640
  197   1HG   GLN  22          1HG       GLN  22  -1.768 -16.664   4.626
  198   2HG   GLN  22          2HG       GLN  22  -0.777 -18.055   4.186
  199   1HE2  GLN  22          2HE2      GLN  22  -3.183 -19.894   6.074
  200   2HE2  GLN  22          1HE2      GLN  22  -2.485 -19.606   4.505
  201    H    ILE  23           H        ILE  23  -1.031 -14.780   3.310
  202    HA   ILE  23           HA       ILE  23  -0.442 -16.189   0.878
  203    HB   ILE  23           HB       ILE  23  -2.059 -13.688   1.458
  204   1HG1  ILE  23          1HG1      ILE  23  -3.936 -15.056   0.782
  205   2HG1  ILE  23          2HG1      ILE  23  -2.855 -16.426   0.412
  206   1HG2  ILE  23          3HG2      ILE  23  -1.647 -15.126  -1.187
  207   2HG2  ILE  23          1HG2      ILE  23  -2.896 -13.912  -0.826
  208   3HG2  ILE  23          2HG2      ILE  23  -1.197 -13.440  -0.807
  209   1HD1  ILE  23          2HD1      ILE  23  -3.203 -15.278   3.170
  210   2HD1  ILE  23          3HD1      ILE  23  -4.249 -16.555   2.501
  211   3HD1  ILE  23          1HD1      ILE  23  -2.510 -16.864   2.652
  212    H    LEU  24           H        LEU  24   0.433 -12.894   2.059
  213    HA   LEU  24           HA       LEU  24   1.938 -12.182  -0.251
  214   1HB   LEU  24          1HB       LEU  24   2.228 -11.384   2.664
  215   2HB   LEU  24          2HB       LEU  24   3.222 -10.694   1.389
  216    HG   LEU  24           HG       LEU  24   0.175 -10.574   1.264
  217   1HD1  LEU  24          1HD1      LEU  24   2.195  -8.950   2.758
  218   2HD1  LEU  24          2HD1      LEU  24   0.847  -8.086   1.983
  219   3HD1  LEU  24          3HD1      LEU  24   0.533  -9.352   3.186
  220   1HD2  LEU  24          1HD2      LEU  24   2.439  -9.098  -0.153
  221   2HD2  LEU  24          2HD2      LEU  24   1.238 -10.162  -0.882
  222   3HD2  LEU  24          3HD2      LEU  24   0.738  -8.606  -0.239
  223    H    PHE  25           H        PHE  25   3.033 -13.832   2.736
  224    HA   PHE  25           HA       PHE  25   5.788 -14.020   2.041
  225   1HB   PHE  25          1HB       PHE  25   3.964 -15.680   3.816
  226   2HB   PHE  25          2HB       PHE  25   5.618 -16.150   3.500
  227    HD1  PHE  25          2HD       PHE  25   4.463 -12.582   4.053
  228    HD2  PHE  25          1HD       PHE  25   6.591 -16.010   5.615
  229    HE1  PHE  25          2HE       PHE  25   5.235 -11.241   5.977
  230    HE2  PHE  25          1HE       PHE  25   7.503 -14.605   7.423
  231    HZ   PHE  25           HZ       PHE  25   6.776 -12.237   7.656
  232    H    GLN  26           H        GLN  26   3.108 -16.392   1.557
  233    HA   GLN  26           HA       GLN  26   4.788 -18.286   0.290
  234   1HB   GLN  26          1HB       GLN  26   2.904 -19.595   0.071
  235   2HB   GLN  26          2HB       GLN  26   2.511 -18.543   1.428
  236   1HG   GLN  26          1HG       GLN  26   1.262 -17.138  -0.319
  237   2HG   GLN  26          2HG       GLN  26   1.489 -18.504  -1.414
  238   1HE2  GLN  26          2HE2      GLN  26  -0.820 -19.121   2.006
  239   2HE2  GLN  26          1HE2      GLN  26   0.630 -18.131   2.105
  240    H    ALA  27           H        ALA  27   2.863 -15.604  -1.087
  241    HA   ALA  27           HA       ALA  27   3.414 -16.144  -3.832
  242   1HB   ALA  27          2HB       ALA  27   1.826 -14.438  -3.002
  243   2HB   ALA  27          3HB       ALA  27   3.178 -13.463  -2.415
  244   3HB   ALA  27          1HB       ALA  27   3.005 -13.761  -4.157
  245    H    TYR  28           H        TYR  28   5.233 -14.136  -1.421
  246    HA   TYR  28           HA       TYR  28   7.367 -13.407  -3.043
  247   1HB   TYR  28          1HB       TYR  28   6.713 -13.051  -0.411
  248   2HB   TYR  28          2HB       TYR  28   8.019 -14.199  -0.218
  249    HD1  TYR  28          1HD       TYR  28  10.294 -13.599  -1.421
  250    HD2  TYR  28          2HD       TYR  28   7.099 -10.828  -0.752
  251    HE1  TYR  28          1HE       TYR  28  11.847 -11.714  -1.853
  252    HE2  TYR  28          2HE       TYR  28   8.664  -8.918  -1.145
  253    HH   TYR  28           HH       TYR  28  11.023  -8.360  -1.253
  254    H    GLU  29           H        GLU  29   6.919 -16.395  -1.156
  255    HA   GLU  29           HA       GLU  29   9.490 -17.486  -1.680
  256   1HB   GLU  29          1HB       GLU  29   8.851 -19.040  -0.246
  257   2HB   GLU  29          2HB       GLU  29   7.376 -18.115  -0.028
  258   1HG   GLU  29          1HG       GLU  29   6.312 -19.617  -1.776
  259   2HG   GLU  29          2HG       GLU  29   7.800 -20.569  -1.769
  260    H    ARG  30           H        ARG  30   6.393 -17.747  -3.399
  261    HA   ARG  30           HA       ARG  30   7.330 -19.767  -5.186
  262   1HB   ARG  30          1HB       ARG  30   5.000 -19.339  -4.445
  263   2HB   ARG  30          2HB       ARG  30   4.912 -17.949  -5.536
  264   1HG   ARG  30          1HG       ARG  30   5.012 -19.353  -7.470
  265   2HG   ARG  30          2HG       ARG  30   5.802 -20.669  -6.586
  266   1HD   ARG  30          1HD       ARG  30   3.482 -21.242  -7.049
  267   2HD   ARG  30          2HD       ARG  30   3.809 -21.135  -5.313
  268    HE   ARG  30           HE       ARG  30   2.777 -18.612  -6.393
  269   1HH1  ARG  30          2HH2      ARG  30   1.824 -21.747  -5.013
  270   2HH1  ARG  30          1HH2      ARG  30   0.120 -21.415  -5.148
  271   1HH2  ARG  30          2HH1      ARG  30   0.674 -18.044  -6.166
  272   2HH2  ARG  30          1HH1      ARG  30  -0.512 -19.155  -5.454
  273    H    GLN  31           H        GLN  31   6.637 -16.262  -5.705
  274    HA   GLN  31           HA       GLN  31   8.879 -15.934  -7.485
  275   1HB   GLN  31          1HB       GLN  31   7.469 -15.309  -9.507
  276   2HB   GLN  31          2HB       GLN  31   7.692 -17.025  -9.182
  277   1HG   GLN  31          1HG       GLN  31   5.420 -17.155  -8.190
  278   2HG   GLN  31          2HG       GLN  31   5.223 -15.430  -8.487
  279   1HE2  GLN  31          2HE2      GLN  31   3.732 -16.071 -11.580
  280   2HE2  GLN  31          1HE2      GLN  31   4.007 -15.028 -10.206
  281    H    LYS  32           H        LYS  32   9.395 -14.173  -6.135
  282    HA   LYS  32           HA       LYS  32   7.415 -12.213  -5.494
  283   1HB   LYS  32          1HB       LYS  32   8.943 -11.031  -4.317
  284   2HB   LYS  32          2HB       LYS  32   9.485 -12.688  -4.143
  285   1HG   LYS  32          1HG       LYS  32  10.685 -10.570  -6.016
  286   2HG   LYS  32          2HG       LYS  32  11.273 -10.923  -4.411
  287   1HD   LYS  32          1HD       LYS  32  11.164 -13.022  -6.605
  288   2HD   LYS  32          2HD       LYS  32  12.538 -11.946  -6.341
  289   1HE   LYS  32          1HE       LYS  32  12.867 -12.759  -4.062
  290   2HE   LYS  32          2HE       LYS  32  11.445 -13.817  -4.182
  291   1HZ   LYS  32          2HZ       LYS  32  13.847 -14.056  -5.864
  292   2HZ   LYS  32          3HZ       LYS  32  13.533 -15.023  -4.582
  293   3HZ   LYS  32          1HZ       LYS  32  12.523 -15.049  -5.869
  294    H    ASN  33           H        ASN  33   8.282 -12.724  -8.494
  295    HA   ASN  33           HA       ASN  33   8.222  -9.900  -9.392
  296   1HB   ASN  33          1HB       ASN  33   8.278 -10.850 -11.667
  297   2HB   ASN  33          2HB       ASN  33   9.740 -11.092 -10.715
  298   1HD2  ASN  33          2HD2      ASN  33   9.509 -14.661 -10.605
  299   2HD2  ASN  33          1HD2      ASN  33  10.085 -13.240  -9.735
  300    HA   PRO  34           HA       PRO  34   3.863 -11.100  -8.831
  301   1HB   PRO  34          1HB       PRO  34   2.730  -8.673  -8.507
  302   2HB   PRO  34          2HB       PRO  34   3.908  -9.297  -7.324
  303   1HG   PRO  34          1HG       PRO  34   4.525  -7.405  -9.617
  304   2HG   PRO  34          2HG       PRO  34   4.877  -7.180  -7.879
  305   1HD   PRO  34          1HD       PRO  34   6.724  -8.240  -9.569
  306   2HD   PRO  34          2HD       PRO  34   6.519  -8.840  -7.890
  307    H    SER  35           H        SER  35   4.249 -11.876 -11.175
  308    HA   SER  35           HA       SER  35   4.005 -10.154 -13.345
  309   1HB   SER  35          1HB       SER  35   3.410 -13.122 -13.135
  310   2HB   SER  35          2HB       SER  35   3.640 -12.246 -14.657
  311    HG   SER  35           HG       SER  35   5.551 -13.265 -13.503
  312    H    LYS  36           H        LYS  36   1.330 -12.429 -12.454
  313    HA   LYS  36           HA       LYS  36  -0.678 -10.338 -12.851
  314   1HB   LYS  36          1HB       LYS  36  -0.104 -10.897 -15.184
  315   2HB   LYS  36          2HB       LYS  36  -0.329 -12.606 -14.852
  316   1HG   LYS  36          1HG       LYS  36  -2.769 -11.313 -14.051
  317   2HG   LYS  36          2HG       LYS  36  -2.315 -10.559 -15.569
  318   1HD   LYS  36          1HD       LYS  36  -2.467 -13.579 -15.094
  319   2HD   LYS  36          2HD       LYS  36  -3.771 -12.618 -15.792
  320   1HE   LYS  36          1HE       LYS  36  -2.664 -12.177 -17.772
  321   2HE   LYS  36          2HE       LYS  36  -1.048 -12.393 -17.107
  322   1HZ   LYS  36          1HZ       LYS  36  -2.843 -14.715 -17.387
  323   2HZ   LYS  36          2HZ       LYS  36  -1.865 -14.181 -18.604
  324   3HZ   LYS  36          3HZ       LYS  36  -1.236 -14.682 -17.166
  325    H    GLU  37           H        GLU  37  -0.583 -13.908 -13.305
  326    HA   GLU  37           HA       GLU  37  -2.875 -14.488 -11.815
  327   1HB   GLU  37          1HB       GLU  37  -1.524 -16.094 -13.273
  328   2HB   GLU  37          2HB       GLU  37  -0.386 -16.248 -11.916
  329   1HG   GLU  37          1HG       GLU  37  -2.443 -16.908 -10.492
  330   2HG   GLU  37          2HG       GLU  37  -3.317 -17.049 -12.018
  331    H    GLU  38           H        GLU  38   0.496 -14.299 -10.827
  332    HA   GLU  38           HA       GLU  38   0.056 -14.645  -8.007
  333   1HB   GLU  38          1HB       GLU  38   2.154 -15.115  -9.600
  334   2HB   GLU  38          2HB       GLU  38   2.617 -13.494  -9.095
  335   1HG   GLU  38          1HG       GLU  38   3.586 -14.744  -7.370
  336   2HG   GLU  38          2HG       GLU  38   2.031 -14.407  -6.667
  337    H    ARG  39           H        ARG  39  -1.618 -12.901  -8.586
  338    HA   ARG  39           HA       ARG  39  -1.064 -10.804  -6.759
  339   1HB   ARG  39          1HB       ARG  39  -2.052  -9.990  -9.542
  340   2HB   ARG  39          2HB       ARG  39  -2.084  -8.981  -8.087
  341   1HG   ARG  39          1HG       ARG  39   0.415  -9.072  -8.030
  342   2HG   ARG  39          2HG       ARG  39   0.343  -9.973  -9.575
  343   1HD   ARG  39          1HD       ARG  39  -1.217  -8.068 -10.395
  344   2HD   ARG  39          2HD       ARG  39  -0.592  -7.122  -9.016
  345    HE   ARG  39           HE       ARG  39   1.557  -8.332 -10.351
  346   1HH1  ARG  39          2HH2      ARG  39  -0.949  -5.912 -11.155
  347   2HH1  ARG  39          1HH2      ARG  39  -0.003  -5.208 -12.455
  348   1HH2  ARG  39          2HH1      ARG  39   2.530  -7.697 -12.218
  349   2HH2  ARG  39          1HH1      ARG  39   1.876  -6.498 -13.302
  350    H    GLU  40           H        GLU  40  -3.238 -11.693  -9.472
  351    HA   GLU  40           HA       GLU  40  -5.692 -11.136  -8.255
  352   1HB   GLU  40          1HB       GLU  40  -4.690 -12.506 -10.591
  353   2HB   GLU  40          2HB       GLU  40  -6.027 -13.406  -9.893
  354   1HG   GLU  40          1HG       GLU  40  -6.926 -11.799 -11.492
  355   2HG   GLU  40          2HG       GLU  40  -7.386 -11.259  -9.870
  356    H    THR  41           H        THR  41  -3.763 -14.107  -8.328
  357    HA   THR  41           HA       THR  41  -5.020 -15.884  -6.637
  358    HB   THR  41           HB       THR  41  -2.196 -15.040  -7.095
  359    HG1  THR  41          1HG       THR  41  -2.114 -16.896  -8.220
  360   1HG2  THR  41          3HG2      THR  41  -3.015 -17.110  -5.084
  361   2HG2  THR  41          1HG2      THR  41  -1.414 -17.028  -5.877
  362   3HG2  THR  41          2HG2      THR  41  -1.954 -15.708  -4.872
  363    H    LEU  42           H        LEU  42  -2.860 -13.114  -5.684
  364    HA   LEU  42           HA       LEU  42  -2.954 -13.908  -2.982
  365   1HB   LEU  42          1HB       LEU  42  -2.049 -11.357  -4.404
  366   2HB   LEU  42          2HB       LEU  42  -2.084 -11.544  -2.671
  367    HG   LEU  42           HG       LEU  42  -0.660 -13.716  -3.055
  368   1HD1  LEU  42          1HD1      LEU  42  -0.850 -13.631  -5.595
  369   2HD1  LEU  42          2HD1      LEU  42   0.127 -12.144  -5.522
  370   3HD1  LEU  42          3HD1      LEU  42   0.787 -13.677  -4.953
  371   1HD2  LEU  42          1HD2      LEU  42   0.280 -10.839  -3.347
  372   2HD2  LEU  42          2HD2      LEU  42   0.087 -11.776  -1.848
  373   3HD2  LEU  42          3HD2      LEU  42   1.373 -12.177  -2.999
  374    H    VAL  43           H        VAL  43  -4.801 -11.550  -4.936
  375    HA   VAL  43           HA       VAL  43  -6.080 -10.435  -2.612
  376    HB   VAL  43           HB       VAL  43  -7.264 -10.329  -5.397
  377   1HG1  VAL  43          3HG1      VAL  43  -8.576  -9.495  -3.399
  378   2HG1  VAL  43          1HG1      VAL  43  -7.223  -8.458  -2.956
  379   3HG1  VAL  43          2HG1      VAL  43  -8.111  -8.152  -4.459
  380   1HG2  VAL  43          2HG2      VAL  43  -4.873  -9.538  -5.538
  381   2HG2  VAL  43          3HG2      VAL  43  -6.063  -8.276  -5.760
  382   3HG2  VAL  43          1HG2      VAL  43  -5.195  -8.415  -4.209
  383    H    GLU  44           H        GLU  44  -7.094 -12.990  -4.962
  384    HA   GLU  44           HA       GLU  44  -9.609 -13.629  -3.787
  385   1HB   GLU  44          1HB       GLU  44  -9.159 -14.617  -5.871
  386   2HB   GLU  44          2HB       GLU  44  -7.530 -15.109  -5.384
  387   1HG   GLU  44          1HG       GLU  44  -8.992 -17.027  -5.736
  388   2HG   GLU  44          2HG       GLU  44  -8.324 -16.971  -4.111
  389    H    GLU  45           H        GLU  45  -6.475 -15.237  -3.291
  390    HA   GLU  45           HA       GLU  45  -7.296 -16.957  -1.309
  391   1HB   GLU  45          1HB       GLU  45  -5.167 -16.854  -2.751
  392   2HB   GLU  45          2HB       GLU  45  -4.475 -15.828  -1.504
  393   1HG   GLU  45          1HG       GLU  45  -3.841 -18.229  -1.312
  394   2HG   GLU  45          2HG       GLU  45  -4.717 -17.670   0.111
  395    H    CYS  46           H        CYS  46  -5.945 -13.724  -0.995
  396    HA   CYS  46           HA       CYS  46  -5.895 -13.609   1.868
  397   1HB   CYS  46          1HB       CYS  46  -4.831 -11.812   0.579
  398   2HB   CYS  46          2HB       CYS  46  -6.340 -11.448  -0.235
  399    HG   CYS  46           HG       CYS  46  -5.653 -11.155   2.997
  400    H    ASN  47           H        ASN  47  -8.317 -12.180  -0.398
  401    HA   ASN  47           HA       ASN  47 -10.352 -11.367   1.241
  402   1HB   ASN  47          1HB       ASN  47 -10.403 -12.687  -1.506
  403   2HB   ASN  47          2HB       ASN  47 -11.914 -12.398  -0.688
  404   1HD2  ASN  47          2HD2      ASN  47 -11.552  -8.766  -0.863
  405   2HD2  ASN  47          1HD2      ASN  47 -12.042  -9.969   0.322
  406    H    ARG  48           H        ARG  48 -10.020 -14.585  -0.132
  407    HA   ARG  48           HA       ARG  48 -12.140 -16.043   0.976
  408   1HB   ARG  48          1HB       ARG  48 -10.615 -16.636  -0.825
  409   2HB   ARG  48          2HB       ARG  48  -9.304 -16.881   0.322
  410   1HG   ARG  48          1HG       ARG  48 -10.624 -18.682   1.434
  411   2HG   ARG  48          2HG       ARG  48 -11.952 -18.364   0.293
  412   1HD   ARG  48          1HD       ARG  48 -10.090 -18.694  -1.556
  413   2HD   ARG  48          2HD       ARG  48  -9.178 -19.478  -0.282
  414    HE   ARG  48           HE       ARG  48 -11.170 -20.951   0.101
  415   1HH1  ARG  48          2HH2      ARG  48 -10.972 -19.417  -3.139
  416   2HH1  ARG  48          1HH2      ARG  48 -11.512 -20.890  -3.915
  417   1HH2  ARG  48          2HH1      ARG  48 -12.071 -22.634  -0.909
  418   2HH2  ARG  48          1HH1      ARG  48 -12.638 -22.466  -2.595
  419    H    ALA  49           H        ALA  49  -8.770 -15.674   2.195
  420    HA   ALA  49           HA       ALA  49  -9.228 -17.097   4.613
  421   1HB   ALA  49          2HB       ALA  49  -6.951 -16.613   3.757
  422   2HB   ALA  49          3HB       ALA  49  -7.179 -14.892   4.150
  423   3HB   ALA  49          1HB       ALA  49  -7.163 -16.104   5.442
  424    H    GLU  50           H        GLU  50  -9.518 -13.591   3.949
  425    HA   GLU  50           HA       GLU  50 -10.199 -12.912   6.660
  426   1HB   GLU  50          1HB       GLU  50 -10.723 -11.640   4.005
  427   2HB   GLU  50          2HB       GLU  50 -11.083 -10.862   5.567
  428   1HG   GLU  50          1HG       GLU  50  -8.273 -11.825   4.885
  429   2HG   GLU  50          2HG       GLU  50  -8.883 -10.272   4.329
  430    H    CYS  51           H        CYS  51 -12.038 -14.072   3.859
  431    HA   CYS  51           HA       CYS  51 -14.640 -13.690   4.929
  432   1HB   CYS  51          1HB       CYS  51 -15.341 -14.389   2.977
  433   2HB   CYS  51          2HB       CYS  51 -13.661 -14.609   2.501
  434    HG   CYS  51           HG       CYS  51 -13.485 -17.097   3.163
  435    H    ILE  52           H        ILE  52 -12.203 -16.234   5.394
  436    HA   ILE  52           HA       ILE  52 -13.971 -17.878   7.032
  437    HB   ILE  52           HB       ILE  52 -10.949 -17.778   6.801
  438   1HG1  ILE  52          1HG1      ILE  52 -13.004 -19.829   5.886
  439   2HG1  ILE  52          2HG1      ILE  52 -12.316 -18.589   4.832
  440   1HG2  ILE  52          3HG2      ILE  52 -11.564 -18.503   9.072
  441   2HG2  ILE  52          1HG2      ILE  52 -12.651 -19.729   8.377
  442   3HG2  ILE  52          2HG2      ILE  52 -10.895 -19.816   8.120
  443   1HD1  ILE  52          1HD1      ILE  52 -10.030 -19.488   5.307
  444   2HD1  ILE  52          2HD1      ILE  52 -10.799 -20.861   6.142
  445   3HD1  ILE  52          3HD1      ILE  52 -11.103 -20.588   4.423
  446    H    GLN  53           H        GLN  53 -11.478 -15.389   7.695
  447    HA   GLN  53           HA       GLN  53 -11.593 -15.383  10.466
  448   1HB   GLN  53          1HB       GLN  53 -11.201 -12.936   8.666
  449   2HB   GLN  53          2HB       GLN  53 -10.870 -13.013  10.375
  450   1HG   GLN  53          1HG       GLN  53  -9.440 -15.157   9.785
  451   2HG   GLN  53          2HG       GLN  53  -9.436 -14.474   8.154
  452   1HE2  GLN  53          2HE2      GLN  53  -7.574 -11.490   9.363
  453   2HE2  GLN  53          1HE2      GLN  53  -9.084 -11.730   8.556
  454    H    ARG  54           H        ARG  54 -13.718 -13.495   8.317
  455    HA   ARG  54           HA       ARG  54 -15.382 -12.696  10.699
  456   1HB   ARG  54          1HB       ARG  54 -14.942 -11.526   7.942
  457   2HB   ARG  54          2HB       ARG  54 -16.228 -10.981   9.045
  458   1HG   ARG  54          1HG       ARG  54 -14.691 -10.183  10.662
  459   2HG   ARG  54          2HG       ARG  54 -13.308 -10.997   9.912
  460   1HD   ARG  54          1HD       ARG  54 -13.471  -8.484   9.455
  461   2HD   ARG  54          2HD       ARG  54 -13.243  -9.545   8.077
  462    HE   ARG  54           HE       ARG  54 -15.462  -9.373   7.418
  463   1HH1  ARG  54          2HH2      ARG  54 -14.922  -7.251  10.219
  464   2HH1  ARG  54          1HH2      ARG  54 -16.391  -6.387   9.965
  465   1HH2  ARG  54          2HH1      ARG  54 -17.460  -8.064   7.165
  466   2HH2  ARG  54          1HH1      ARG  54 -17.459  -6.476   7.852
  467    H    GLY  55           H        GLY  55 -15.389 -15.355   9.072
  468   1HA   GLY  55          1HA       GLY  55 -16.875 -16.746   8.042
  469   2HA   GLY  55          2HA       GLY  55 -17.974 -16.120   9.267
  470    H    VAL  56           H        VAL  56 -16.594 -14.512   6.364
  471    HA   VAL  56           HA       VAL  56 -19.302 -13.570   5.644
  472    HB   VAL  56           HB       VAL  56 -16.678 -12.964   4.246
  473   1HG1  VAL  56          3HG1      VAL  56 -19.485 -11.761   4.028
  474   2HG1  VAL  56          1HG1      VAL  56 -18.023 -11.015   3.361
  475   3HG1  VAL  56          2HG1      VAL  56 -18.573 -12.552   2.729
  476   1HG2  VAL  56          1HG2      VAL  56 -18.316 -11.570   6.370
  477   2HG2  VAL  56          2HG2      VAL  56 -16.594 -12.031   6.432
  478   3HG2  VAL  56          3HG2      VAL  56 -17.131 -10.709   5.369
  479    H    SER  57           H        SER  57 -20.218 -13.973   3.669
  480    HA   SER  57           HA       SER  57 -20.226 -16.522   2.505
  481   1HB   SER  57          1HB       SER  57 -21.291 -13.873   2.112
  482   2HB   SER  57          2HB       SER  57 -20.856 -14.556   0.537
  483    HG   SER  57           HG       SER  57 -22.530 -15.692   2.492
  484    HA   PRO  58           HA       PRO  58 -16.070 -15.853   0.465
  485   1HB   PRO  58          1HB       PRO  58 -16.321 -17.955  -1.388
  486   2HB   PRO  58          2HB       PRO  58 -15.547 -18.005   0.222
  487   1HG   PRO  58          1HG       PRO  58 -18.370 -18.786  -0.506
  488   2HG   PRO  58          2HG       PRO  58 -17.235 -19.657   0.555
  489   1HD   PRO  58          1HD       PRO  58 -19.115 -18.144   1.676
  490   2HD   PRO  58          2HD       PRO  58 -17.452 -17.985   2.280
  491    H    SER  59           H        SER  59 -19.156 -16.440  -1.237
  492    HA   SER  59           HA       SER  59 -18.446 -15.185  -3.681
  493   1HB   SER  59          1HB       SER  59 -20.886 -14.745  -3.923
  494   2HB   SER  59          2HB       SER  59 -20.478 -16.428  -3.588
  495    HG   SER  59           HG       SER  59 -22.256 -15.637  -2.343
  496    H    GLN  60           H        GLN  60 -19.212 -13.779  -0.594
  497    HA   GLN  60           HA       GLN  60 -18.973 -11.037  -1.728
  498   1HB   GLN  60          1HB       GLN  60 -20.490 -12.027   0.744
  499   2HB   GLN  60          2HB       GLN  60 -20.273 -10.338   0.316
  500   1HG   GLN  60          1HG       GLN  60 -21.381 -10.899  -1.946
  501   2HG   GLN  60          2HG       GLN  60 -21.843 -12.444  -1.215
  502   1HE2  GLN  60          2HE2      GLN  60 -24.791 -10.795  -0.083
  503   2HE2  GLN  60          1HE2      GLN  60 -24.085 -12.174  -0.922
  504    H    ALA  61           H        ALA  61 -16.792 -12.910  -0.964
  505    HA   ALA  61           HA       ALA  61 -15.699 -11.970   1.516
  506   1HB   ALA  61          2HB       ALA  61 -14.889 -14.038   0.461
  507   2HB   ALA  61          3HB       ALA  61 -14.200 -13.094  -0.875
  508   3HB   ALA  61          1HB       ALA  61 -13.591 -12.894   0.780
  509    H    GLN  62           H        GLN  62 -16.047 -10.324  -1.507
  510    HA   GLN  62           HA       GLN  62 -13.994  -8.383  -0.869
  511   1HB   GLN  62          1HB       GLN  62 -16.217  -8.545  -2.842
  512   2HB   GLN  62          2HB       GLN  62 -15.367  -7.018  -2.656
  513   1HG   GLN  62          1HG       GLN  62 -13.783  -9.568  -3.143
  514   2HG   GLN  62          2HG       GLN  62 -14.586  -8.740  -4.475
  515   1HE2  GLN  62          2HE2      GLN  62 -11.058  -7.260  -3.256
  516   2HE2  GLN  62          1HE2      GLN  62 -11.609  -8.886  -2.946
  517    H    GLY  63           H        GLY  63 -16.645  -9.066   0.910
  518   1HA   GLY  63          1HA       GLY  63 -17.383  -6.232   1.541
  519   2HA   GLY  63          2HA       GLY  63 -18.397  -7.670   1.720
  520    H    LEU  64           H        LEU  64 -15.032  -6.979   2.643
  521    HA   LEU  64           HA       LEU  64 -15.516  -8.080   5.372
  522   1HB   LEU  64          1HB       LEU  64 -12.965  -7.275   3.961
  523   2HB   LEU  64          2HB       LEU  64 -13.068  -8.210   5.457
  524    HG   LEU  64           HG       LEU  64 -14.343  -9.242   2.909
  525   1HD1  LEU  64          3HD1      LEU  64 -11.425  -9.386   3.778
  526   2HD1  LEU  64          1HD1      LEU  64 -12.152 -10.515   2.608
  527   3HD1  LEU  64          2HD1      LEU  64 -12.071  -8.787   2.242
  528   1HD2  LEU  64          2HD2      LEU  64 -13.302 -10.649   5.351
  529   2HD2  LEU  64          3HD2      LEU  64 -14.994 -10.378   4.884
  530   3HD2  LEU  64          1HD2      LEU  64 -13.963 -11.406   3.878
  531    H    GLY  65           H        GLY  65 -16.448  -5.353   4.510
  532   1HA   GLY  65          1HA       GLY  65 -16.312  -3.191   4.946
  533   2HA   GLY  65          2HA       GLY  65 -16.057  -3.707   6.629
  534    H    SER  66           H        SER  66 -13.845  -3.752   7.413
  535    HA   SER  66           HA       SER  66 -12.257  -1.688   6.037
  536   1HB   SER  66          1HB       SER  66 -12.648  -1.360   8.432
  537   2HB   SER  66          2HB       SER  66 -11.825  -2.900   8.769
  538    HG   SER  66           HG       SER  66  -9.975  -2.060   8.343
  539    H    ASN  67           H        ASN  67 -12.133  -5.124   6.933
  540    HA   ASN  67           HA       ASN  67  -9.265  -5.337   6.358
  541   1HB   ASN  67          1HB       ASN  67 -11.250  -7.606   6.755
  542   2HB   ASN  67          2HB       ASN  67  -9.490  -7.675   6.845
  543   1HD2  ASN  67          2HD2      ASN  67 -11.642  -6.164  10.010
  544   2HD2  ASN  67          1HD2      ASN  67 -12.424  -6.531   8.480
  545    H    LEU  68           H        LEU  68 -11.188  -4.410   4.166
  546    HA   LEU  68           HA       LEU  68 -11.254  -6.665   2.321
  547   1HB   LEU  68          1HB       LEU  68 -13.067  -5.173   2.191
  548   2HB   LEU  68          2HB       LEU  68 -12.023  -3.742   2.020
  549    HG   LEU  68           HG       LEU  68 -11.153  -4.737  -0.176
  550   1HD1  LEU  68          2HD1      LEU  68 -13.207  -6.843   0.559
  551   2HD1  LEU  68          3HD1      LEU  68 -12.626  -6.578  -1.105
  552   3HD1  LEU  68          1HD1      LEU  68 -11.499  -7.076   0.155
  553   1HD2  LEU  68          2HD2      LEU  68 -14.067  -4.173   0.163
  554   2HD2  LEU  68          3HD2      LEU  68 -12.754  -3.094  -0.380
  555   3HD2  LEU  68          1HD2      LEU  68 -13.289  -4.407  -1.432
  556    H    VAL  69           H        VAL  69  -9.486  -7.209   1.468
  557    HA   VAL  69           HA       VAL  69  -7.306  -5.403   0.720
  558    HB   VAL  69           HB       VAL  69  -6.810  -7.695   1.422
  559   1HG1  VAL  69          3HG1      VAL  69  -8.527  -8.499  -0.930
  560   2HG1  VAL  69          1HG1      VAL  69  -7.297  -9.515  -0.240
  561   3HG1  VAL  69          2HG1      VAL  69  -8.643  -8.956   0.780
  562   1HG2  VAL  69          1HG2      VAL  69  -6.076  -7.061  -1.460
  563   2HG2  VAL  69          2HG2      VAL  69  -5.221  -6.557   0.018
  564   3HG2  VAL  69          3HG2      VAL  69  -5.295  -8.266  -0.419
  565    H    THR  70           H        THR  70  -7.328  -4.237  -1.109
  566    HA   THR  70           HA       THR  70  -8.965  -5.114  -3.436
  567    HB   THR  70           HB       THR  70  -8.763  -2.704  -4.049
  568    HG1  THR  70          1HG       THR  70  -6.926  -2.231  -2.731
  569   1HG2  THR  70          2HG2      THR  70 -10.697  -3.703  -2.599
  570   2HG2  THR  70          3HG2      THR  70  -9.893  -2.970  -1.208
  571   3HG2  THR  70          1HG2      THR  70 -10.464  -1.948  -2.541
  572    H    GLU  71           H        GLU  71  -7.818  -5.212  -5.444
  573    HA   GLU  71           HA       GLU  71  -5.395  -6.240  -5.785
  574   1HB   GLU  71          1HB       GLU  71  -6.644  -4.003  -7.400
  575   2HB   GLU  71          2HB       GLU  71  -5.215  -4.869  -7.955
  576   1HG   GLU  71          1HG       GLU  71  -6.352  -6.772  -8.492
  577   2HG   GLU  71          2HG       GLU  71  -7.501  -6.630  -7.165
  578    H    VAL  72           H        VAL  72  -5.660  -2.642  -5.774
  579    HA   VAL  72           HA       VAL  72  -3.008  -2.144  -6.117
  580    HB   VAL  72           HB       VAL  72  -4.928  -0.485  -5.899
  581   1HG1  VAL  72          3HG1      VAL  72  -5.546  -0.970  -3.503
  582   2HG1  VAL  72          1HG1      VAL  72  -4.000  -0.266  -2.990
  583   3HG1  VAL  72          2HG1      VAL  72  -5.196   0.744  -3.798
  584   1HG2  VAL  72          2HG2      VAL  72  -2.567   0.172  -6.376
  585   2HG2  VAL  72          3HG2      VAL  72  -3.441   1.403  -5.448
  586   3HG2  VAL  72          1HG2      VAL  72  -2.279   0.345  -4.635
  587    H    ARG  73           H        ARG  73  -4.417  -3.326  -3.089
  588    HA   ARG  73           HA       ARG  73  -2.340  -2.520  -1.313
  589   1HB   ARG  73          1HB       ARG  73  -4.027  -5.060  -1.340
  590   2HB   ARG  73          2HB       ARG  73  -3.110  -4.464   0.042
  591   1HG   ARG  73          1HG       ARG  73  -5.367  -2.894  -1.277
  592   2HG   ARG  73          2HG       ARG  73  -5.551  -4.004   0.069
  593   1HD   ARG  73          1HD       ARG  73  -3.711  -1.555   0.056
  594   2HD   ARG  73          2HD       ARG  73  -5.371  -1.550   0.640
  595    HE   ARG  73           HE       ARG  73  -3.830  -3.624   1.932
  596   1HH1  ARG  73          2HH2      ARG  73  -4.050  -0.155   1.866
  597   2HH1  ARG  73          1HH2      ARG  73  -5.001  -0.026   3.294
  598   1HH2  ARG  73          2HH1      ARG  73  -4.282  -3.439   4.222
  599   2HH2  ARG  73          1HH1      ARG  73  -4.390  -1.920   4.998
  600    H    VAL  74           H        VAL  74  -2.726  -5.491  -3.325
  601    HA   VAL  74           HA       VAL  74  -0.270  -6.640  -2.326
  602    HB   VAL  74           HB       VAL  74  -1.978  -7.102  -4.858
  603   1HG1  VAL  74          2HG1      VAL  74   0.430  -8.644  -3.844
  604   2HG1  VAL  74          3HG1      VAL  74  -0.732  -9.286  -5.025
  605   3HG1  VAL  74          1HG1      VAL  74   0.238  -7.869  -5.431
  606   1HG2  VAL  74          2HG2      VAL  74  -3.024  -7.726  -2.632
  607   2HG2  VAL  74          3HG2      VAL  74  -2.802  -9.078  -3.752
  608   3HG2  VAL  74          1HG2      VAL  74  -1.672  -8.867  -2.406
  609    H    TYR  75           H        TYR  75  -1.218  -4.857  -5.287
  610    HA   TYR  75           HA       TYR  75   1.213  -4.825  -6.632
  611   1HB   TYR  75          1HB       TYR  75  -1.184  -3.787  -7.168
  612   2HB   TYR  75          2HB       TYR  75  -0.517  -2.313  -6.525
  613    HD1  TYR  75          1HD       TYR  75   2.357  -2.445  -7.550
  614    HD2  TYR  75          2HD       TYR  75  -1.444  -3.239  -9.453
  615    HE1  TYR  75          1HE       TYR  75   3.394  -2.167  -9.727
  616    HE2  TYR  75          2HE       TYR  75  -0.417  -2.784 -11.640
  617    HH   TYR  75           HH       TYR  75   1.632  -2.720 -12.740
  618    H    ASN  76           H        ASN  76  -0.010  -2.339  -4.516
  619    HA   ASN  76           HA       ASN  76   2.113  -0.631  -4.058
  620   1HB   ASN  76          1HB       ASN  76  -0.182  -0.215  -3.358
  621   2HB   ASN  76          2HB       ASN  76  -0.138  -1.608  -2.252
  622   1HD2  ASN  76          2HD2      ASN  76  -0.032   1.278  -0.109
  623   2HD2  ASN  76          1HD2      ASN  76  -1.145   0.570  -1.261
  624    H    TRP  77           H        TRP  77   1.264  -3.662  -2.296
  625    HA   TRP  77           HA       TRP  77   3.294  -3.397  -0.344
  626   1HB   TRP  77          1HB       TRP  77   1.271  -4.763  -0.147
  627   2HB   TRP  77          2HB       TRP  77   1.901  -5.927  -1.299
  628    HD1  TRP  77           HD       TRP  77   1.616  -5.207   2.176
  629    HE1  TRP  77          1HE       TRP  77   3.145  -6.674   3.676
  630    HE3  TRP  77          3HE       TRP  77   4.602  -7.192  -1.439
  631    HZ2  TRP  77          2HZ       TRP  77   5.241  -8.750   3.207
  632    HZ3  TRP  77          3HZ       TRP  77   6.082  -8.976  -0.967
  633    HH2  TRP  77           HH       TRP  77   6.251  -9.983   1.315
  634    H    PHE  78           H        PHE  78   3.244  -5.423  -3.370
  635    HA   PHE  78           HA       PHE  78   5.962  -6.297  -2.986
  636   1HB   PHE  78          1HB       PHE  78   4.067  -6.369  -5.324
  637   2HB   PHE  78          2HB       PHE  78   5.782  -6.682  -5.567
  638    HD1  PHE  78          1HD       PHE  78   2.746  -7.923  -3.821
  639    HD2  PHE  78          2HD       PHE  78   6.922  -8.641  -4.664
  640    HE1  PHE  78          1HE       PHE  78   2.603 -10.132  -2.720
  641    HE2  PHE  78          2HE       PHE  78   6.756 -10.842  -3.543
  642    HZ   PHE  78           HZ       PHE  78   4.619 -11.580  -2.541
  643    H    ALA  79           H        ALA  79   4.587  -3.611  -4.891
  644    HA   ALA  79           HA       ALA  79   7.035  -2.610  -5.922
  645   1HB   ALA  79          1HB       ALA  79   4.521  -1.102  -5.089
  646   2HB   ALA  79          2HB       ALA  79   5.842  -0.460  -6.090
  647   3HB   ALA  79          3HB       ALA  79   4.853  -1.806  -6.684
  648    H    ASN  80           H        ASN  80   5.416  -2.163  -2.766
  649    HA   ASN  80           HA       ASN  80   7.201  -0.143  -1.783
  650   1HB   ASN  80          1HB       ASN  80   5.004  -0.435  -0.745
  651   2HB   ASN  80          2HB       ASN  80   5.443  -2.054  -0.190
  652   1HD2  ASN  80          2HD2      ASN  80   7.706  -0.783   2.375
  653   2HD2  ASN  80          1HD2      ASN  80   7.492  -2.128   1.297
  654    H    ARG  81           H        ARG  81   7.085  -3.715  -1.507
  655    HA   ARG  81           HA       ARG  81   9.282  -4.065   0.283
  656   1HB   ARG  81          1HB       ARG  81   7.708  -5.720  -1.661
  657   2HB   ARG  81          2HB       ARG  81   9.354  -6.257  -1.391
  658   1HG   ARG  81          1HG       ARG  81   7.758  -7.338   0.152
  659   2HG   ARG  81          2HG       ARG  81   9.033  -6.462   0.943
  660   1HD   ARG  81          1HD       ARG  81   7.319  -4.513   1.122
  661   2HD   ARG  81          2HD       ARG  81   6.116  -5.712   0.770
  662    HE   ARG  81           HE       ARG  81   7.427  -6.984   2.758
  663   1HH1  ARG  81          2HH2      ARG  81   6.419  -3.585   2.694
  664   2HH1  ARG  81          1HH2      ARG  81   6.835  -3.291   4.345
  665   1HH2  ARG  81          2HH1      ARG  81   7.597  -6.775   4.908
  666   2HH2  ARG  81          1HH1      ARG  81   7.106  -5.307   5.746
  667    H    ARG  82           H        ARG  82   9.331  -4.340  -3.325
  668    HA   ARG  82           HA       ARG  82  12.193  -4.250  -3.264
  669   1HB   ARG  82          1HB       ARG  82  12.194  -4.054  -5.608
  670   2HB   ARG  82          2HB       ARG  82  10.989  -5.244  -5.105
  671   1HG   ARG  82          1HG       ARG  82   9.192  -3.515  -5.500
  672   2HG   ARG  82          2HG       ARG  82  10.437  -2.398  -6.097
  673   1HD   ARG  82          1HD       ARG  82  11.167  -4.276  -7.690
  674   2HD   ARG  82          2HD       ARG  82   9.724  -5.151  -7.155
  675    HE   ARG  82           HE       ARG  82   9.378  -2.417  -8.323
  676   1HH1  ARG  82          2HH2      ARG  82   9.066  -5.959  -8.879
  677   2HH1  ARG  82          1HH2      ARG  82   9.085  -5.720 -10.613
  678   1HH2  ARG  82          2HH1      ARG  82   8.841  -2.200 -10.461
  679   2HH2  ARG  82          1HH1      ARG  82   8.431  -3.588 -11.458
  680    H    LYS  83           H        LYS  83   9.838  -1.608  -3.207
  681    HA   LYS  83           HA       LYS  83  11.796   0.363  -3.851
  682   1HB   LYS  83          1HB       LYS  83   9.286   0.804  -3.907
  683   2HB   LYS  83          2HB       LYS  83   9.276   0.642  -2.149
  684   1HG   LYS  83          1HG       LYS  83   9.248   2.938  -2.453
  685   2HG   LYS  83          2HG       LYS  83  10.923   2.611  -2.078
  686   1HD   LYS  83          1HD       LYS  83  10.921   4.118  -3.910
  687   2HD   LYS  83          2HD       LYS  83  11.388   2.574  -4.615
  688   1HE   LYS  83          1HE       LYS  83   9.343   2.331  -5.767
  689   2HE   LYS  83          2HE       LYS  83   8.429   3.228  -4.545
  690   1HZ   LYS  83          2HZ       LYS  83   9.388   5.240  -5.306
  691   2HZ   LYS  83          3HZ       LYS  83  10.205   4.438  -6.531
  692   3HZ   LYS  83          1HZ       LYS  83   8.538   4.494  -6.480
  693    H    GLU  84           H        GLU  84  10.706  -0.851  -0.684
  694    HA   GLU  84           HA       GLU  84  12.440   0.799   0.848
  695   1HB   GLU  84          1HB       GLU  84  10.465  -1.224   1.273
  696   2HB   GLU  84          2HB       GLU  84  11.935  -1.893   1.933
  697   1HG   GLU  84          1HG       GLU  84  12.111  -0.013   3.488
  698   2HG   GLU  84          2HG       GLU  84  10.930   0.926   2.562
  699    H    GLU  85           H        GLU  85  12.754  -2.165  -1.051
  700    HA   GLU  85           HA       GLU  85  15.541  -2.576  -0.128
  701   1HB   GLU  85          1HB       GLU  85  13.675  -4.385  -0.240
  702   2HB   GLU  85          2HB       GLU  85  14.036  -4.434  -1.967
  703   1HG   GLU  85          1HG       GLU  85  16.345  -5.079  -1.491
  704   2HG   GLU  85          2HG       GLU  85  16.109  -4.773   0.244
  705    H    ALA  86           H        ALA  86  14.820  -0.318  -1.735
  706    HA   ALA  86           HA       ALA  86  16.972  -0.590  -3.767
  707   1HB   ALA  86          1HB       ALA  86  14.832  -0.855  -4.992
  708   2HB   ALA  86          2HB       ALA  86  14.225   0.659  -4.330
  709   3HB   ALA  86          3HB       ALA  86  15.632   0.671  -5.409
  710    H    PHE  87           H        PHE  87  14.507   1.582  -2.561
  711    HA   PHE  87           HA       PHE  87  15.843   3.994  -2.362
  712   1HB   PHE  87          1HB       PHE  87  13.342   3.312  -2.040
  713   2HB   PHE  87          2HB       PHE  87  13.734   3.014  -0.353
  714    HD1  PHE  87          2HD       PHE  87  15.452   5.453   0.240
  715    HD2  PHE  87          1HD       PHE  87  11.667   4.963  -1.710
  716    HE1  PHE  87          2HE       PHE  87  15.278   7.930  -0.041
  717    HE2  PHE  87          1HE       PHE  87  11.310   7.405  -1.577
  718    HZ   PHE  87           HZ       PHE  87  13.239   8.898  -1.053
  719    H    ARG  88           H        ARG  88  15.353   1.544   0.348
  720    HA   ARG  88           HA       ARG  88  17.074   3.049   2.013
  721   1HB   ARG  88          1HB       ARG  88  15.454   1.425   2.926
  722   2HB   ARG  88          2HB       ARG  88  16.363   0.103   2.198
  723   1HG   ARG  88          1HG       ARG  88  17.921   1.889   4.030
  724   2HG   ARG  88          2HG       ARG  88  16.638   0.945   4.781
  725   1HD   ARG  88          1HD       ARG  88  18.890  -0.203   3.076
  726   2HD   ARG  88          2HD       ARG  88  18.799  -0.242   4.840
  727    HE   ARG  88           HE       ARG  88  16.418  -1.338   4.138
  728   1HH1  ARG  88          2HH2      ARG  88  19.749  -2.135   3.252
  729   2HH1  ARG  88          1HH2      ARG  88  19.325  -3.673   2.555
  730   1HH2  ARG  88          2HH1      ARG  88  15.952  -3.514   3.662
  731   2HH2  ARG  88          1HH1      ARG  88  17.225  -4.661   3.535
  732    H    HIS  89           H        HIS  89  17.602   0.645  -0.458
  733    HA   HIS  89           HA       HIS  89  20.143  -0.276   0.461
  734   1HB   HIS  89          1HB       HIS  89  18.366  -0.736  -1.857
  735   2HB   HIS  89          2HB       HIS  89  20.068  -0.727  -2.286
  736    HD1  HIS  89          1HD       HIS  89  21.254  -3.058  -1.804
  737    HD2  HIS  89          2HD       HIS  89  17.809  -2.317   0.496
  738    HE1  HIS  89          1HE       HIS  89  21.004  -5.032  -0.218
  739    H    LYS  90           H        LYS  90  19.231   2.530  -1.399
  740    HA   LYS  90           HA       LYS  90  22.138   3.217  -1.235
  741   1HB   LYS  90          1HB       LYS  90  21.085   3.096  -3.636
  742   2HB   LYS  90          2HB       LYS  90  20.515   4.712  -3.278
  743   1HG   LYS  90          1HG       LYS  90  23.445   4.096  -2.660
  744   2HG   LYS  90          2HG       LYS  90  22.956   4.013  -4.328
  745   1HD   LYS  90          1HD       LYS  90  23.916   6.129  -3.986
  746   2HD   LYS  90          2HD       LYS  90  22.209   6.315  -4.348
  747   1HE   LYS  90          1HE       LYS  90  22.964   7.964  -2.724
  748   2HE   LYS  90          2HE       LYS  90  21.738   6.947  -2.010
  749   1HZ   LYS  90          2HZ       LYS  90  24.600   6.592  -1.402
  750   2HZ   LYS  90          3HZ       LYS  90  23.545   7.528  -0.620
  751   3HZ   LYS  90          1HZ       LYS  90  23.251   5.963  -0.620
  752    H    LEU  91           H        LEU  91  18.889   4.822  -1.202
  753    HA   LEU  91           HA       LEU  91  20.093   7.151  -0.228
  754   1HB   LEU  91          1HB       LEU  91  17.176   6.497  -0.510
  755   2HB   LEU  91          2HB       LEU  91  17.844   8.083  -0.130
  756    HG   LEU  91           HG       LEU  91  17.290   8.351  -2.283
  757   1HD1  LEU  91          2HD1      LEU  91  19.847   8.584  -2.072
  758   2HD1  LEU  91          3HD1      LEU  91  19.894   7.057  -3.012
  759   3HD1  LEU  91          1HD1      LEU  91  19.151   8.497  -3.696
  760   1HD2  LEU  91          3HD2      LEU  91  17.971   5.454  -2.920
  761   2HD2  LEU  91          1HD2      LEU  91  16.360   6.174  -2.695
  762   3HD2  LEU  91          2HD2      LEU  91  17.357   6.653  -4.072
  763    H    ALA  92           H        ALA  92  17.094   6.346   1.409
  764    HA   ALA  92           HA       ALA  92  16.606   5.891   3.576
  765   1HB   ALA  92          3HB       ALA  92  18.554   4.017   3.077
  766   2HB   ALA  92          1HB       ALA  92  19.308   4.879   4.378
  767   3HB   ALA  92          2HB       ALA  92  17.699   4.187   4.622
  768    H    MET  93           H        MET  93  16.842   8.361   3.168
  769    HA   MET  93           HA       MET  93  17.662  10.371   3.595
  770   1HB   MET  93          1HB       MET  93  18.420   9.243   6.321
  771   2HB   MET  93          2HB       MET  93  18.182  10.944   5.963
  772   1HG   MET  93          1HG       MET  93  15.832   9.173   5.400
  773   2HG   MET  93          2HG       MET  93  16.319   9.364   7.082
  774   1HE   MET  93          2HE       MET  93  13.490  10.052   6.166
  775   2HE   MET  93          3HE       MET  93  14.030  10.369   7.829
  776   3HE   MET  93          1HE       MET  93  13.202  11.645   6.906
  777    H    ASP  94           H        ASP  94  19.657   8.372   2.538
  778    HA   ASP  94           HA       ASP  94  21.772   7.801   2.354
  779   1HB   ASP  94          1HB       ASP  94  21.558  10.533   1.568
  780   2HB   ASP  94          2HB       ASP  94  23.136  10.319   2.325
  781    H    THR  95           H        THR  95  20.824   7.707   4.970
  782    HA   THR  95           HA       THR  95  23.244   7.312   6.473
  783    HB   THR  95           HB       THR  95  22.477   8.799   8.373
  784    HG1  THR  95          1HG       THR  95  21.024  10.126   6.315
  785   1HG2  THR  95          1HG2      THR  95  24.380   9.467   6.775
  786   2HG2  THR  95          2HG2      THR  95  23.205  10.579   6.039
  787   3HG2  THR  95          3HG2      THR  95  23.612  10.730   7.750
  788    H    TYR  96           H        TYR  96  19.952   8.198   7.404
  789    HA   TYR  96           HA       TYR  96  19.846   6.044   9.357
  790   1HB   TYR  96          1HB       TYR  96  17.918   8.245   8.496
  791   2HB   TYR  96          2HB       TYR  96  17.553   7.116   9.793
  792    HD1  TYR  96          1HD       TYR  96  21.031   7.740  10.172
  793    HD2  TYR  96          2HD       TYR  96  17.181   9.656  10.623
  794    HE1  TYR  96          1HE       TYR  96  22.016   9.371  11.711
  795    HE2  TYR  96          2HE       TYR  96  18.191  11.275  12.196
  796    HH   TYR  96           HH       TYR  96  20.169  12.051  13.149
  797    H    LYS  97           H        LYS  97  17.979   4.687   9.676
  798    HA   LYS  97           HA       LYS  97  18.052   2.893   7.598
  799   1HB   LYS  97          1HB       LYS  97  16.792   1.435   9.086
  800   2HB   LYS  97          2HB       LYS  97  18.013   2.383   9.941
  801   1HG   LYS  97          1HG       LYS  97  16.090   4.029  10.527
  802   2HG   LYS  97          2HG       LYS  97  15.001   2.748   9.957
  803   1HD   LYS  97          1HD       LYS  97  16.157   1.177  11.573
  804   2HD   LYS  97          2HD       LYS  97  17.048   2.537  12.233
  805   1HE   LYS  97          1HE       LYS  97  13.992   2.248  12.171
  806   2HE   LYS  97          2HE       LYS  97  15.007   1.909  13.573
  807   1HZ   LYS  97          3HZ       LYS  97  15.631   4.266  13.576
  808   2HZ   LYS  97          1HZ       LYS  97  14.647   4.544  12.287
  809   3HZ   LYS  97          2HZ       LYS  97  14.019   4.103  13.714
  810    H    LEU  98           H        LEU  98  16.297   5.290   6.768
  811    HA   LEU  98           HA       LEU  98  14.519   5.751   5.492
  812   1HB   LEU  98          1HB       LEU  98  15.467   3.780   4.133
  813   2HB   LEU  98          2HB       LEU  98  14.150   2.829   4.799
  814    HG   LEU  98           HG       LEU  98  14.085   5.172   2.871
  815   1HD1  LEU  98          2HD1      LEU  98  12.759   2.442   2.942
  816   2HD1  LEU  98          3HD1      LEU  98  12.550   3.644   1.652
  817   3HD1  LEU  98          1HD1      LEU  98  14.148   2.947   1.956
  818   1HD2  LEU  98          1HD2      LEU  98  11.631   4.243   4.429
  819   2HD2  LEU  98          2HD2      LEU  98  12.371   5.866   4.516
  820   3HD2  LEU  98          3HD2      LEU  98  11.636   5.314   3.021
  821    H    ASN  99           H        ASN  99  13.270   6.451   7.225
  822    HA   ASN  99           HA       ASN  99  10.970   4.789   7.957
  823   1HB   ASN  99          2HB       ASN  99  11.274   5.401  10.347
  824   2HB   ASN  99          3HB       ASN  99  12.396   4.183   9.753
  825   1HD2  ASN  99          2HD2      ASN  99  14.253   7.858  10.200
  826   2HD2  ASN  99          1HD2      ASN  99  12.851   7.740   9.151
   
  No H/Q in entry =         826
  Start of MODEL    4
    1   1H    MET   0          1H        MET   0   3.871   3.375 -16.327
    2   2H    MET   0          2H        MET   0   5.276   4.127 -16.043
    3   3H    MET   0          3H        MET   0   5.259   2.539 -16.613
    4    HA   MET   0           HA       MET   0   4.464   1.703 -14.597
    5   1HB   MET   0          2HB       MET   0   6.479   3.941 -14.025
    6   2HB   MET   0          3HB       MET   0   5.943   2.777 -12.811
    7   1HG   MET   0          2HG       MET   0   8.099   2.136 -13.764
    8   2HG   MET   0          3HG       MET   0   6.843   0.928 -14.002
    9   1HE   MET   0          1HE       MET   0   9.288   3.455 -15.657
   10   2HE   MET   0          2HE       MET   0   8.774   3.440 -17.353
   11   3HE   MET   0          3HE       MET   0   7.752   4.214 -16.119
   12    H    ALA   1           H        ALA   1   3.182   2.038 -12.650
   13    HA   ALA   1           HA       ALA   1   2.041   4.777 -12.315
   14   1HB   ALA   1          3HB       ALA   1   0.577   2.115 -12.165
   15   2HB   ALA   1          1HB       ALA   1  -0.114   3.691 -11.730
   16   3HB   ALA   1          2HB       ALA   1   0.334   3.345 -13.414
   17    H    ARG   2           H        ARG   2   1.046   4.786 -10.047
   18    HA   ARG   2           HA       ARG   2   1.201   4.524  -7.810
   19   1HB   ARG   2          1HB       ARG   2   2.066   2.741  -6.742
   20   2HB   ARG   2          2HB       ARG   2   2.116   2.035  -8.342
   21   1HG   ARG   2          1HG       ARG   2   4.628   3.200  -8.270
   22   2HG   ARG   2          2HG       ARG   2   4.311   3.038  -6.545
   23   1HD   ARG   2          1HD       ARG   2   5.491   1.151  -7.164
   24   2HD   ARG   2          2HD       ARG   2   3.830   0.548  -7.061
   25    HE   ARG   2           HE       ARG   2   3.897   1.218  -9.654
   26   1HH1  ARG   2          2HH2      ARG   2   6.894   0.027  -8.079
   27   2HH1  ARG   2          1HH2      ARG   2   7.052  -1.271  -9.239
   28   1HH2  ARG   2          2HH1      ARG   2   4.437  -0.177 -11.349
   29   2HH2  ARG   2          1HH1      ARG   2   6.006  -0.969 -11.370
   30    H    ILE   3           H        ILE   3   2.558   5.594  -6.179
   31    HA   ILE   3           HA       ILE   3   5.000   6.913  -7.241
   32    HB   ILE   3           HB       ILE   3   4.437   8.719  -5.708
   33   1HG1  ILE   3          1HG1      ILE   3   1.532   7.957  -5.634
   34   2HG1  ILE   3          2HG1      ILE   3   2.589   7.247  -4.406
   35   1HG2  ILE   3          2HG2      ILE   3   3.987   8.883  -8.107
   36   2HG2  ILE   3          3HG2      ILE   3   2.369   8.193  -7.886
   37   3HG2  ILE   3          1HG2      ILE   3   2.768   9.777  -7.184
   38   1HD1  ILE   3          2HD1      ILE   3   2.328  10.208  -4.970
   39   2HD1  ILE   3          3HD1      ILE   3   1.609   9.332  -3.594
   40   3HD1  ILE   3          1HD1      ILE   3   3.371   9.477  -3.739
   41    H    ASP   4           H        ASP   4   5.831   4.768  -6.509
   42    HA   ASP   4           HA       ASP   4   6.745   3.361  -4.907
   43   1HB   ASP   4          1HB       ASP   4   8.080   6.002  -5.285
   44   2HB   ASP   4          2HB       ASP   4   8.720   4.881  -4.084
   45    HA   PRO   5           HA       PRO   5   4.459   4.897  -1.301
   46   1HB   PRO   5          1HB       PRO   5   3.320   2.544  -0.444
   47   2HB   PRO   5          2HB       PRO   5   2.717   3.505  -1.827
   48   1HG   PRO   5          1HG       PRO   5   4.556   1.101  -1.902
   49   2HG   PRO   5          2HG       PRO   5   3.077   1.373  -2.866
   50   1HD   PRO   5          1HD       PRO   5   5.527   1.898  -3.855
   51   2HD   PRO   5          2HD       PRO   5   4.154   2.993  -4.219
   52    H    THR   6           H        THR   6   6.653   5.337  -0.573
   53    HA   THR   6           HA       THR   6   6.928   4.807   2.073
   54    HB   THR   6           HB       THR   6   8.912   3.093   0.562
   55    HG1  THR   6          1HG       THR   6   7.184   1.985   1.336
   56   1HG2  THR   6          2HG2      THR   6   9.038   4.278   3.387
   57   2HG2  THR   6          3HG2      THR   6   9.992   2.891   2.844
   58   3HG2  THR   6          1HG2      THR   6  10.249   4.463   2.096
   59    H    LYS   7           H        LYS   7   7.181   6.837   2.296
   60    HA   LYS   7           HA       LYS   7   9.813   7.842   1.912
   61   1HB   LYS   7          1HB       LYS   7   9.033  10.153   1.322
   62   2HB   LYS   7          2HB       LYS   7   8.952   9.008   0.006
   63   1HG   LYS   7          1HG       LYS   7   6.649   8.905  -0.036
   64   2HG   LYS   7          2HG       LYS   7   6.441   9.445   1.641
   65   1HD   LYS   7          1HD       LYS   7   6.937  11.678   1.172
   66   2HD   LYS   7          2HD       LYS   7   7.703  11.325  -0.369
   67   1HE   LYS   7          1HE       LYS   7   4.836  10.493  -0.258
   68   2HE   LYS   7          2HE       LYS   7   5.078  12.220   0.003
   69   1HZ   LYS   7          2HZ       LYS   7   6.261  10.814  -2.311
   70   2HZ   LYS   7          3HZ       LYS   7   4.826  11.653  -2.369
   71   3HZ   LYS   7          1HZ       LYS   7   6.224  12.422  -2.006
   72    H    LYS   8           H        LYS   8   8.668  10.401   3.250
   73    HA   LYS   8           HA       LYS   8   8.531   9.086   5.847
   74   1HB   LYS   8          1HB       LYS   8  10.004  11.015   5.324
   75   2HB   LYS   8          2HB       LYS   8   8.572  12.041   5.199
   76   1HG   LYS   8          1HG       LYS   8   9.681  12.279   7.309
   77   2HG   LYS   8          2HG       LYS   8   8.047  11.679   7.548
   78   1HD   LYS   8          1HD       LYS   8  10.341   9.672   7.346
   79   2HD   LYS   8          2HD       LYS   8  10.304  10.702   8.754
   80   1HE   LYS   8          1HE       LYS   8   8.111   8.720   7.986
   81   2HE   LYS   8          2HE       LYS   8   9.259   8.628   9.309
   82   1HZ   LYS   8          3HZ       LYS   8   8.203  10.731  10.151
   83   2HZ   LYS   8          1HZ       LYS   8   7.008  10.515   9.059
   84   3HZ   LYS   8          2HZ       LYS   8   7.236   9.372  10.164
   85    H    GLY   9           H        GLY   9   6.482   8.232   6.322
   86   1HA   GLY   9          1HA       GLY   9   4.448   8.644   7.415
   87   2HA   GLY   9          2HA       GLY   9   4.286  10.215   6.624
   88    H    ARG  10           H        ARG  10   3.479   6.927   6.453
   89    HA   ARG  10           HA       ARG  10   2.234   7.241   3.774
   90   1HB   ARG  10          1HB       ARG  10   4.339   5.343   4.669
   91   2HB   ARG  10          2HB       ARG  10   3.005   4.517   3.924
   92   1HG   ARG  10          1HG       ARG  10   4.505   6.870   2.678
   93   2HG   ARG  10          2HG       ARG  10   4.829   5.159   2.365
   94   1HD   ARG  10          1HD       ARG  10   2.245   6.602   1.698
   95   2HD   ARG  10          2HD       ARG  10   3.491   6.121   0.559
   96    HE   ARG  10           HE       ARG  10   2.907   3.747   1.784
   97   1HH1  ARG  10          2HH2      ARG  10   0.966   6.194   0.053
   98   2HH1  ARG  10          1HH2      ARG  10  -0.303   5.083  -0.356
   99   1HH2  ARG  10          2HH1      ARG  10   1.236   2.227   1.080
  100   2HH2  ARG  10          1HH1      ARG  10  -0.074   2.856   0.100
  101    H    ARG  11           H        ARG  11   1.060   4.723   3.713
  102    HA   ARG  11           HA       ARG  11  -1.320   5.194   5.055
  103   1HB   ARG  11          1HB       ARG  11  -0.766   3.626   3.034
  104   2HB   ARG  11          2HB       ARG  11  -0.332   2.434   4.261
  105   1HG   ARG  11          1HG       ARG  11  -2.564   2.027   3.432
  106   2HG   ARG  11          2HG       ARG  11  -2.687   2.507   5.127
  107   1HD   ARG  11          1HD       ARG  11  -3.862   4.443   4.573
  108   2HD   ARG  11          2HD       ARG  11  -2.719   4.781   3.272
  109    HE   ARG  11           HE       ARG  11  -4.710   2.666   2.699
  110   1HH1  ARG  11          2HH2      ARG  11  -4.025   6.165   2.478
  111   2HH1  ARG  11          1HH2      ARG  11  -4.501   6.252   0.795
  112   1HH2  ARG  11          2HH1      ARG  11  -5.759   2.916   0.767
  113   2HH2  ARG  11          1HH1      ARG  11  -5.735   4.427  -0.126
  114    H    ASN  12           H        ASN  12  -2.306   4.167   6.843
  115    HA   ASN  12           HA       ASN  12  -0.611   2.492   8.660
  116   1HB   ASN  12          1HB       ASN  12  -0.572   4.679   9.638
  117   2HB   ASN  12          2HB       ASN  12  -2.329   4.869   9.474
  118   1HD2  ASN  12          2HD2      ASN  12  -3.071   2.956  12.395
  119   2HD2  ASN  12          1HD2      ASN  12  -3.640   4.128  11.216
  120    H    ARG  13           H        ARG  13  -3.946   3.784   8.424
  121    HA   ARG  13           HA       ARG  13  -5.112   1.889   9.978
  122   1HB   ARG  13          1HB       ARG  13  -7.259   2.425   8.748
  123   2HB   ARG  13          2HB       ARG  13  -6.383   3.742   9.534
  124   1HG   ARG  13          1HG       ARG  13  -7.042   4.749   7.608
  125   2HG   ARG  13          2HG       ARG  13  -5.435   4.236   7.106
  126   1HD   ARG  13          1HD       ARG  13  -6.567   2.191   6.025
  127   2HD   ARG  13          2HD       ARG  13  -8.112   2.881   6.538
  128    HE   ARG  13           HE       ARG  13  -6.868   4.905   5.099
  129   1HH1  ARG  13          2HH2      ARG  13  -8.249   1.677   4.596
  130   2HH1  ARG  13          1HH2      ARG  13  -9.217   2.253   3.269
  131   1HH2  ARG  13          2HH1      ARG  13  -7.582   5.372   2.962
  132   2HH2  ARG  13          1HH1      ARG  13  -8.476   4.190   2.079
  133    H    PHE  14           H        PHE  14  -4.423   1.477   6.608
  134    HA   PHE  14           HA       PHE  14  -5.702  -1.167   6.408
  135   1HB   PHE  14          1HB       PHE  14  -5.422   0.168   4.386
  136   2HB   PHE  14          2HB       PHE  14  -3.666   0.217   4.638
  137    HD1  PHE  14          2HD       PHE  14  -6.529  -2.163   4.087
  138    HD2  PHE  14          1HD       PHE  14  -2.252  -1.622   3.995
  139    HE1  PHE  14          2HE       PHE  14  -6.233  -4.473   3.293
  140    HE2  PHE  14          1HE       PHE  14  -1.990  -3.893   3.140
  141    HZ   PHE  14           HZ       PHE  14  -3.946  -5.350   2.861
  142    H    LYS  15           H        LYS  15  -4.982  -2.334   8.076
  143    HA   LYS  15           HA       LYS  15  -2.148  -3.122   8.360
  144   1HB   LYS  15          1HB       LYS  15  -3.162  -4.986   9.708
  145   2HB   LYS  15          2HB       LYS  15  -3.449  -3.381  10.368
  146   1HG   LYS  15          1HG       LYS  15  -5.561  -4.585   8.549
  147   2HG   LYS  15          2HG       LYS  15  -5.390  -5.242  10.163
  148   1HD   LYS  15          1HD       LYS  15  -6.211  -3.412  11.223
  149   2HD   LYS  15          2HD       LYS  15  -5.391  -2.281  10.151
  150   1HE   LYS  15          1HE       LYS  15  -7.096  -2.757   8.367
  151   2HE   LYS  15          2HE       LYS  15  -8.007  -3.733   9.534
  152   1HZ   LYS  15          2HZ       LYS  15  -7.233  -0.935  10.080
  153   2HZ   LYS  15          3HZ       LYS  15  -8.588  -1.289   9.222
  154   3HZ   LYS  15          1HZ       LYS  15  -8.423  -1.787  10.799
  155    H    TRP  16           H        TRP  16  -1.683  -5.455   7.815
  156    HA   TRP  16           HA       TRP  16  -3.170  -6.414   5.401
  157   1HB   TRP  16          1HB       TRP  16  -0.376  -6.837   6.497
  158   2HB   TRP  16          2HB       TRP  16  -1.204  -8.143   5.646
  159    HD1  TRP  16           HD       TRP  16   0.706  -5.023   4.850
  160    HE1  TRP  16          1HE       TRP  16   0.785  -4.748   2.295
  161    HE3  TRP  16          3HE       TRP  16  -2.825  -8.415   3.641
  162    HZ2  TRP  16          2HZ       TRP  16  -0.724  -5.737   0.013
  163    HZ3  TRP  16          3HZ       TRP  16  -3.341  -8.927   1.240
  164    HH2  TRP  16           HH       TRP  16  -2.423  -7.468  -0.549
  165    H    GLY  17           H        GLY  17  -1.874  -7.426   8.532
  166   1HA   GLY  17          1HA       GLY  17  -3.162  -8.559  10.217
  167   2HA   GLY  17          2HA       GLY  17  -4.248  -9.221   8.990
  168    HA   PRO  18           HA       PRO  18  -0.257 -11.642  10.036
  169   1HB   PRO  18          1HB       PRO  18  -1.082 -13.686  11.729
  170   2HB   PRO  18          2HB       PRO  18  -0.566 -12.067  12.278
  171   1HG   PRO  18          1HG       PRO  18  -3.399 -13.029  11.760
  172   2HG   PRO  18          2HG       PRO  18  -2.776 -12.158  13.193
  173   1HD   PRO  18          1HD       PRO  18  -4.051 -10.810  11.218
  174   2HD   PRO  18          2HD       PRO  18  -2.583 -10.121  11.969
  175    H    ALA  19           H        ALA  19  -3.326 -13.182   9.434
  176    HA   ALA  19           HA       ALA  19  -2.182 -15.643   8.309
  177   1HB   ALA  19          3HB       ALA  19  -4.510 -15.424   9.274
  178   2HB   ALA  19          1HB       ALA  19  -4.964 -14.500   7.833
  179   3HB   ALA  19          2HB       ALA  19  -4.437 -16.186   7.663
  180    H    SER  20           H        SER  20  -3.674 -12.676   7.130
  181    HA   SER  20           HA       SER  20  -3.272 -12.862   4.380
  182   1HB   SER  20          1HB       SER  20  -3.205 -10.510   6.327
  183   2HB   SER  20          2HB       SER  20  -3.390 -10.318   4.617
  184    HG   SER  20           HG       SER  20  -5.483 -10.406   5.450
  185    H    GLN  21           H        GLN  21  -0.996 -11.696   6.939
  186    HA   GLN  21           HA       GLN  21   1.114 -11.168   5.039
  187   1HB   GLN  21          1HB       GLN  21   1.005 -11.439   8.022
  188   2HB   GLN  21          2HB       GLN  21   2.565 -11.375   7.195
  189   1HG   GLN  21          1HG       GLN  21   2.252  -9.263   6.323
  190   2HG   GLN  21          2HG       GLN  21   0.492  -9.348   6.396
  191   1HE2  GLN  21          2HE2      GLN  21   0.449  -8.652  10.021
  192   2HE2  GLN  21          1HE2      GLN  21  -0.017  -9.947   8.934
  193    H    GLN  22           H        GLN  22   0.014 -14.117   6.679
  194    HA   GLN  22           HA       GLN  22   2.281 -15.708   5.902
  195   1HB   GLN  22          1HB       GLN  22   0.160 -16.169   7.534
  196   2HB   GLN  22          2HB       GLN  22  -0.399 -16.983   6.068
  197   1HG   GLN  22          1HG       GLN  22   0.730 -18.644   7.245
  198   2HG   GLN  22          2HG       GLN  22   1.940 -18.128   6.067
  199   1HE2  GLN  22          2HE2      GLN  22   3.222 -18.373   9.723
  200   2HE2  GLN  22          1HE2      GLN  22   1.771 -19.171   9.123
  201    H    ILE  23           H        ILE  23  -0.840 -15.023   4.290
  202    HA   ILE  23           HA       ILE  23  -0.339 -16.313   1.830
  203    HB   ILE  23           HB       ILE  23  -1.658 -13.601   2.112
  204   1HG1  ILE  23          1HG1      ILE  23  -2.717 -15.330   3.627
  205   2HG1  ILE  23          2HG1      ILE  23  -3.731 -14.561   2.431
  206   1HG2  ILE  23          1HG2      ILE  23  -1.885 -15.664  -0.073
  207   2HG2  ILE  23          2HG2      ILE  23  -2.861 -14.182   0.095
  208   3HG2  ILE  23          3HG2      ILE  23  -1.126 -14.070  -0.181
  209   1HD1  ILE  23          3HD1      ILE  23  -2.536 -17.326   2.089
  210   2HD1  ILE  23          1HD1      ILE  23  -4.168 -16.968   2.696
  211   3HD1  ILE  23          2HD1      ILE  23  -3.740 -16.531   1.037
  212    H    LEU  24           H        LEU  24   0.594 -12.998   2.891
  213    HA   LEU  24           HA       LEU  24   1.888 -12.253   0.503
  214   1HB   LEU  24          1HB       LEU  24   2.548 -11.432   3.392
  215   2HB   LEU  24          2HB       LEU  24   3.252 -10.739   1.970
  216    HG   LEU  24           HG       LEU  24   0.365 -10.493   2.802
  217   1HD1  LEU  24          1HD1      LEU  24   2.011  -9.008   3.865
  218   2HD1  LEU  24          2HD1      LEU  24   2.584  -8.498   2.269
  219   3HD1  LEU  24          3HD1      LEU  24   0.942  -8.116   2.774
  220   1HD2  LEU  24          1HD2      LEU  24   1.618  -9.993   0.118
  221   2HD2  LEU  24          2HD2      LEU  24   0.076 -10.766   0.507
  222   3HD2  LEU  24          3HD2      LEU  24   0.252  -9.007   0.681
  223    H    PHE  25           H        PHE  25   3.323 -13.848   3.381
  224    HA   PHE  25           HA       PHE  25   5.966 -14.043   2.387
  225   1HB   PHE  25          1HB       PHE  25   4.399 -15.810   4.312
  226   2HB   PHE  25          2HB       PHE  25   6.084 -16.072   3.909
  227    HD1  PHE  25          1HD       PHE  25   7.735 -14.106   4.213
  228    HD2  PHE  25          2HD       PHE  25   4.033 -14.561   6.340
  229    HE1  PHE  25          1HE       PHE  25   8.615 -12.732   6.084
  230    HE2  PHE  25          2HE       PHE  25   4.836 -13.046   8.106
  231    HZ   PHE  25           HZ       PHE  25   7.133 -12.110   7.988
  232    H    GLN  26           H        GLN  26   3.251 -16.414   2.161
  233    HA   GLN  26           HA       GLN  26   4.782 -18.344   0.785
  234   1HB   GLN  26          1HB       GLN  26   2.927 -19.635   0.751
  235   2HB   GLN  26          2HB       GLN  26   2.438 -18.489   1.987
  236   1HG   GLN  26          1HG       GLN  26   1.239 -17.224   0.072
  237   2HG   GLN  26          2HG       GLN  26   1.579 -18.629  -0.932
  238   1HE2  GLN  26          2HE2      GLN  26  -1.864 -19.101   0.200
  239   2HE2  GLN  26          1HE2      GLN  26  -0.926 -18.062  -0.868
  240    H    ALA  27           H        ALA  27   2.895 -15.586  -0.408
  241    HA   ALA  27           HA       ALA  27   3.078 -16.158  -3.197
  242   1HB   ALA  27          3HB       ALA  27   2.770 -13.529  -1.699
  243   2HB   ALA  27          1HB       ALA  27   2.561 -13.794  -3.436
  244   3HB   ALA  27          2HB       ALA  27   1.464 -14.589  -2.280
  245    H    TYR  28           H        TYR  28   4.966 -13.985  -1.055
  246    HA   TYR  28           HA       TYR  28   6.744 -13.029  -3.017
  247   1HB   TYR  28          1HB       TYR  28   6.265 -12.239  -0.568
  248   2HB   TYR  28          2HB       TYR  28   7.527 -13.347  -0.104
  249    HD1  TYR  28          2HD       TYR  28   6.657 -10.289  -1.977
  250    HD2  TYR  28          1HD       TYR  28   9.895 -12.754  -0.571
  251    HE1  TYR  28          2HE       TYR  28   8.284  -8.645  -2.860
  252    HE2  TYR  28          1HE       TYR  28  11.519 -11.039  -1.340
  253    HH   TYR  28           HH       TYR  28  11.785  -9.074  -2.574
  254    H    GLU  29           H        GLU  29   6.768 -15.977  -1.109
  255    HA   GLU  29           HA       GLU  29   9.400 -16.862  -1.825
  256   1HB   GLU  29          1HB       GLU  29   7.967 -17.835   0.017
  257   2HB   GLU  29          2HB       GLU  29   6.935 -18.569  -1.209
  258   1HG   GLU  29          1HG       GLU  29   8.828 -19.877  -2.077
  259   2HG   GLU  29          2HG       GLU  29   9.918 -19.090  -0.951
  260    H    ARG  30           H        ARG  30   6.136 -17.392  -3.410
  261    HA   ARG  30           HA       ARG  30   7.485 -19.037  -5.391
  262   1HB   ARG  30          1HB       ARG  30   5.338 -19.129  -6.587
  263   2HB   ARG  30          2HB       ARG  30   5.380 -19.803  -4.964
  264   1HG   ARG  30          1HG       ARG  30   4.066 -17.988  -4.094
  265   2HG   ARG  30          2HG       ARG  30   4.119 -17.088  -5.624
  266   1HD   ARG  30          1HD       ARG  30   2.723 -18.539  -6.737
  267   2HD   ARG  30          2HD       ARG  30   3.142 -19.916  -5.737
  268    HE   ARG  30           HE       ARG  30   1.812 -18.905  -3.876
  269   1HH1  ARG  30          2HH2      ARG  30   0.853 -17.609  -7.017
  270   2HH1  ARG  30          1HH2      ARG  30  -0.704 -18.459  -6.998
  271   1HH2  ARG  30          2HH1      ARG  30  -0.412 -19.486  -3.654
  272   2HH2  ARG  30          1HH1      ARG  30  -1.534 -18.718  -4.720
  273    H    GLN  31           H        GLN  31   5.765 -15.858  -5.671
  274    HA   GLN  31           HA       GLN  31   7.584 -15.264  -7.978
  275   1HB   GLN  31          1HB       GLN  31   4.721 -14.446  -7.575
  276   2HB   GLN  31          2HB       GLN  31   5.818 -13.773  -8.799
  277   1HG   GLN  31          1HG       GLN  31   6.169 -16.373  -9.390
  278   2HG   GLN  31          2HG       GLN  31   4.552 -16.503  -8.694
  279   1HE2  GLN  31          2HE2      GLN  31   3.070 -15.290 -11.702
  280   2HE2  GLN  31          1HE2      GLN  31   2.802 -15.886 -10.073
  281    H    LYS  32           H        LYS  32   9.098 -14.047  -7.210
  282    HA   LYS  32           HA       LYS  32   8.889 -11.977  -5.214
  283   1HB   LYS  32          1HB       LYS  32  10.672 -12.445  -7.649
  284   2HB   LYS  32          2HB       LYS  32  10.917 -11.099  -6.524
  285   1HG   LYS  32          1HG       LYS  32  11.442 -12.457  -4.736
  286   2HG   LYS  32          2HG       LYS  32  10.747 -13.934  -5.433
  287   1HD   LYS  32          1HD       LYS  32  12.458 -14.100  -7.114
  288   2HD   LYS  32          2HD       LYS  32  13.142 -12.527  -6.697
  289   1HE   LYS  32          1HE       LYS  32  13.131 -15.038  -4.947
  290   2HE   LYS  32          2HE       LYS  32  14.515 -14.342  -5.802
  291   1HZ   LYS  32          1HZ       LYS  32  14.080 -12.299  -4.415
  292   2HZ   LYS  32          2HZ       LYS  32  13.094 -13.250  -3.478
  293   3HZ   LYS  32          3HZ       LYS  32  14.715 -13.556  -3.631
  294    H    ASN  33           H        ASN  33   8.268 -12.194  -8.711
  295    HA   ASN  33           HA       ASN  33   7.466  -9.312  -8.824
  296   1HB   ASN  33          1HB       ASN  33   8.400 -11.185 -11.029
  297   2HB   ASN  33          2HB       ASN  33   7.922  -9.490 -11.214
  298   1HD2  ASN  33          2HD2      ASN  33  11.698 -10.440 -10.022
  299   2HD2  ASN  33          1HD2      ASN  33  10.542 -11.585 -10.706
  300    HA   PRO  34           HA       PRO  34   3.671 -11.893  -9.140
  301   1HB   PRO  34          1HB       PRO  34   1.774 -10.137  -8.318
  302   2HB   PRO  34          2HB       PRO  34   2.962 -10.827  -7.174
  303   1HG   PRO  34          1HG       PRO  34   3.200  -8.160  -8.643
  304   2HG   PRO  34          2HG       PRO  34   3.240  -8.436  -6.905
  305   1HD   PRO  34          1HD       PRO  34   5.529  -8.318  -8.352
  306   2HD   PRO  34          2HD       PRO  34   5.388  -9.572  -7.080
  307    H    SER  35           H        SER  35   3.947 -12.005 -11.420
  308    HA   SER  35           HA       SER  35   3.984  -9.929 -13.139
  309   1HB   SER  35          1HB       SER  35   4.497 -12.421 -13.532
  310   2HB   SER  35          2HB       SER  35   2.819 -12.598 -13.999
  311    HG   SER  35           HG       SER  35   4.876 -11.676 -15.414
  312    H    LYS  36           H        LYS  36   0.966 -11.941 -12.921
  313    HA   LYS  36           HA       LYS  36  -0.659  -9.582 -13.769
  314   1HB   LYS  36          1HB       LYS  36   0.443 -11.849 -15.428
  315   2HB   LYS  36          2HB       LYS  36  -1.263 -11.503 -15.657
  316   1HG   LYS  36          1HG       LYS  36  -0.797  -9.188 -16.226
  317   2HG   LYS  36          2HG       LYS  36   0.946  -9.439 -15.971
  318   1HD   LYS  36          1HD       LYS  36   0.983 -11.144 -17.779
  319   2HD   LYS  36          2HD       LYS  36  -0.774 -11.071 -17.922
  320   1HE   LYS  36          1HE       LYS  36   0.352  -9.827 -19.740
  321   2HE   LYS  36          2HE       LYS  36  -0.719  -8.814 -18.771
  322   1HZ   LYS  36          1HZ       LYS  36   2.170  -8.914 -18.227
  323   2HZ   LYS  36          2HZ       LYS  36   1.508  -7.900 -19.358
  324   3HZ   LYS  36          3HZ       LYS  36   1.039  -7.767 -17.799
  325    H    GLU  37           H        GLU  37  -0.752 -13.129 -13.635
  326    HA   GLU  37           HA       GLU  37  -3.510 -13.169 -12.679
  327   1HB   GLU  37          1HB       GLU  37  -2.099 -15.061 -13.999
  328   2HB   GLU  37          2HB       GLU  37  -1.384 -15.360 -12.453
  329   1HG   GLU  37          1HG       GLU  37  -4.190 -15.245 -11.916
  330   2HG   GLU  37          2HG       GLU  37  -3.991 -16.204 -13.391
  331    H    GLU  38           H        GLU  38  -0.261 -13.821 -11.453
  332    HA   GLU  38           HA       GLU  38  -0.634 -14.750  -9.038
  333   1HB   GLU  38          1HB       GLU  38   1.537 -14.085 -10.188
  334   2HB   GLU  38          2HB       GLU  38   1.358 -12.481  -9.504
  335   1HG   GLU  38          1HG       GLU  38   2.829 -13.742  -8.095
  336   2HG   GLU  38          2HG       GLU  38   1.345 -13.514  -7.195
  337    H    ARG  39           H        ARG  39  -0.346 -11.244  -9.474
  338    HA   ARG  39           HA       ARG  39  -1.098 -10.509  -6.897
  339   1HB   ARG  39          1HB       ARG  39  -1.955  -8.326  -8.220
  340   2HB   ARG  39          2HB       ARG  39  -0.229  -8.684  -8.133
  341   1HG   ARG  39          1HG       ARG  39  -0.045  -9.262 -10.340
  342   2HG   ARG  39          2HG       ARG  39  -1.666  -9.953 -10.444
  343   1HD   ARG  39          1HD       ARG  39  -1.223  -6.996 -10.239
  344   2HD   ARG  39          2HD       ARG  39  -1.287  -7.878 -11.779
  345    HE   ARG  39           HE       ARG  39  -3.560  -8.773 -10.965
  346   1HH1  ARG  39          2HH2      ARG  39  -2.474  -5.396 -10.852
  347   2HH1  ARG  39          1HH2      ARG  39  -4.049  -4.838 -10.270
  348   1HH2  ARG  39          2HH1      ARG  39  -5.604  -7.835 -10.926
  349   2HH2  ARG  39          1HH1      ARG  39  -5.805  -6.190 -10.313
  350    H    GLU  40           H        GLU  40  -3.277 -11.023  -9.664
  351    HA   GLU  40           HA       GLU  40  -5.644 -10.152  -8.310
  352   1HB   GLU  40          1HB       GLU  40  -4.889 -11.265 -10.857
  353   2HB   GLU  40          2HB       GLU  40  -6.218 -12.220 -10.246
  354   1HG   GLU  40          1HG       GLU  40  -7.730 -10.522 -10.456
  355   2HG   GLU  40          2HG       GLU  40  -6.605  -9.261  -9.963
  356    H    THR  41           H        THR  41  -4.085 -13.292  -8.793
  357    HA   THR  41           HA       THR  41  -5.702 -14.961  -7.277
  358    HB   THR  41           HB       THR  41  -2.968 -14.954  -8.401
  359    HG1  THR  41          1HG       THR  41  -3.660 -16.726  -9.263
  360   1HG2  THR  41          1HG2      THR  41  -3.524 -16.688  -5.982
  361   2HG2  THR  41          2HG2      THR  41  -2.225 -16.944  -7.176
  362   3HG2  THR  41          3HG2      THR  41  -2.222 -15.496  -6.176
  363    H    LEU  42           H        LEU  42  -2.942 -12.872  -6.098
  364    HA   LEU  42           HA       LEU  42  -2.996 -13.877  -3.463
  365   1HB   LEU  42          1HB       LEU  42  -2.068 -11.307  -4.755
  366   2HB   LEU  42          2HB       LEU  42  -2.375 -11.301  -3.045
  367    HG   LEU  42           HG       LEU  42  -0.839 -13.549  -3.150
  368   1HD1  LEU  42          1HD1      LEU  42   0.144 -11.670  -5.362
  369   2HD1  LEU  42          2HD1      LEU  42   1.066 -13.020  -4.697
  370   3HD1  LEU  42          3HD1      LEU  42  -0.432 -13.342  -5.536
  371   1HD2  LEU  42          1HD2      LEU  42   0.043 -10.661  -2.857
  372   2HD2  LEU  42          2HD2      LEU  42  -0.574 -11.741  -1.593
  373   3HD2  LEU  42          3HD2      LEU  42   0.986 -12.073  -2.348
  374    H    VAL  43           H        VAL  43  -4.864 -11.227  -5.002
  375    HA   VAL  43           HA       VAL  43  -6.162 -10.366  -2.620
  376    HB   VAL  43           HB       VAL  43  -7.240 -10.382  -5.480
  377   1HG1  VAL  43          1HG1      VAL  43  -8.056  -8.930  -2.947
  378   2HG1  VAL  43          2HG1      VAL  43  -8.620  -8.495  -4.581
  379   3HG1  VAL  43          3HG1      VAL  43  -9.029 -10.074  -3.890
  380   1HG2  VAL  43          2HG2      VAL  43  -5.793  -8.216  -3.889
  381   2HG2  VAL  43          3HG2      VAL  43  -5.103  -9.116  -5.260
  382   3HG2  VAL  43          1HG2      VAL  43  -6.499  -8.077  -5.517
  383    H    GLU  44           H        GLU  44  -7.125 -12.824  -5.033
  384    HA   GLU  44           HA       GLU  44  -9.544 -13.640  -3.838
  385   1HB   GLU  44          1HB       GLU  44  -8.781 -14.120  -6.138
  386   2HB   GLU  44          2HB       GLU  44  -7.489 -15.147  -5.497
  387   1HG   GLU  44          1HG       GLU  44  -9.327 -16.457  -6.415
  388   2HG   GLU  44          2HG       GLU  44  -9.020 -16.758  -4.713
  389    H    GLU  45           H        GLU  45  -6.344 -15.206  -3.568
  390    HA   GLU  45           HA       GLU  45  -6.681 -17.109  -1.581
  391   1HB   GLU  45          1HB       GLU  45  -4.508 -15.704  -2.813
  392   2HB   GLU  45          2HB       GLU  45  -4.283 -15.493  -1.101
  393   1HG   GLU  45          1HG       GLU  45  -3.112 -17.384  -1.365
  394   2HG   GLU  45          2HG       GLU  45  -4.671 -18.171  -1.128
  395    H    CYS  46           H        CYS  46  -5.935 -13.698  -1.114
  396    HA   CYS  46           HA       CYS  46  -5.782 -13.970   1.730
  397   1HB   CYS  46          1HB       CYS  46  -4.819 -12.054   0.023
  398   2HB   CYS  46          2HB       CYS  46  -6.276 -11.231   0.544
  399    HG   CYS  46           HG       CYS  46  -5.879 -11.571   3.162
  400    H    ASN  47           H        ASN  47  -8.226 -12.820  -0.501
  401    HA   ASN  47           HA       ASN  47 -10.196 -11.814   1.311
  402   1HB   ASN  47          1HB       ASN  47 -10.333 -12.992  -1.501
  403   2HB   ASN  47          2HB       ASN  47 -11.749 -12.434  -0.647
  404   1HD2  ASN  47          2HD2      ASN  47  -9.467  -9.128  -0.890
  405   2HD2  ASN  47          1HD2      ASN  47  -9.130 -10.420   0.263
  406    H    ARG  48           H        ARG  48  -9.794 -15.103  -0.162
  407    HA   ARG  48           HA       ARG  48 -11.978 -16.294   1.116
  408   1HB   ARG  48          1HB       ARG  48 -10.378 -17.354  -0.590
  409   2HB   ARG  48          2HB       ARG  48  -9.273 -17.669   0.752
  410   1HG   ARG  48          1HG       ARG  48 -11.265 -18.845   1.910
  411   2HG   ARG  48          2HG       ARG  48 -12.115 -18.709   0.370
  412   1HD   ARG  48          1HD       ARG  48  -9.458 -20.173   0.828
  413   2HD   ARG  48          2HD       ARG  48 -11.061 -20.929   0.736
  414    HE   ARG  48           HE       ARG  48 -10.375 -19.300  -1.614
  415   1HH1  ARG  48          2HH2      ARG  48  -9.997 -22.595  -0.225
  416   2HH1  ARG  48          1HH2      ARG  48  -9.643 -23.254  -1.811
  417   1HH2  ARG  48          2HH1      ARG  48 -10.167 -20.268  -3.553
  418   2HH2  ARG  48          1HH1      ARG  48 -10.058 -21.990  -3.763
  419    H    ALA  49           H        ALA  49  -8.604 -16.006   2.265
  420    HA   ALA  49           HA       ALA  49  -9.032 -17.173   4.818
  421   1HB   ALA  49          3HB       ALA  49  -6.808 -16.835   3.761
  422   2HB   ALA  49          1HB       ALA  49  -6.966 -15.086   4.003
  423   3HB   ALA  49          2HB       ALA  49  -6.875 -16.172   5.407
  424    H    GLU  50           H        GLU  50  -9.371 -13.807   3.769
  425    HA   GLU  50           HA       GLU  50  -9.755 -12.880   6.490
  426   1HB   GLU  50          1HB       GLU  50  -9.937 -11.614   3.760
  427   2HB   GLU  50          2HB       GLU  50 -10.446 -10.804   5.249
  428   1HG   GLU  50          1HG       GLU  50  -8.100 -11.405   6.198
  429   2HG   GLU  50          2HG       GLU  50  -7.648 -11.710   4.522
  430    H    CYS  51           H        CYS  51 -11.915 -14.022   3.949
  431    HA   CYS  51           HA       CYS  51 -14.276 -13.115   5.346
  432   1HB   CYS  51          1HB       CYS  51 -15.502 -14.009   3.736
  433   2HB   CYS  51          2HB       CYS  51 -13.969 -14.118   2.849
  434    HG   CYS  51           HG       CYS  51 -15.671 -16.339   4.617
  435    H    ILE  52           H        ILE  52 -12.273 -16.122   5.384
  436    HA   ILE  52           HA       ILE  52 -14.082 -17.558   7.052
  437    HB   ILE  52           HB       ILE  52 -11.139 -17.850   6.371
  438   1HG1  ILE  52          1HG1      ILE  52 -13.542 -19.627   5.743
  439   2HG1  ILE  52          2HG1      ILE  52 -13.048 -18.291   4.704
  440   1HG2  ILE  52          2HG2      ILE  52 -12.798 -19.690   8.145
  441   2HG2  ILE  52          3HG2      ILE  52 -11.214 -20.098   7.452
  442   3HG2  ILE  52          1HG2      ILE  52 -11.339 -18.788   8.618
  443   1HD1  ILE  52          1HD1      ILE  52 -10.841 -19.306   4.358
  444   2HD1  ILE  52          2HD1      ILE  52 -11.331 -20.720   5.330
  445   3HD1  ILE  52          3HD1      ILE  52 -12.169 -20.347   3.819
  446    H    GLN  53           H        GLN  53 -11.338 -15.474   7.703
  447    HA   GLN  53           HA       GLN  53 -11.105 -15.664  10.508
  448   1HB   GLN  53          1HB       GLN  53 -10.894 -13.259   8.675
  449   2HB   GLN  53          2HB       GLN  53 -10.537 -13.154  10.400
  450   1HG   GLN  53          1HG       GLN  53  -8.663 -14.528  10.279
  451   2HG   GLN  53          2HG       GLN  53  -9.157 -15.268   8.758
  452   1HE2  GLN  53          2HE2      GLN  53  -6.966 -13.134   7.022
  453   2HE2  GLN  53          1HE2      GLN  53  -7.410 -14.772   7.461
  454    H    ARG  54           H        ARG  54 -13.808 -14.199   8.711
  455    HA   ARG  54           HA       ARG  54 -15.183 -13.568  11.270
  456   1HB   ARG  54          1HB       ARG  54 -14.195 -11.645   9.181
  457   2HB   ARG  54          2HB       ARG  54 -15.791 -11.326   9.841
  458   1HG   ARG  54          1HG       ARG  54 -15.074 -11.108  12.044
  459   2HG   ARG  54          2HG       ARG  54 -13.493 -11.831  11.737
  460   1HD   ARG  54          1HD       ARG  54 -14.376  -9.269  10.358
  461   2HD   ARG  54          2HD       ARG  54 -13.625  -9.253  11.940
  462    HE   ARG  54           HE       ARG  54 -12.329  -9.891   9.355
  463   1HH1  ARG  54          2HH2      ARG  54 -12.041 -10.079  12.960
  464   2HH1  ARG  54          1HH2      ARG  54 -10.328 -10.434  12.818
  465   1HH2  ARG  54          2HH1      ARG  54 -10.115 -10.279   9.356
  466   2HH2  ARG  54          1HH1      ARG  54  -9.208 -10.407  10.869
  467    H    GLY  55           H        GLY  55 -15.429 -15.685   9.252
  468   1HA   GLY  55          1HA       GLY  55 -17.056 -16.837   8.182
  469   2HA   GLY  55          2HA       GLY  55 -18.275 -15.769   8.889
  470    H    VAL  56           H        VAL  56 -18.449 -13.614   7.851
  471    HA   VAL  56           HA       VAL  56 -19.472 -12.594   6.104
  472    HB   VAL  56           HB       VAL  56 -16.626 -13.047   5.341
  473   1HG1  VAL  56          3HG1      VAL  56 -18.484 -11.575   3.430
  474   2HG1  VAL  56          1HG1      VAL  56 -16.718 -11.615   3.389
  475   3HG1  VAL  56          2HG1      VAL  56 -17.602 -13.100   3.107
  476   1HG2  VAL  56          3HG2      VAL  56 -17.242 -11.323   6.975
  477   2HG2  VAL  56          1HG2      VAL  56 -16.540 -10.621   5.515
  478   3HG2  VAL  56          2HG2      VAL  56 -18.284 -10.534   5.761
  479    H    SER  57           H        SER  57 -20.105 -12.694   3.667
  480    HA   SER  57           HA       SER  57 -21.298 -15.333   3.201
  481   1HB   SER  57          1HB       SER  57 -21.783 -12.622   2.362
  482   2HB   SER  57          2HB       SER  57 -21.613 -13.656   0.941
  483    HG   SER  57           HG       SER  57 -23.320 -14.170   3.162
  484    HA   PRO  58           HA       PRO  58 -17.292 -16.262   1.328
  485   1HB   PRO  58          1HB       PRO  58 -17.868 -18.596  -0.065
  486   2HB   PRO  58          2HB       PRO  58 -17.588 -18.492   1.694
  487   1HG   PRO  58          1HG       PRO  58 -20.245 -18.519   0.246
  488   2HG   PRO  58          2HG       PRO  58 -19.768 -19.463   1.686
  489   1HD   PRO  58          1HD       PRO  58 -21.215 -17.189   1.915
  490   2HD   PRO  58          2HD       PRO  58 -19.916 -17.539   3.097
  491    H    SER  59           H        SER  59 -20.226 -16.269  -0.701
  492    HA   SER  59           HA       SER  59 -18.999 -15.843  -3.240
  493   1HB   SER  59          1HB       SER  59 -21.421 -14.821  -3.565
  494   2HB   SER  59          2HB       SER  59 -21.204 -16.558  -3.300
  495    HG   SER  59           HG       SER  59 -22.804 -15.684  -1.880
  496    H    GLN  60           H        GLN  60 -19.090 -13.816  -0.505
  497    HA   GLN  60           HA       GLN  60 -18.238 -11.474  -2.095
  498   1HB   GLN  60          1HB       GLN  60 -20.166 -11.559   0.273
  499   2HB   GLN  60          2HB       GLN  60 -19.357 -10.084  -0.248
  500   1HG   GLN  60          1HG       GLN  60 -21.160 -11.721  -2.072
  501   2HG   GLN  60          2HG       GLN  60 -21.683 -10.324  -1.132
  502   1HE2  GLN  60          2HE2      GLN  60 -19.951  -7.922  -3.154
  503   2HE2  GLN  60          1HE2      GLN  60 -20.312  -8.237  -1.451
  504    H    ALA  61           H        ALA  61 -16.563 -13.547  -1.146
  505    HA   ALA  61           HA       ALA  61 -15.399 -12.767   1.382
  506   1HB   ALA  61          2HB       ALA  61 -14.857 -14.974   0.319
  507   2HB   ALA  61          3HB       ALA  61 -14.025 -14.084  -0.995
  508   3HB   ALA  61          1HB       ALA  61 -13.414 -14.002   0.649
  509    H    GLN  62           H        GLN  62 -15.278 -11.399  -1.814
  510    HA   GLN  62           HA       GLN  62 -13.137  -9.595  -0.920
  511   1HB   GLN  62          1HB       GLN  62 -12.796  -8.999  -3.036
  512   2HB   GLN  62          2HB       GLN  62 -13.542 -10.570  -3.315
  513   1HG   GLN  62          1HG       GLN  62 -14.509  -7.800  -3.899
  514   2HG   GLN  62          2HG       GLN  62 -14.483  -9.226  -4.923
  515   1HE2  GLN  62          2HE2      GLN  62 -17.830  -8.237  -2.900
  516   2HE2  GLN  62          1HE2      GLN  62 -16.414  -7.202  -3.104
  517    H    GLY  63           H        GLY  63 -16.095  -9.756   0.190
  518   1HA   GLY  63          1HA       GLY  63 -16.987  -6.955  -0.337
  519   2HA   GLY  63          2HA       GLY  63 -17.965  -8.362   0.119
  520    H    LEU  64           H        LEU  64 -14.994  -7.944   1.803
  521    HA   LEU  64           HA       LEU  64 -16.296  -7.608   4.338
  522   1HB   LEU  64          1HB       LEU  64 -13.397  -7.325   3.450
  523   2HB   LEU  64          2HB       LEU  64 -13.932  -7.097   5.112
  524    HG   LEU  64           HG       LEU  64 -14.802  -9.431   5.152
  525   1HD1  LEU  64          1HD1      LEU  64 -13.596  -9.496   2.389
  526   2HD1  LEU  64          2HD1      LEU  64 -13.944 -10.971   3.324
  527   3HD1  LEU  64          3HD1      LEU  64 -15.273  -9.937   2.818
  528   1HD2  LEU  64          1HD2      LEU  64 -11.908  -9.138   4.252
  529   2HD2  LEU  64          2HD2      LEU  64 -12.527  -8.923   5.914
  530   3HD2  LEU  64          3HD2      LEU  64 -12.625 -10.507   5.131
  531    H    GLY  65           H        GLY  65 -14.684  -5.456   2.028
  532   1HA   GLY  65          1HA       GLY  65 -14.478  -3.171   1.922
  533   2HA   GLY  65          2HA       GLY  65 -15.733  -3.016   3.157
  534    H    SER  66           H        SER  66 -14.960  -3.790   5.407
  535    HA   SER  66           HA       SER  66 -13.305  -1.911   6.473
  536   1HB   SER  66          1HB       SER  66 -14.948  -3.191   7.731
  537   2HB   SER  66          2HB       SER  66 -14.023  -4.673   7.547
  538    HG   SER  66           HG       SER  66 -12.842  -4.109   9.210
  539    H    ASN  67           H        ASN  67 -12.346  -5.340   6.382
  540    HA   ASN  67           HA       ASN  67  -9.523  -4.667   6.761
  541   1HB   ASN  67          1HB       ASN  67 -11.097  -7.257   6.421
  542   2HB   ASN  67          2HB       ASN  67  -9.347  -7.181   6.637
  543   1HD2  ASN  67          2HD2      ASN  67 -11.745  -6.353   9.859
  544   2HD2  ASN  67          1HD2      ASN  67 -12.455  -6.739   8.300
  545    H    LEU  68           H        LEU  68 -11.673  -5.497   4.200
  546    HA   LEU  68           HA       LEU  68 -10.686  -7.118   2.607
  547   1HB   LEU  68          1HB       LEU  68 -12.640  -5.813   2.090
  548   2HB   LEU  68          2HB       LEU  68 -11.662  -4.418   1.604
  549    HG   LEU  68           HG       LEU  68 -10.729  -5.831  -0.264
  550   1HD1  LEU  68          2HD1      LEU  68 -12.813  -7.854   0.635
  551   2HD1  LEU  68          3HD1      LEU  68 -11.849  -7.890  -0.873
  552   3HD1  LEU  68          1HD1      LEU  68 -11.061  -8.092   0.682
  553   1HD2  LEU  68          1HD2      LEU  68 -13.730  -5.448  -0.143
  554   2HD2  LEU  68          2HD2      LEU  68 -12.520  -4.286  -0.705
  555   3HD2  LEU  68          3HD2      LEU  68 -12.788  -5.776  -1.619
  556    H    VAL  69           H        VAL  69  -8.923  -7.686   1.739
  557    HA   VAL  69           HA       VAL  69  -6.810  -5.905   0.749
  558    HB   VAL  69           HB       VAL  69  -7.316  -8.900   0.511
  559   1HG1  VAL  69          3HG1      VAL  69  -4.880  -7.273  -0.321
  560   2HG1  VAL  69          1HG1      VAL  69  -5.004  -9.051  -0.315
  561   3HG1  VAL  69          2HG1      VAL  69  -5.992  -8.107  -1.424
  562   1HG2  VAL  69          3HG2      VAL  69  -5.399  -7.238   2.219
  563   2HG2  VAL  69          1HG2      VAL  69  -6.830  -8.102   2.803
  564   3HG2  VAL  69          2HG2      VAL  69  -5.468  -9.003   2.166
  565    H    THR  70           H        THR  70  -6.959  -4.936  -1.203
  566    HA   THR  70           HA       THR  70  -8.617  -6.095  -3.398
  567    HB   THR  70           HB       THR  70  -8.917  -3.713  -4.118
  568    HG1  THR  70          1HG       THR  70  -7.126  -2.849  -2.962
  569   1HG2  THR  70          3HG2      THR  70 -10.633  -4.823  -2.631
  570   2HG2  THR  70          1HG2      THR  70  -9.815  -4.106  -1.223
  571   3HG2  THR  70          2HG2      THR  70 -10.544  -3.056  -2.437
  572    H    GLU  71           H        GLU  71  -7.540  -5.721  -5.561
  573    HA   GLU  71           HA       GLU  71  -4.936  -6.527  -5.647
  574   1HB   GLU  71          1HB       GLU  71  -4.828  -5.384  -7.914
  575   2HB   GLU  71          2HB       GLU  71  -6.020  -6.658  -7.688
  576   1HG   GLU  71          1HG       GLU  71  -7.843  -5.242  -7.674
  577   2HG   GLU  71          2HG       GLU  71  -6.914  -3.805  -7.215
  578    H    VAL  72           H        VAL  72  -5.841  -3.059  -5.713
  579    HA   VAL  72           HA       VAL  72  -3.225  -2.205  -6.138
  580    HB   VAL  72           HB       VAL  72  -5.354  -0.897  -6.317
  581   1HG1  VAL  72          1HG1      VAL  72  -6.252  -1.268  -4.062
  582   2HG1  VAL  72          2HG1      VAL  72  -4.913  -0.343  -3.355
  583   3HG1  VAL  72          3HG1      VAL  72  -6.082   0.454  -4.424
  584   1HG2  VAL  72          1HG2      VAL  72  -2.938   0.398  -5.006
  585   2HG2  VAL  72          2HG2      VAL  72  -3.169   0.075  -6.731
  586   3HG2  VAL  72          3HG2      VAL  72  -4.213   1.240  -5.907
  587    H    ARG  73           H        ARG  73  -4.584  -3.427  -3.157
  588    HA   ARG  73           HA       ARG  73  -2.632  -2.301  -1.316
  589   1HB   ARG  73          1HB       ARG  73  -4.274  -4.860  -1.098
  590   2HB   ARG  73          2HB       ARG  73  -3.426  -4.056   0.202
  591   1HG   ARG  73          1HG       ARG  73  -5.749  -2.783  -1.351
  592   2HG   ARG  73          2HG       ARG  73  -5.911  -3.730   0.132
  593   1HD   ARG  73          1HD       ARG  73  -5.927  -1.593   0.954
  594   2HD   ARG  73          2HD       ARG  73  -4.300  -2.185   1.210
  595    HE   ARG  73           HE       ARG  73  -5.133  -0.360  -1.067
  596   1HH1  ARG  73          2HH2      ARG  73  -3.259  -0.814   1.847
  597   2HH1  ARG  73          1HH2      ARG  73  -2.037   0.354   1.534
  598   1HH2  ARG  73          2HH1      ARG  73  -3.686   1.387  -1.555
  599   2HH2  ARG  73          1HH1      ARG  73  -2.432   1.818  -0.459
  600    H    VAL  74           H        VAL  74  -3.099  -5.439  -2.985
  601    HA   VAL  74           HA       VAL  74  -0.676  -6.689  -2.223
  602    HB   VAL  74           HB       VAL  74  -2.357  -6.940  -4.773
  603   1HG1  VAL  74          3HG1      VAL  74  -0.081  -8.645  -3.765
  604   2HG1  VAL  74          1HG1      VAL  74  -1.228  -9.146  -5.024
  605   3HG1  VAL  74          2HG1      VAL  74  -0.163  -7.771  -5.316
  606   1HG2  VAL  74          3HG2      VAL  74  -3.536  -7.599  -2.666
  607   2HG2  VAL  74          1HG2      VAL  74  -3.253  -8.949  -3.771
  608   3HG2  VAL  74          2HG2      VAL  74  -2.222  -8.766  -2.350
  609    H    TYR  75           H        TYR  75  -1.519  -4.607  -4.993
  610    HA   TYR  75           HA       TYR  75   0.962  -4.705  -6.252
  611   1HB   TYR  75          1HB       TYR  75  -1.447  -3.564  -6.844
  612   2HB   TYR  75          2HB       TYR  75  -0.556  -2.102  -6.412
  613    HD1  TYR  75          2HD       TYR  75  -0.575  -5.200  -8.426
  614    HD2  TYR  75          1HD       TYR  75   1.313  -1.364  -7.886
  615    HE1  TYR  75          2HE       TYR  75   0.900  -5.650 -10.336
  616    HE2  TYR  75          1HE       TYR  75   2.619  -1.723  -9.969
  617    HH   TYR  75           HH       TYR  75   2.183  -4.719 -11.917
  618    H    ASN  76           H        ASN  76  -0.208  -2.414  -3.792
  619    HA   ASN  76           HA       ASN  76   2.070  -0.735  -3.898
  620   1HB   ASN  76          1HB       ASN  76  -0.083  -1.286  -1.807
  621   2HB   ASN  76          2HB       ASN  76   1.372  -0.465  -1.267
  622   1HD2  ASN  76          2HD2      ASN  76  -0.990   1.575  -3.955
  623   2HD2  ASN  76          1HD2      ASN  76  -1.005  -0.192  -3.973
  624    H    TRP  77           H        TRP  77   1.290  -3.569  -1.849
  625    HA   TRP  77           HA       TRP  77   3.700  -3.511  -0.326
  626   1HB   TRP  77          1HB       TRP  77   2.565  -5.034   0.797
  627   2HB   TRP  77          2HB       TRP  77   1.385  -5.181  -0.491
  628    HD1  TRP  77           HD       TRP  77   1.515  -7.259  -2.047
  629    HE1  TRP  77          1HE       TRP  77   2.823  -9.435  -2.056
  630    HE3  TRP  77          3HE       TRP  77   4.777  -6.262   1.770
  631    HZ2  TRP  77          2HZ       TRP  77   4.743 -10.720  -0.423
  632    HZ3  TRP  77          3HZ       TRP  77   5.942  -8.141   2.805
  633    HH2  TRP  77           HH       TRP  77   6.063 -10.367   1.670
  634    H    PHE  78           H        PHE  78   2.891  -5.454  -3.268
  635    HA   PHE  78           HA       PHE  78   5.600  -6.414  -3.504
  636   1HB   PHE  78          1HB       PHE  78   3.136  -6.547  -5.219
  637   2HB   PHE  78          2HB       PHE  78   4.683  -6.915  -5.944
  638    HD1  PHE  78          2HD       PHE  78   6.307  -8.520  -4.636
  639    HD2  PHE  78          1HD       PHE  78   2.010  -8.522  -4.569
  640    HE1  PHE  78          2HE       PHE  78   6.305 -10.967  -4.336
  641    HE2  PHE  78          1HE       PHE  78   2.029 -10.968  -4.166
  642    HZ   PHE  78           HZ       PHE  78   4.182 -12.182  -3.933
  643    H    ALA  79           H        ALA  79   4.736  -3.281  -3.847
  644    HA   ALA  79           HA       ALA  79   6.953  -2.844  -5.816
  645   1HB   ALA  79          3HB       ALA  79   4.945  -0.913  -4.545
  646   2HB   ALA  79          1HB       ALA  79   6.291  -0.469  -5.597
  647   3HB   ALA  79          2HB       ALA  79   4.968  -1.477  -6.227
  648    H    ASN  80           H        ASN  80   5.777  -1.705  -2.584
  649    HA   ASN  80           HA       ASN  80   8.308  -0.648  -1.925
  650   1HB   ASN  80          1HB       ASN  80   6.296   0.079  -0.747
  651   2HB   ASN  80          2HB       ASN  80   6.047  -1.548  -0.088
  652   1HD2  ASN  80          2HD2      ASN  80   8.064  -0.844   2.725
  653   2HD2  ASN  80          1HD2      ASN  80   6.666  -1.657   2.074
  654    H    ARG  81           H        ARG  81   6.924  -3.791  -1.035
  655    HA   ARG  81           HA       ARG  81   8.936  -4.664   0.665
  656   1HB   ARG  81          1HB       ARG  81   6.827  -5.840   0.441
  657   2HB   ARG  81          2HB       ARG  81   7.178  -6.242  -1.251
  658   1HG   ARG  81          1HG       ARG  81   7.548  -8.212   0.040
  659   2HG   ARG  81          2HG       ARG  81   9.071  -7.615  -0.568
  660   1HD   ARG  81          1HD       ARG  81   9.124  -6.415   1.867
  661   2HD   ARG  81          2HD       ARG  81   8.133  -7.777   2.287
  662    HE   ARG  81           HE       ARG  81  10.964  -7.696   1.651
  663   1HH1  ARG  81          2HH2      ARG  81   8.138  -9.817   1.663
  664   2HH1  ARG  81          1HH2      ARG  81   9.075 -11.273   1.925
  665   1HH2  ARG  81          2HH1      ARG  81  12.213  -9.639   1.952
  666   2HH2  ARG  81          1HH1      ARG  81  11.419 -11.169   1.931
  667    H    ARG  82           H        ARG  82   8.947  -4.430  -2.881
  668    HA   ARG  82           HA       ARG  82  11.215  -6.133  -3.356
  669   1HB   ARG  82          1HB       ARG  82  10.557  -3.544  -4.843
  670   2HB   ARG  82          2HB       ARG  82  11.564  -4.903  -5.361
  671   1HG   ARG  82          1HG       ARG  82   9.551  -6.378  -5.216
  672   2HG   ARG  82          2HG       ARG  82   8.557  -4.957  -4.859
  673   1HD   ARG  82          1HD       ARG  82   8.833  -4.024  -6.999
  674   2HD   ARG  82          2HD       ARG  82  10.389  -4.795  -7.247
  675    HE   ARG  82           HE       ARG  82   9.403  -6.925  -7.586
  676   1HH1  ARG  82          2HH2      ARG  82   6.741  -4.823  -7.496
  677   2HH1  ARG  82          1HH2      ARG  82   6.654  -4.502  -9.216
  678   1HH2  ARG  82          2HH1      ARG  82   8.967  -7.173  -9.866
  679   2HH2  ARG  82          1HH1      ARG  82   7.473  -6.569 -10.540
  680    H    LYS  83           H        LYS  83  10.807  -2.675  -2.493
  681    HA   LYS  83           HA       LYS  83  13.649  -2.250  -2.554
  682   1HB   LYS  83          1HB       LYS  83  11.672  -0.475  -2.812
  683   2HB   LYS  83          2HB       LYS  83  11.670  -0.489  -1.049
  684   1HG   LYS  83          1HG       LYS  83  12.990   1.371  -1.744
  685   2HG   LYS  83          2HG       LYS  83  14.126   0.162  -1.130
  686   1HD   LYS  83          1HD       LYS  83  14.553  -0.581  -3.492
  687   2HD   LYS  83          2HD       LYS  83  13.473   0.677  -4.095
  688   1HE   LYS  83          1HE       LYS  83  15.968   1.190  -2.400
  689   2HE   LYS  83          2HE       LYS  83  16.002   1.089  -4.163
  690   1HZ   LYS  83          2HZ       LYS  83  14.386   3.105  -2.709
  691   2HZ   LYS  83          3HZ       LYS  83  15.896   3.306  -3.296
  692   3HZ   LYS  83          1HZ       LYS  83  14.651   3.009  -4.335
  693    H    GLU  84           H        GLU  84  11.306  -3.077  -0.034
  694    HA   GLU  84           HA       GLU  84  13.073  -3.071   2.168
  695   1HB   GLU  84          1HB       GLU  84  10.499  -3.748   1.998
  696   2HB   GLU  84          2HB       GLU  84  11.169  -5.364   1.727
  697   1HG   GLU  84          1HG       GLU  84  12.549  -4.857   3.913
  698   2HG   GLU  84          2HG       GLU  84  11.306  -3.637   4.198
  699    H    GLU  85           H        GLU  85  12.783  -5.438  -0.512
  700    HA   GLU  85           HA       GLU  85  14.559  -7.321   0.844
  701   1HB   GLU  85          1HB       GLU  85  12.871  -8.225  -0.635
  702   2HB   GLU  85          2HB       GLU  85  13.501  -7.304  -2.010
  703   1HG   GLU  85          1HG       GLU  85  15.618  -8.542  -1.934
  704   2HG   GLU  85          2HG       GLU  85  15.119  -9.396  -0.471
  705    H    ALA  86           H        ALA  86  14.711  -5.459  -2.121
  706    HA   ALA  86           HA       ALA  86  17.432  -5.835  -2.692
  707   1HB   ALA  86          2HB       ALA  86  15.539  -5.333  -4.281
  708   2HB   ALA  86          3HB       ALA  86  15.592  -3.646  -3.745
  709   3HB   ALA  86          1HB       ALA  86  16.997  -4.385  -4.558
  710    H    PHE  87           H        PHE  87  16.004  -3.721  -0.387
  711    HA   PHE  87           HA       PHE  87  17.976  -1.770   0.016
  712   1HB   PHE  87          1HB       PHE  87  15.885  -2.976   1.567
  713   2HB   PHE  87          2HB       PHE  87  17.327  -3.235   2.489
  714    HD1  PHE  87          1HD       PHE  87  15.115  -0.651   0.981
  715    HD2  PHE  87          2HD       PHE  87  18.364  -1.425   3.719
  716    HE1  PHE  87          1HE       PHE  87  14.957   1.667   1.840
  717    HE2  PHE  87          2HE       PHE  87  18.206   0.877   4.556
  718    HZ   PHE  87           HZ       PHE  87  16.553   2.460   3.581
  719    H    ARG  88           H        ARG  88  17.890  -5.227   1.023
  720    HA   ARG  88           HA       ARG  88  20.444  -5.176   2.284
  721   1HB   ARG  88          1HB       ARG  88  18.511  -6.767   2.618
  722   2HB   ARG  88          2HB       ARG  88  18.998  -7.610   1.137
  723   1HG   ARG  88          1HG       ARG  88  21.123  -8.262   2.063
  724   2HG   ARG  88          2HG       ARG  88  20.970  -7.134   3.402
  725   1HD   ARG  88          1HD       ARG  88  19.337  -9.662   2.973
  726   2HD   ARG  88          2HD       ARG  88  20.543  -9.365   4.242
  727    HE   ARG  88           HE       ARG  88  18.867  -7.370   4.790
  728   1HH1  ARG  88          2HH2      ARG  88  18.586 -10.629   5.432
  729   2HH1  ARG  88          1HH2      ARG  88  16.892 -10.886   5.211
  730   1HH2  ARG  88          2HH1      ARG  88  16.497  -7.307   5.121
  731   2HH2  ARG  88          1HH1      ARG  88  15.747  -8.811   5.588
  732    H    HIS  89           H        HIS  89  19.508  -5.569  -1.058
  733    HA   HIS  89           HA       HIS  89  21.969  -6.813  -1.938
  734   1HB   HIS  89          1HB       HIS  89  20.268  -7.036  -3.489
  735   2HB   HIS  89          2HB       HIS  89  19.669  -5.409  -3.279
  736    HD1  HIS  89          1HD       HIS  89  23.279  -6.551  -4.285
  737    HD2  HIS  89          2HD       HIS  89  20.067  -4.090  -5.468
  738    HE1  HIS  89          1HE       HIS  89  24.083  -5.220  -6.286
  739    H    LYS  90           H        LYS  90  20.818  -3.385  -1.828
  740    HA   LYS  90           HA       LYS  90  23.443  -2.536  -2.851
  741   1HB   LYS  90          1HB       LYS  90  21.155  -0.823  -1.831
  742   2HB   LYS  90          2HB       LYS  90  22.588  -0.291  -2.732
  743   1HG   LYS  90          1HG       LYS  90  21.860  -1.992  -4.534
  744   2HG   LYS  90          2HG       LYS  90  20.314  -2.078  -3.675
  745   1HD   LYS  90          1HD       LYS  90  21.643   0.363  -4.925
  746   2HD   LYS  90          2HD       LYS  90  20.232  -0.521  -5.516
  747   1HE   LYS  90          1HE       LYS  90  18.917   0.239  -3.533
  748   2HE   LYS  90          2HE       LYS  90  20.343   1.092  -2.910
  749   1HZ   LYS  90          1HZ       LYS  90  19.106   1.701  -5.508
  750   2HZ   LYS  90          2HZ       LYS  90  18.833   2.555  -4.107
  751   3HZ   LYS  90          3HZ       LYS  90  20.340   2.502  -4.764
  752    H    LEU  91           H        LEU  91  21.667  -2.165   0.247
  753    HA   LEU  91           HA       LEU  91  23.905  -1.052   1.505
  754   1HB   LEU  91          1HB       LEU  91  21.274  -1.862   2.762
  755   2HB   LEU  91          2HB       LEU  91  22.522  -0.839   3.463
  756    HG   LEU  91           HG       LEU  91  21.000   0.709   2.866
  757   1HD1  LEU  91          2HD1      LEU  91  23.088   1.449   1.809
  758   2HD1  LEU  91          3HD1      LEU  91  22.667   0.623   0.303
  759   3HD1  LEU  91          1HD1      LEU  91  21.691   1.968   0.875
  760   1HD2  LEU  91          1HD2      LEU  91  19.515  -0.873   1.641
  761   2HD2  LEU  91          2HD2      LEU  91  19.558   0.770   1.004
  762   3HD2  LEU  91          3HD2      LEU  91  20.418  -0.516   0.164
  763    H    ALA  92           H        ALA  92  23.085  -2.671   4.073
  764    HA   ALA  92           HA       ALA  92  24.270  -4.198   5.246
  765   1HB   ALA  92          2HB       ALA  92  22.860  -5.815   3.983
  766   2HB   ALA  92          3HB       ALA  92  24.157  -5.985   2.783
  767   3HB   ALA  92          1HB       ALA  92  24.437  -6.463   4.467
  768    H    MET  93           H        MET  93  25.490  -2.152   4.036
  769    HA   MET  93           HA       MET  93  28.207  -2.435   4.426
  770   1HB   MET  93          1HB       MET  93  28.995  -2.084   2.009
  771   2HB   MET  93          2HB       MET  93  28.552  -3.720   2.430
  772   1HG   MET  93          1HG       MET  93  26.684  -3.730   1.094
  773   2HG   MET  93          2HG       MET  93  26.396  -1.992   1.215
  774   1HE   MET  93          1HE       MET  93  27.213  -0.246  -0.268
  775   2HE   MET  93          2HE       MET  93  28.918  -0.502   0.182
  776   3HE   MET  93          3HE       MET  93  28.441  -0.426  -1.530
  777    H    ASP  94           H        ASP  94  26.325  -0.795   5.344
  778    HA   ASP  94           HA       ASP  94  26.883   1.828   4.096
  779   1HB   ASP  94          1HB       ASP  94  24.931   0.914   2.849
  780   2HB   ASP  94          2HB       ASP  94  24.025   0.741   4.343
  781    H    THR  95           H        THR  95  24.455   0.416   6.276
  782    HA   THR  95           HA       THR  95  25.326   1.914   8.631
  783    HB   THR  95           HB       THR  95  22.886   2.732   8.797
  784    HG1  THR  95          1HG       THR  95  22.964   2.418   5.963
  785   1HG2  THR  95          2HG2      THR  95  24.744   4.283   8.339
  786   2HG2  THR  95          3HG2      THR  95  24.554   4.018   6.593
  787   3HG2  THR  95          1HG2      THR  95  23.250   4.770   7.525
  788    H    TYR  96           H        TYR  96  24.242   0.969  10.501
  789    HA   TYR  96           HA       TYR  96  23.401  -0.763  11.717
  790   1HB   TYR  96          1HB       TYR  96  21.354   0.175  10.843
  791   2HB   TYR  96          2HB       TYR  96  21.494  -0.724   9.349
  792    HD1  TYR  96          2HD       TYR  96  21.480  -1.689  13.024
  793    HD2  TYR  96          1HD       TYR  96  19.781  -2.187   9.098
  794    HE1  TYR  96          2HE       TYR  96  20.139  -3.619  13.834
  795    HE2  TYR  96          1HE       TYR  96  18.430  -4.088   9.914
  796    HH   TYR  96           HH       TYR  96  17.958  -5.480  11.687
  797    H    LYS  97           H        LYS  97  22.443  -3.365  11.055
  798    HA   LYS  97           HA       LYS  97  24.780  -4.585   9.869
  799   1HB   LYS  97          1HB       LYS  97  23.899  -5.422  12.014
  800   2HB   LYS  97          2HB       LYS  97  22.384  -5.868  11.217
  801   1HG   LYS  97          1HG       LYS  97  23.503  -7.413   9.755
  802   2HG   LYS  97          2HG       LYS  97  25.105  -6.954  10.298
  803   1HD   LYS  97          1HD       LYS  97  23.046  -8.060  12.277
  804   2HD   LYS  97          2HD       LYS  97  23.873  -9.139  11.174
  805   1HE   LYS  97          1HE       LYS  97  25.027  -9.117  13.315
  806   2HE   LYS  97          2HE       LYS  97  26.069  -8.557  12.004
  807   1HZ   LYS  97          2HZ       LYS  97  24.688  -6.814  13.942
  808   2HZ   LYS  97          3HZ       LYS  97  26.285  -7.202  13.967
  809   3HZ   LYS  97          1HZ       LYS  97  25.683  -6.304  12.731
  810    H    LEU  98           H        LEU  98  21.240  -4.440   9.534
  811    HA   LEU  98           HA       LEU  98  19.799  -4.989   7.916
  812   1HB   LEU  98          1HB       LEU  98  21.339  -2.984   6.976
  813   2HB   LEU  98          2HB       LEU  98  21.763  -4.186   5.775
  814    HG   LEU  98           HG       LEU  98  20.037  -2.869   4.874
  815   1HD1  LEU  98          3HD1      LEU  98  19.623  -5.239   4.423
  816   2HD1  LEU  98          1HD1      LEU  98  18.597  -5.363   5.873
  817   3HD1  LEU  98          2HD1      LEU  98  18.114  -4.333   4.516
  818   1HD2  LEU  98          2HD2      LEU  98  19.251  -1.775   6.901
  819   2HD2  LEU  98          3HD2      LEU  98  17.895  -2.367   5.944
  820   3HD2  LEU  98          1HD2      LEU  98  18.383  -3.250   7.398
  821    H    ASN  99           H        ASN  99  21.034  -7.182   8.858
  822    HA   ASN  99           HA       ASN  99  21.817  -8.929   6.598
  823   1HB   ASN  99          2HB       ASN  99  21.852 -10.728   8.164
  824   2HB   ASN  99          3HB       ASN  99  22.762  -9.393   8.859
  825   1HD2  ASN  99          2HD2      ASN  99  19.115 -10.546  10.512
  826   2HD2  ASN  99          1HD2      ASN  99  19.480 -10.825   8.806
   
  No H/Q in entry =         826
  Start of MODEL    5
    1   1H    MET   0          1H        MET   0  -3.988  13.473  17.618
    2   2H    MET   0          2H        MET   0  -4.143  13.021  19.167
    3   3H    MET   0          3H        MET   0  -3.275  12.096  18.117
    4    HA   MET   0           HA       MET   0  -4.989  11.498  16.788
    5   1HB   MET   0          2HB       MET   0  -6.301  10.064  18.004
    6   2HB   MET   0          3HB       MET   0  -4.706  10.157  18.764
    7   1HG   MET   0          2HG       MET   0  -7.309  11.288  19.814
    8   2HG   MET   0          3HG       MET   0  -6.415   9.906  20.414
    9   1HE   MET   0          3HE       MET   0  -6.870  10.908  22.759
   10   2HE   MET   0          1HE       MET   0  -6.321  12.517  23.279
   11   3HE   MET   0          2HE       MET   0  -7.595  12.371  22.047
   12    H    ALA   1           H        ALA   1  -6.699  13.374  19.367
   13    HA   ALA   1           HA       ALA   1  -8.688  14.373  19.350
   14   1HB   ALA   1          3HB       ALA   1  -7.757  16.023  17.802
   15   2HB   ALA   1          1HB       ALA   1  -8.283  15.060  16.403
   16   3HB   ALA   1          2HB       ALA   1  -9.476  15.733  17.530
   17    H    ARG   2           H        ARG   2  -9.694  13.539  16.064
   18    HA   ARG   2           HA       ARG   2 -11.128  11.226  17.037
   19   1HB   ARG   2          1HB       ARG   2 -11.508  12.639  14.833
   20   2HB   ARG   2          2HB       ARG   2 -10.399  11.493  14.102
   21   1HG   ARG   2          1HG       ARG   2 -12.725  10.476  15.765
   22   2HG   ARG   2          2HG       ARG   2 -13.054  11.138  14.159
   23   1HD   ARG   2          1HD       ARG   2 -11.729   9.473  13.089
   24   2HD   ARG   2          2HD       ARG   2 -11.070   8.911  14.628
   25    HE   ARG   2           HE       ARG   2 -13.135   7.945  15.275
   26   1HH1  ARG   2          2HH2      ARG   2 -13.450   9.123  11.954
   27   2HH1  ARG   2          1HH2      ARG   2 -14.158   7.652  11.340
   28   1HH2  ARG   2          2HH1      ARG   2 -14.442   6.138  14.553
   29   2HH2  ARG   2          1HH1      ARG   2 -15.049   6.155  12.940
   30    H    ILE   3           H        ILE   3 -10.341   9.203  17.325
   31    HA   ILE   3           HA       ILE   3  -7.574   8.441  16.835
   32    HB   ILE   3           HB       ILE   3  -8.418   6.227  17.481
   33   1HG1  ILE   3          1HG1      ILE   3 -11.039   7.402  18.397
   34   2HG1  ILE   3          2HG1      ILE   3 -10.954   6.924  16.713
   35   1HG2  ILE   3          1HG2      ILE   3  -7.545   7.845  19.128
   36   2HG2  ILE   3          2HG2      ILE   3  -9.175   8.487  19.388
   37   3HG2  ILE   3          3HG2      ILE   3  -8.793   6.814  19.837
   38   1HD1  ILE   3          3HD1      ILE   3 -10.305   5.097  19.049
   39   2HD1  ILE   3          1HD1      ILE   3 -11.799   5.110  18.082
   40   3HD1  ILE   3          2HD1      ILE   3 -10.261   4.656  17.327
   41    H    ASP   4           H        ASP   4  -7.649   9.288  14.606
   42    HA   ASP   4           HA       ASP   4  -9.608   8.669  12.906
   43   1HB   ASP   4          1HB       ASP   4  -8.572   9.681  11.188
   44   2HB   ASP   4          2HB       ASP   4  -7.870  10.458  12.602
   45    HA   PRO   5           HA       PRO   5  -8.589   4.486  11.440
   46   1HB   PRO   5          1HB       PRO   5 -10.819   4.000   9.992
   47   2HB   PRO   5          2HB       PRO   5 -10.848   4.009  11.781
   48   1HG   PRO   5          1HG       PRO   5 -11.673   6.233   9.911
   49   2HG   PRO   5          2HG       PRO   5 -12.551   5.615  11.335
   50   1HD   PRO   5          1HD       PRO   5 -10.918   7.837  11.373
   51   2HD   PRO   5          2HD       PRO   5 -11.133   6.779  12.812
   52    H    THR   6           H        THR   6  -6.935   6.031  10.497
   53    HA   THR   6           HA       THR   6  -5.691   6.668   8.710
   54    HB   THR   6           HB       THR   6  -5.719   4.759   6.979
   55    HG1  THR   6          1HG       THR   6  -7.959   4.112   7.546
   56   1HG2  THR   6          3HG2      THR   6  -5.428   4.323  10.011
   57   2HG2  THR   6          1HG2      THR   6  -4.746   3.236   8.808
   58   3HG2  THR   6          2HG2      THR   6  -4.200   4.909   8.886
   59    H    LYS   7           H        LYS   7  -7.352   8.483   8.712
   60    HA   LYS   7           HA       LYS   7  -8.834   8.722   6.181
   61   1HB   LYS   7          1HB       LYS   7  -9.428  10.944   6.872
   62   2HB   LYS   7          2HB       LYS   7  -9.750   9.759   8.130
   63   1HG   LYS   7          1HG       LYS   7  -8.754  11.150   9.569
   64   2HG   LYS   7          2HG       LYS   7  -7.238  10.631   8.860
   65   1HD   LYS   7          1HD       LYS   7  -7.957  12.698   7.134
   66   2HD   LYS   7          2HD       LYS   7  -8.774  13.188   8.616
   67   1HE   LYS   7          1HE       LYS   7  -6.626  14.225   8.634
   68   2HE   LYS   7          2HE       LYS   7  -6.575  12.940   9.853
   69   1HZ   LYS   7          1HZ       LYS   7  -5.410  11.570   8.183
   70   2HZ   LYS   7          2HZ       LYS   7  -5.471  12.795   7.097
   71   3HZ   LYS   7          3HZ       LYS   7  -4.573  12.925   8.466
   72    H    LYS   8           H        LYS   8  -6.936   8.069   4.940
   73    HA   LYS   8           HA       LYS   8  -5.176   8.486   3.516
   74   1HB   LYS   8          1HB       LYS   8  -7.165   9.931   2.743
   75   2HB   LYS   8          2HB       LYS   8  -6.363  11.291   3.506
   76   1HG   LYS   8          1HG       LYS   8  -5.848  11.479   1.305
   77   2HG   LYS   8          2HG       LYS   8  -4.364  10.726   1.914
   78   1HD   LYS   8          1HD       LYS   8  -5.242   8.504   1.161
   79   2HD   LYS   8          2HD       LYS   8  -6.706   9.270   0.559
   80   1HE   LYS   8          1HE       LYS   8  -3.876   9.777  -0.483
   81   2HE   LYS   8          2HE       LYS   8  -5.130   8.773  -1.244
   82   1HZ   LYS   8          3HZ       LYS   8  -6.484  10.737  -1.492
   83   2HZ   LYS   8          1HZ       LYS   8  -5.283  11.692  -0.914
   84   3HZ   LYS   8          2HZ       LYS   8  -5.069  10.858  -2.315
   85    H    GLY   9           H        GLY   9  -3.983   8.437   5.936
   86   1HA   GLY   9          1HA       GLY   9  -2.819  11.013   6.633
   87   2HA   GLY   9          2HA       GLY   9  -2.481   9.446   7.373
   88    H    ARG  10           H        ARG  10  -1.274   7.882   6.094
   89    HA   ARG  10           HA       ARG  10   0.559   8.796   3.992
   90   1HB   ARG  10          1HB       ARG  10   1.427   7.929   6.788
   91   2HB   ARG  10          2HB       ARG  10   2.555   8.126   5.445
   92   1HG   ARG  10          1HG       ARG  10   2.276  10.497   5.405
   93   2HG   ARG  10          2HG       ARG  10   0.941  10.463   6.545
   94   1HD   ARG  10          1HD       ARG  10   3.411   9.175   7.590
   95   2HD   ARG  10          2HD       ARG  10   3.528  10.888   7.228
   96    HE   ARG  10           HE       ARG  10   1.913  11.489   8.737
   97   1HH1  ARG  10          2HH2      ARG  10   2.385   7.931   8.852
   98   2HH1  ARG  10          1HH2      ARG  10   1.506   7.757  10.335
   99   1HH2  ARG  10          2HH1      ARG  10   0.824  11.216  10.777
  100   2HH2  ARG  10          1HH1      ARG  10   0.387   9.591  11.242
  101    H    ARG  11           H        ARG  11   2.215   6.777   3.902
  102    HA   ARG  11           HA       ARG  11   1.033   4.319   3.448
  103   1HB   ARG  11          1HB       ARG  11   3.161   4.826   2.657
  104   2HB   ARG  11          2HB       ARG  11   3.800   5.212   4.257
  105   1HG   ARG  11          1HG       ARG  11   3.014   2.358   3.549
  106   2HG   ARG  11          2HG       ARG  11   4.519   3.070   2.983
  107   1HD   ARG  11          1HD       ARG  11   4.914   3.729   5.529
  108   2HD   ARG  11          2HD       ARG  11   3.702   2.496   5.842
  109    HE   ARG  11           HE       ARG  11   5.292   0.911   5.512
  110   1HH1  ARG  11          2HH2      ARG  11   6.475   3.938   4.055
  111   2HH1  ARG  11          1HH2      ARG  11   8.017   3.258   3.637
  112   1HH2  ARG  11          2HH1      ARG  11   7.290   0.018   4.857
  113   2HH2  ARG  11          1HH1      ARG  11   8.565   1.076   4.319
  114    H    ASN  12           H        ASN  12   0.892   2.461   4.661
  115    HA   ASN  12           HA       ASN  12   0.283   1.188   6.444
  116   1HB   ASN  12          1HB       ASN  12   2.197   2.082   7.823
  117   2HB   ASN  12          2HB       ASN  12   1.117   3.366   8.400
  118   1HD2  ASN  12          2HD2      ASN  12   0.462  -0.526   9.631
  119   2HD2  ASN  12          1HD2      ASN  12   1.248  -0.236   8.108
  120    H    ARG  13           H        ARG  13  -1.122   3.657   5.090
  121    HA   ARG  13           HA       ARG  13  -3.363   4.267   6.721
  122   1HB   ARG  13          1HB       ARG  13  -4.590   4.488   4.604
  123   2HB   ARG  13          2HB       ARG  13  -3.051   5.346   4.561
  124   1HG   ARG  13          1HG       ARG  13  -2.123   3.249   3.310
  125   2HG   ARG  13          2HG       ARG  13  -3.832   2.792   3.132
  126   1HD   ARG  13          1HD       ARG  13  -4.154   5.250   2.228
  127   2HD   ARG  13          2HD       ARG  13  -2.403   5.310   2.223
  128    HE   ARG  13           HE       ARG  13  -2.316   4.027   0.327
  129   1HH1  ARG  13          2HH2      ARG  13  -5.477   3.667   1.848
  130   2HH1  ARG  13          1HH2      ARG  13  -6.302   3.070   0.448
  131   1HH2  ARG  13          2HH1      ARG  13  -3.398   3.286  -1.630
  132   2HH2  ARG  13          1HH1      ARG  13  -5.076   2.783  -1.539
  133    H    PHE  14           H        PHE  14  -2.536   1.452   4.800
  134    HA   PHE  14           HA       PHE  14  -4.908  -0.072   5.793
  135   1HB   PHE  14          1HB       PHE  14  -4.898   0.014   3.457
  136   2HB   PHE  14          2HB       PHE  14  -3.150  -0.087   3.339
  137    HD1  PHE  14          2HD       PHE  14  -6.144  -2.164   4.294
  138    HD2  PHE  14          1HD       PHE  14  -1.947  -2.079   3.248
  139    HE1  PHE  14          2HE       PHE  14  -6.137  -4.624   4.016
  140    HE2  PHE  14          1HE       PHE  14  -2.022  -4.469   2.797
  141    HZ   PHE  14           HZ       PHE  14  -4.148  -5.745   3.052
  142    H    LYS  15           H        LYS  15  -4.464  -2.307   6.423
  143    HA   LYS  15           HA       LYS  15  -1.723  -3.060   7.031
  144   1HB   LYS  15          1HB       LYS  15  -2.131  -3.493   9.385
  145   2HB   LYS  15          2HB       LYS  15  -2.360  -1.781   9.021
  146   1HG   LYS  15          1HG       LYS  15  -4.948  -2.621   8.757
  147   2HG   LYS  15          2HG       LYS  15  -4.343  -3.897   9.810
  148   1HD   LYS  15          1HD       LYS  15  -5.152  -2.324  11.297
  149   2HD   LYS  15          2HD       LYS  15  -3.416  -1.969  11.313
  150   1HE   LYS  15          1HE       LYS  15  -3.843  -0.077   9.656
  151   2HE   LYS  15          2HE       LYS  15  -5.554  -0.527   9.646
  152   1HZ   LYS  15          2HZ       LYS  15  -5.387  -0.038  12.170
  153   2HZ   LYS  15          3HZ       LYS  15  -4.090   0.890  11.737
  154   3HZ   LYS  15          1HZ       LYS  15  -5.560   1.153  11.079
  155    H    TRP  16           H        TRP  16  -1.502  -5.193   6.669
  156    HA   TRP  16           HA       TRP  16  -3.634  -6.649   5.454
  157   1HB   TRP  16          1HB       TRP  16  -0.876  -7.462   6.440
  158   2HB   TRP  16          2HB       TRP  16  -1.934  -8.502   5.494
  159    HD1  TRP  16           HD       TRP  16   0.501  -5.667   5.075
  160    HE1  TRP  16          1HE       TRP  16   0.911  -5.237   2.602
  161    HE3  TRP  16          3HE       TRP  16  -3.386  -8.354   3.183
  162    HZ2  TRP  16          2HZ       TRP  16  -0.419  -5.951   0.042
  163    HZ3  TRP  16          3HZ       TRP  16  -3.352  -8.968   0.776
  164    HH2  TRP  16           HH       TRP  16  -2.129  -7.518  -0.821
  165    H    GLY  17           H        GLY  17  -4.156  -8.933   6.120
  166   1HA   GLY  17          1HA       GLY  17  -5.221  -8.999   8.864
  167   2HA   GLY  17          2HA       GLY  17  -5.464 -10.188   7.573
  168    HA   PRO  18           HA       PRO  18  -2.147 -11.856  10.477
  169   1HB   PRO  18          1HB       PRO  18  -3.556 -13.933  11.596
  170   2HB   PRO  18          2HB       PRO  18  -3.441 -12.305  12.300
  171   1HG   PRO  18          1HG       PRO  18  -5.759 -13.485  10.789
  172   2HG   PRO  18          2HG       PRO  18  -5.762 -12.371  12.166
  173   1HD   PRO  18          1HD       PRO  18  -6.083 -11.609   9.493
  174   2HD   PRO  18          2HD       PRO  18  -5.546 -10.521  10.797
  175    H    ALA  19           H        ALA  19  -4.630 -14.015   9.332
  176    HA   ALA  19           HA       ALA  19  -3.048 -16.010   8.201
  177   1HB   ALA  19          3HB       ALA  19  -5.449 -16.163   8.672
  178   2HB   ALA  19          1HB       ALA  19  -5.815 -15.102   7.306
  179   3HB   ALA  19          2HB       ALA  19  -5.086 -16.704   7.023
  180    H    SER  20           H        SER  20  -4.423 -13.153   6.625
  181    HA   SER  20           HA       SER  20  -3.614 -13.224   4.032
  182   1HB   SER  20          1HB       SER  20  -4.687 -11.336   5.263
  183   2HB   SER  20          2HB       SER  20  -3.103 -10.971   5.996
  184    HG   SER  20           HG       SER  20  -3.698 -10.924   3.239
  185    H    GLN  21           H        GLN  21  -1.359 -12.773   6.834
  186    HA   GLN  21           HA       GLN  21   0.955 -12.153   5.280
  187   1HB   GLN  21          1HB       GLN  21   0.785 -13.567   7.947
  188   2HB   GLN  21          2HB       GLN  21   2.236 -12.860   7.223
  189   1HG   GLN  21          1HG       GLN  21  -0.222 -11.342   8.156
  190   2HG   GLN  21          2HG       GLN  21   1.318 -11.442   8.992
  191   1HE2  GLN  21          2HE2      GLN  21   1.043  -9.084   5.588
  192   2HE2  GLN  21          1HE2      GLN  21  -0.173 -10.315   5.925
  193    H    GLN  22           H        GLN  22  -0.621 -15.250   5.993
  194    HA   GLN  22           HA       GLN  22   1.586 -16.926   5.397
  195   1HB   GLN  22          1HB       GLN  22  -0.834 -17.393   6.424
  196   2HB   GLN  22          2HB       GLN  22  -1.260 -17.713   4.748
  197   1HG   GLN  22          1HG       GLN  22  -0.654 -19.784   5.830
  198   2HG   GLN  22          2HG       GLN  22   0.580 -19.386   4.626
  199   1HE2  GLN  22          2HE2      GLN  22   1.514 -18.980   8.667
  200   2HE2  GLN  22          1HE2      GLN  22  -0.152 -18.774   8.139
  201    H    ILE  23           H        ILE  23  -1.124 -15.737   3.420
  202    HA   ILE  23           HA       ILE  23  -0.264 -16.717   0.914
  203    HB   ILE  23           HB       ILE  23  -1.914 -14.250   1.650
  204   1HG1  ILE  23          1HG1      ILE  23  -3.738 -15.714   0.685
  205   2HG1  ILE  23          2HG1      ILE  23  -2.580 -17.079   0.790
  206   1HG2  ILE  23          3HG2      ILE  23  -0.937 -14.010  -0.609
  207   2HG2  ILE  23          1HG2      ILE  23  -1.587 -15.589  -1.066
  208   3HG2  ILE  23          2HG2      ILE  23  -2.683 -14.253  -0.667
  209   1HD1  ILE  23          3HD1      ILE  23  -3.516 -15.473   3.164
  210   2HD1  ILE  23          1HD1      ILE  23  -4.328 -16.930   2.537
  211   3HD1  ILE  23          2HD1      ILE  23  -2.677 -17.061   3.137
  212    H    LEU  24           H        LEU  24   0.415 -13.642   2.607
  213    HA   LEU  24           HA       LEU  24   1.936 -12.610   0.378
  214   1HB   LEU  24          1HB       LEU  24   1.558 -11.764   3.255
  215   2HB   LEU  24          2HB       LEU  24   2.551 -10.831   2.130
  216    HG   LEU  24           HG       LEU  24  -0.207 -11.718   1.248
  217   1HD1  LEU  24          1HD1      LEU  24  -0.426 -10.559   3.494
  218   2HD1  LEU  24          2HD1      LEU  24   0.139  -9.097   2.644
  219   3HD1  LEU  24          3HD1      LEU  24  -1.308  -9.974   2.083
  220   1HD2  LEU  24          3HD2      LEU  24   1.418 -10.516  -0.355
  221   2HD2  LEU  24          1HD2      LEU  24  -0.159  -9.724  -0.123
  222   3HD2  LEU  24          2HD2      LEU  24   1.239  -9.121   0.745
  223    H    PHE  25           H        PHE  25   2.801 -14.942   2.714
  224    HA   PHE  25           HA       PHE  25   5.695 -14.674   2.086
  225   1HB   PHE  25          1HB       PHE  25   4.148 -16.945   3.413
  226   2HB   PHE  25          2HB       PHE  25   5.843 -16.982   2.991
  227    HD1  PHE  25          1HD       PHE  25   7.342 -14.991   3.891
  228    HD2  PHE  25          2HD       PHE  25   3.657 -16.365   5.668
  229    HE1  PHE  25          1HE       PHE  25   7.979 -13.946   6.041
  230    HE2  PHE  25          2HE       PHE  25   4.267 -15.259   7.791
  231    HZ   PHE  25           HZ       PHE  25   6.426 -14.048   7.979
  232    H    GLN  26           H        GLN  26   2.985 -16.961   1.428
  233    HA   GLN  26           HA       GLN  26   4.401 -18.618  -0.214
  234   1HB   GLN  26          1HB       GLN  26   2.467 -19.756  -0.559
  235   2HB   GLN  26          2HB       GLN  26   1.947 -18.731   0.771
  236   1HG   GLN  26          1HG       GLN  26   0.932 -17.181  -1.022
  237   2HG   GLN  26          2HG       GLN  26   1.376 -18.435  -2.184
  238   1HE2  GLN  26          2HE2      GLN  26  -2.025 -19.441  -1.737
  239   2HE2  GLN  26          1HE2      GLN  26  -0.779 -18.749  -2.772
  240    H    ALA  27           H        ALA  27   2.500 -15.776  -1.312
  241    HA   ALA  27           HA       ALA  27   3.003 -16.234  -4.076
  242   1HB   ALA  27          2HB       ALA  27   1.991 -13.852  -2.441
  243   2HB   ALA  27          3HB       ALA  27   1.969 -13.921  -4.214
  244   3HB   ALA  27          1HB       ALA  27   1.003 -15.069  -3.269
  245    H    TYR  28           H        TYR  28   4.332 -14.032  -1.565
  246    HA   TYR  28           HA       TYR  28   5.977 -12.655  -3.414
  247   1HB   TYR  28          1HB       TYR  28   5.250 -11.968  -1.033
  248   2HB   TYR  28          2HB       TYR  28   6.529 -13.001  -0.436
  249    HD1  TYR  28          2HD       TYR  28   7.048 -10.893  -3.532
  250    HD2  TYR  28          1HD       TYR  28   7.553 -11.132   0.758
  251    HE1  TYR  28          2HE       TYR  28   8.213  -8.774  -3.553
  252    HE2  TYR  28          1HE       TYR  28   8.900  -9.055   0.677
  253    HH   TYR  28           HH       TYR  28  10.201  -7.738  -1.016
  254    H    GLU  29           H        GLU  29   6.331 -15.727  -1.762
  255    HA   GLU  29           HA       GLU  29   9.157 -15.847  -2.396
  256   1HB   GLU  29          1HB       GLU  29   7.925 -17.081  -0.434
  257   2HB   GLU  29          2HB       GLU  29   7.523 -18.285  -1.675
  258   1HG   GLU  29          1HG       GLU  29   9.624 -18.895  -0.647
  259   2HG   GLU  29          2HG       GLU  29   9.966 -18.364  -2.277
  260    H    ARG  30           H        ARG  30   6.162 -17.353  -3.631
  261    HA   ARG  30           HA       ARG  30   7.698 -18.926  -5.352
  262   1HB   ARG  30          1HB       ARG  30   5.499 -19.542  -4.521
  263   2HB   ARG  30          2HB       ARG  30   4.710 -18.254  -5.420
  264   1HG   ARG  30          1HG       ARG  30   6.342 -20.405  -6.842
  265   2HG   ARG  30          2HG       ARG  30   4.710 -20.764  -6.279
  266   1HD   ARG  30          1HD       ARG  30   5.411 -18.586  -8.290
  267   2HD   ARG  30          2HD       ARG  30   4.686 -20.129  -8.649
  268    HE   ARG  30           HE       ARG  30   3.465 -17.805  -7.211
  269   1HH1  ARG  30          2HH2      ARG  30   2.882 -20.998  -8.754
  270   2HH1  ARG  30          1HH2      ARG  30   1.155 -20.818  -8.609
  271   1HH2  ARG  30          2HH1      ARG  30   1.235 -17.690  -6.980
  272   2HH2  ARG  30          1HH1      ARG  30   0.220 -18.829  -7.811
  273    H    GLN  31           H        GLN  31   5.803 -15.896  -5.930
  274    HA   GLN  31           HA       GLN  31   7.354 -15.494  -8.457
  275   1HB   GLN  31          1HB       GLN  31   4.791 -16.131  -8.546
  276   2HB   GLN  31          2HB       GLN  31   4.572 -14.423  -8.154
  277   1HG   GLN  31          1HG       GLN  31   5.926 -13.841 -10.142
  278   2HG   GLN  31          2HG       GLN  31   6.157 -15.557 -10.510
  279   1HE2  GLN  31          2HE2      GLN  31   2.742 -16.073 -11.582
  280   2HE2  GLN  31          1HE2      GLN  31   4.195 -16.856 -11.055
  281    H    LYS  32           H        LYS  32   8.582 -14.740  -6.392
  282    HA   LYS  32           HA       LYS  32   8.312 -12.350  -5.108
  283   1HB   LYS  32          1HB       LYS  32  10.188 -14.039  -4.976
  284   2HB   LYS  32          2HB       LYS  32  10.784 -13.455  -6.516
  285   1HG   LYS  32          1HG       LYS  32  12.254 -12.554  -4.964
  286   2HG   LYS  32          2HG       LYS  32  11.238 -11.220  -5.468
  287   1HD   LYS  32          1HD       LYS  32  11.400 -10.853  -3.192
  288   2HD   LYS  32          2HD       LYS  32   9.873 -11.724  -3.263
  289   1HE   LYS  32          1HE       LYS  32  12.641 -12.865  -2.517
  290   2HE   LYS  32          2HE       LYS  32  11.347 -12.430  -1.394
  291   1HZ   LYS  32          3HZ       LYS  32   9.977 -14.119  -2.517
  292   2HZ   LYS  32          1HZ       LYS  32  11.303 -14.646  -3.334
  293   3HZ   LYS  32          2HZ       LYS  32  11.280 -14.788  -1.753
  294    H    ASN  33           H        ASN  33   8.853 -12.685  -8.541
  295    HA   ASN  33           HA       ASN  33   8.801  -9.737  -8.898
  296   1HB   ASN  33          1HB       ASN  33   9.600 -10.020 -11.097
  297   2HB   ASN  33          2HB       ASN  33  10.756 -10.721  -9.969
  298   1HD2  ASN  33          2HD2      ASN  33  10.187 -14.092 -11.208
  299   2HD2  ASN  33          1HD2      ASN  33  10.589 -13.239  -9.730
  300    HA   PRO  34           HA       PRO  34   4.717 -11.655  -9.343
  301   1HB   PRO  34          1HB       PRO  34   3.113  -9.508  -8.811
  302   2HB   PRO  34          2HB       PRO  34   4.010 -10.430  -7.571
  303   1HG   PRO  34          1HG       PRO  34   4.816  -7.838  -8.931
  304   2HG   PRO  34          2HG       PRO  34   4.800  -8.193  -7.174
  305   1HD   PRO  34          1HD       PRO  34   7.071  -8.399  -8.605
  306   2HD   PRO  34          2HD       PRO  34   6.673  -9.630  -7.362
  307    H    SER  35           H        SER  35   4.372 -12.220 -11.409
  308    HA   SER  35           HA       SER  35   4.442 -10.357 -13.641
  309   1HB   SER  35          1HB       SER  35   5.413 -12.563 -13.841
  310   2HB   SER  35          2HB       SER  35   3.868 -13.350 -13.480
  311    HG   SER  35           HG       SER  35   4.456 -13.104 -15.775
  312    H    LYS  36           H        LYS  36   1.944 -12.704 -14.043
  313    HA   LYS  36           HA       LYS  36  -0.118 -10.569 -13.794
  314   1HB   LYS  36          1HB       LYS  36   0.554 -11.814 -16.044
  315   2HB   LYS  36          2HB       LYS  36  -0.532 -13.055 -15.460
  316   1HG   LYS  36          1HG       LYS  36  -1.083 -10.170 -16.193
  317   2HG   LYS  36          2HG       LYS  36  -1.734 -11.615 -16.954
  318   1HD   LYS  36          1HD       LYS  36  -2.477 -10.465 -14.219
  319   2HD   LYS  36          2HD       LYS  36  -3.436 -10.368 -15.681
  320   1HE   LYS  36          1HE       LYS  36  -3.942 -12.729 -15.667
  321   2HE   LYS  36          2HE       LYS  36  -2.767 -13.070 -14.420
  322   1HZ   LYS  36          2HZ       LYS  36  -4.142 -11.613 -12.931
  323   2HZ   LYS  36          3HZ       LYS  36  -5.235 -11.461 -14.116
  324   3HZ   LYS  36          1HZ       LYS  36  -4.949 -12.931 -13.448
  325    H    GLU  37           H        GLU  37   0.084 -14.103 -13.559
  326    HA   GLU  37           HA       GLU  37  -2.519 -14.429 -12.417
  327   1HB   GLU  37          1HB       GLU  37  -2.092 -16.249 -13.409
  328   2HB   GLU  37          2HB       GLU  37  -0.368 -16.073 -13.397
  329   1HG   GLU  37          1HG       GLU  37  -1.897 -16.889 -10.879
  330   2HG   GLU  37          2HG       GLU  37  -1.463 -17.961 -12.182
  331    H    GLU  38           H        GLU  38   0.669 -14.664 -10.887
  332    HA   GLU  38           HA       GLU  38  -0.049 -15.326  -8.454
  333   1HB   GLU  38          1HB       GLU  38   2.308 -14.894  -8.988
  334   2HB   GLU  38          2HB       GLU  38   2.090 -13.146  -8.792
  335   1HG   GLU  38          1HG       GLU  38   2.987 -13.790  -6.753
  336   2HG   GLU  38          2HG       GLU  38   1.278 -13.666  -6.396
  337    H    ARG  39           H        ARG  39   0.005 -11.825  -9.364
  338    HA   ARG  39           HA       ARG  39  -0.950 -11.054  -6.856
  339   1HB   ARG  39          1HB       ARG  39  -1.280  -9.669  -9.579
  340   2HB   ARG  39          2HB       ARG  39  -1.637  -8.886  -8.024
  341   1HG   ARG  39          1HG       ARG  39   0.663  -9.216  -7.280
  342   2HG   ARG  39          2HG       ARG  39   1.064 -10.079  -8.763
  343   1HD   ARG  39          1HD       ARG  39  -0.098  -7.309  -9.015
  344   2HD   ARG  39          2HD       ARG  39   1.547  -7.429  -8.398
  345    HE   ARG  39           HE       ARG  39   1.843  -8.983 -10.535
  346   1HH1  ARG  39          2HH2      ARG  39  -0.191  -6.069 -10.689
  347   2HH1  ARG  39          1HH2      ARG  39   0.637  -5.509 -12.120
  348   1HH2  ARG  39          2HH1      ARG  39   3.024  -8.026 -12.235
  349   2HH2  ARG  39          1HH1      ARG  39   2.366  -6.572 -13.004
  350    H    GLU  40           H        GLU  40  -2.865 -11.861  -9.749
  351    HA   GLU  40           HA       GLU  40  -5.395 -11.056  -8.737
  352   1HB   GLU  40          1HB       GLU  40  -4.373 -12.643 -10.923
  353   2HB   GLU  40          2HB       GLU  40  -5.806 -13.392 -10.242
  354   1HG   GLU  40          1HG       GLU  40  -6.644 -11.946 -11.918
  355   2HG   GLU  40          2HG       GLU  40  -7.028 -11.197 -10.378
  356    H    THR  41           H        THR  41  -3.790 -14.229  -8.736
  357    HA   THR  41           HA       THR  41  -5.357 -15.677  -6.973
  358    HB   THR  41           HB       THR  41  -2.498 -15.630  -7.797
  359    HG1  THR  41          1HG       THR  41  -4.398 -17.693  -7.636
  360   1HG2  THR  41          3HG2      THR  41  -3.327 -17.144  -5.314
  361   2HG2  THR  41          1HG2      THR  41  -1.867 -17.479  -6.287
  362   3HG2  THR  41          2HG2      THR  41  -2.040 -15.927  -5.485
  363    H    LEU  42           H        LEU  42  -2.784 -13.299  -6.173
  364    HA   LEU  42           HA       LEU  42  -2.672 -13.953  -3.444
  365   1HB   LEU  42          1HB       LEU  42  -1.180 -12.438  -5.081
  366   2HB   LEU  42          2HB       LEU  42  -2.063 -11.125  -4.308
  367    HG   LEU  42           HG       LEU  42  -0.506 -13.344  -2.906
  368   1HD1  LEU  42          2HD1      LEU  42   0.935 -11.900  -4.330
  369   2HD1  LEU  42          3HD1      LEU  42   0.336 -10.476  -3.460
  370   3HD1  LEU  42          1HD1      LEU  42   1.285 -11.690  -2.597
  371   1HD2  LEU  42          1HD2      LEU  42  -2.197 -12.216  -1.462
  372   2HD2  LEU  42          2HD2      LEU  42  -0.525 -11.901  -0.971
  373   3HD2  LEU  42          3HD2      LEU  42  -1.446 -10.656  -1.833
  374    H    VAL  43           H        VAL  43  -4.575 -11.500  -5.223
  375    HA   VAL  43           HA       VAL  43  -5.938 -10.436  -2.942
  376    HB   VAL  43           HB       VAL  43  -7.007 -10.724  -5.794
  377   1HG1  VAL  43          1HG1      VAL  43  -7.772  -8.996  -3.384
  378   2HG1  VAL  43          2HG1      VAL  43  -8.405  -8.745  -5.018
  379   3HG1  VAL  43          3HG1      VAL  43  -8.776 -10.241  -4.151
  380   1HG2  VAL  43          1HG2      VAL  43  -5.552  -8.399  -4.493
  381   2HG2  VAL  43          2HG2      VAL  43  -4.915  -9.415  -5.803
  382   3HG2  VAL  43          3HG2      VAL  43  -6.339  -8.423  -6.096
  383    H    GLU  44           H        GLU  44  -6.770 -13.030  -5.211
  384    HA   GLU  44           HA       GLU  44  -9.274 -13.793  -4.250
  385   1HB   GLU  44          1HB       GLU  44  -7.754 -14.370  -6.360
  386   2HB   GLU  44          2HB       GLU  44  -7.243 -15.760  -5.408
  387   1HG   GLU  44          1HG       GLU  44 -10.115 -15.110  -6.148
  388   2HG   GLU  44          2HG       GLU  44  -9.004 -16.111  -7.108
  389    H    GLU  45           H        GLU  45  -6.252 -15.512  -3.611
  390    HA   GLU  45           HA       GLU  45  -6.956 -17.219  -1.562
  391   1HB   GLU  45          1HB       GLU  45  -4.788 -16.969  -2.976
  392   2HB   GLU  45          2HB       GLU  45  -4.310 -15.731  -1.829
  393   1HG   GLU  45          1HG       GLU  45  -3.223 -17.683  -1.190
  394   2HG   GLU  45          2HG       GLU  45  -4.600 -17.614  -0.072
  395    H    CYS  46           H        CYS  46  -5.650 -13.870  -1.246
  396    HA   CYS  46           HA       CYS  46  -5.779 -13.812   1.605
  397   1HB   CYS  46          1HB       CYS  46  -5.737 -11.673  -0.533
  398   2HB   CYS  46          2HB       CYS  46  -6.092 -11.236   1.123
  399    HG   CYS  46           HG       CYS  46  -3.501 -10.959   0.276
  400    H    ASN  47           H        ASN  47  -8.199 -13.023  -0.864
  401    HA   ASN  47           HA       ASN  47 -10.177 -11.808   0.841
  402   1HB   ASN  47          1HB       ASN  47 -10.178 -13.044  -1.931
  403   2HB   ASN  47          2HB       ASN  47 -11.706 -12.860  -1.120
  404   1HD2  ASN  47          2HD2      ASN  47  -9.593  -9.343  -1.692
  405   2HD2  ASN  47          1HD2      ASN  47  -8.758 -10.839  -1.263
  406    H    ARG  48           H        ARG  48  -9.543 -15.115  -0.291
  407    HA   ARG  48           HA       ARG  48 -11.530 -16.535   1.075
  408   1HB   ARG  48          1HB       ARG  48  -9.332 -17.156  -0.474
  409   2HB   ARG  48          2HB       ARG  48  -8.886 -17.838   1.098
  410   1HG   ARG  48          1HG       ARG  48 -11.200 -18.936   1.139
  411   2HG   ARG  48          2HG       ARG  48 -11.387 -18.392  -0.537
  412   1HD   ARG  48          1HD       ARG  48  -9.408 -20.365   0.658
  413   2HD   ARG  48          2HD       ARG  48 -10.520 -20.659  -0.679
  414    HE   ARG  48           HE       ARG  48  -7.824 -19.497  -0.749
  415   1HH1  ARG  48          2HH2      ARG  48 -10.902 -19.131  -2.396
  416   2HH1  ARG  48          1HH2      ARG  48 -10.154 -18.578  -3.853
  417   1HH2  ARG  48          2HH1      ARG  48  -6.867 -19.262  -2.741
  418   2HH2  ARG  48          1HH1      ARG  48  -7.864 -18.774  -4.131
  419    H    ALA  49           H        ALA  49  -8.187 -15.847   2.127
  420    HA   ALA  49           HA       ALA  49  -8.633 -16.888   4.762
  421   1HB   ALA  49          3HB       ALA  49  -6.436 -16.850   3.635
  422   2HB   ALA  49          1HB       ALA  49  -6.387 -15.075   3.764
  423   3HB   ALA  49          2HB       ALA  49  -6.366 -16.082   5.225
  424    H    GLU  50           H        GLU  50  -9.387 -13.714   3.539
  425    HA   GLU  50           HA       GLU  50  -9.640 -12.656   6.273
  426   1HB   GLU  50          1HB       GLU  50 -10.357 -11.470   3.606
  427   2HB   GLU  50          2HB       GLU  50 -10.834 -10.833   5.187
  428   1HG   GLU  50          1HG       GLU  50  -8.287 -10.867   5.784
  429   2HG   GLU  50          2HG       GLU  50  -8.055 -10.945   4.026
  430    H    CYS  51           H        CYS  51 -11.685 -14.233   3.750
  431    HA   CYS  51           HA       CYS  51 -13.998 -14.009   5.516
  432   1HB   CYS  51          1HB       CYS  51 -15.352 -14.915   3.951
  433   2HB   CYS  51          2HB       CYS  51 -14.234 -13.881   3.033
  434    HG   CYS  51           HG       CYS  51 -14.181 -17.180   3.384
  435    H    ILE  52           H        ILE  52 -12.105 -15.020   6.929
  436    HA   ILE  52           HA       ILE  52 -13.214 -17.597   7.799
  437    HB   ILE  52           HB       ILE  52 -10.233 -16.945   7.502
  438   1HG1  ILE  52          1HG1      ILE  52 -12.156 -18.716   6.107
  439   2HG1  ILE  52          2HG1      ILE  52 -10.909 -17.665   5.477
  440   1HG2  ILE  52          2HG2      ILE  52 -10.703 -18.074   9.704
  441   2HG2  ILE  52          3HG2      ILE  52 -11.539 -19.374   8.824
  442   3HG2  ILE  52          1HG2      ILE  52  -9.791 -19.107   8.612
  443   1HD1  ILE  52          1HD1      ILE  52  -9.146 -19.230   6.244
  444   2HD1  ILE  52          2HD1      ILE  52 -10.427 -20.377   6.731
  445   3HD1  ILE  52          3HD1      ILE  52 -10.241 -19.916   5.035
  446    H    GLN  53           H        GLN  53 -10.848 -15.033   8.569
  447    HA   GLN  53           HA       GLN  53 -10.899 -15.147  11.302
  448   1HB   GLN  53          1HB       GLN  53 -10.335 -12.641  11.245
  449   2HB   GLN  53          2HB       GLN  53  -9.267 -13.741  10.360
  450   1HG   GLN  53          1HG       GLN  53 -10.235 -13.152   8.275
  451   2HG   GLN  53          2HG       GLN  53 -11.554 -12.232   9.025
  452   1HE2  GLN  53          2HE2      GLN  53  -7.928 -10.485   8.391
  453   2HE2  GLN  53          1HE2      GLN  53  -8.085 -12.205   8.180
  454    H    ARG  54           H        ARG  54 -13.368 -13.450   9.299
  455    HA   ARG  54           HA       ARG  54 -14.956 -12.960  11.774
  456   1HB   ARG  54          1HB       ARG  54 -14.699 -11.101   9.371
  457   2HB   ARG  54          2HB       ARG  54 -15.731 -10.922  10.796
  458   1HG   ARG  54          1HG       ARG  54 -13.607 -10.933  12.214
  459   2HG   ARG  54          2HG       ARG  54 -12.687 -10.761  10.713
  460   1HD   ARG  54          1HD       ARG  54 -14.849  -8.878  11.743
  461   2HD   ARG  54          2HD       ARG  54 -13.110  -8.576  11.861
  462    HE   ARG  54           HE       ARG  54 -13.448  -8.872   9.153
  463   1HH1  ARG  54          2HH2      ARG  54 -14.792  -6.564  11.578
  464   2HH1  ARG  54          1HH2      ARG  54 -15.600  -5.665  10.304
  465   1HH2  ARG  54          2HH1      ARG  54 -14.238  -7.474   7.666
  466   2HH2  ARG  54          1HH1      ARG  54 -15.260  -6.079   8.130
  467    H    GLY  55           H        GLY  55 -14.855 -15.290  10.068
  468   1HA   GLY  55          1HA       GLY  55 -16.097 -16.623   8.751
  469   2HA   GLY  55          2HA       GLY  55 -17.529 -15.721   9.286
  470    H    VAL  56           H        VAL  56 -17.992 -13.774   8.128
  471    HA   VAL  56           HA       VAL  56 -19.022 -13.093   6.237
  472    HB   VAL  56           HB       VAL  56 -16.086 -12.851   5.625
  473   1HG1  VAL  56          2HG1      VAL  56 -18.302 -12.052   3.699
  474   2HG1  VAL  56          3HG1      VAL  56 -16.637 -11.448   3.657
  475   3HG1  VAL  56          1HG1      VAL  56 -16.932 -13.156   3.390
  476   1HG2  VAL  56          1HG2      VAL  56 -17.212 -11.359   7.247
  477   2HG2  VAL  56          2HG2      VAL  56 -16.676 -10.459   5.815
  478   3HG2  VAL  56          3HG2      VAL  56 -18.388 -10.885   5.999
  479    H    SER  57           H        SER  57 -20.118 -13.658   4.471
  480    HA   SER  57           HA       SER  57 -20.094 -16.362   3.562
  481   1HB   SER  57          1HB       SER  57 -21.607 -13.945   3.168
  482   2HB   SER  57          2HB       SER  57 -21.270 -14.668   1.588
  483    HG   SER  57           HG       SER  57 -23.169 -15.562   2.516
  484    HA   PRO  58           HA       PRO  58 -16.411 -15.759   1.071
  485   1HB   PRO  58          1HB       PRO  58 -16.622 -17.812  -0.794
  486   2HB   PRO  58          2HB       PRO  58 -16.090 -18.009   0.896
  487   1HG   PRO  58          1HG       PRO  58 -18.866 -18.448  -0.226
  488   2HG   PRO  58          2HG       PRO  58 -17.946 -19.510   0.878
  489   1HD   PRO  58          1HD       PRO  58 -19.833 -17.818   1.824
  490   2HD   PRO  58          2HD       PRO  58 -18.297 -18.025   2.723
  491    H    SER  59           H        SER  59 -19.508 -16.161  -0.649
  492    HA   SER  59           HA       SER  59 -18.853 -14.904  -3.102
  493   1HB   SER  59          1HB       SER  59 -21.416 -14.313  -2.864
  494   2HB   SER  59          2HB       SER  59 -20.892 -15.995  -3.039
  495    HG   SER  59           HG       SER  59 -22.311 -15.871  -1.290
  496    H    GLN  60           H        GLN  60 -19.299 -13.603   0.115
  497    HA   GLN  60           HA       GLN  60 -19.257 -10.820  -0.904
  498   1HB   GLN  60          1HB       GLN  60 -21.219 -11.798   0.561
  499   2HB   GLN  60          2HB       GLN  60 -20.063 -11.711   1.893
  500   1HG   GLN  60          1HG       GLN  60 -19.869  -9.236   1.480
  501   2HG   GLN  60          2HG       GLN  60 -21.024  -9.386   0.154
  502   1HE2  GLN  60          2HE2      GLN  60 -23.864  -9.811   2.309
  503   2HE2  GLN  60          1HE2      GLN  60 -23.261 -10.071   0.685
  504    H    ALA  61           H        ALA  61 -17.019 -12.761  -0.561
  505    HA   ALA  61           HA       ALA  61 -15.352 -11.733   1.561
  506   1HB   ALA  61          3HB       ALA  61 -14.899 -13.928   0.564
  507   2HB   ALA  61          1HB       ALA  61 -14.493 -13.145  -0.986
  508   3HB   ALA  61          2HB       ALA  61 -13.509 -12.849   0.462
  509    H    GLN  62           H        GLN  62 -16.313 -10.549  -1.535
  510    HA   GLN  62           HA       GLN  62 -14.173  -8.564  -1.742
  511   1HB   GLN  62          1HB       GLN  62 -16.143  -9.695  -3.462
  512   2HB   GLN  62          2HB       GLN  62 -16.540  -7.998  -3.374
  513   1HG   GLN  62          1HG       GLN  62 -13.780  -9.176  -4.014
  514   2HG   GLN  62          2HG       GLN  62 -14.967  -8.693  -5.225
  515   1HE2  GLN  62          2HE2      GLN  62 -14.397  -5.125  -3.718
  516   2HE2  GLN  62          1HE2      GLN  62 -15.589  -6.278  -3.220
  517    H    GLY  63           H        GLY  63 -16.641  -8.813   0.520
  518   1HA   GLY  63          1HA       GLY  63 -17.487  -5.967   0.394
  519   2HA   GLY  63          2HA       GLY  63 -18.024  -7.222   1.507
  520    H    LEU  64           H        LEU  64 -16.935  -7.496   3.380
  521    HA   LEU  64           HA       LEU  64 -15.715  -7.149   5.211
  522   1HB   LEU  64          1HB       LEU  64 -13.620  -6.733   3.113
  523   2HB   LEU  64          2HB       LEU  64 -13.283  -6.663   4.848
  524    HG   LEU  64           HG       LEU  64 -14.027  -8.981   5.137
  525   1HD1  LEU  64          3HD1      LEU  64 -14.735  -8.817   2.220
  526   2HD1  LEU  64          1HD1      LEU  64 -14.429 -10.356   3.065
  527   3HD1  LEU  64          2HD1      LEU  64 -15.762  -9.317   3.581
  528   1HD2  LEU  64          2HD2      LEU  64 -12.089  -8.513   2.825
  529   2HD2  LEU  64          3HD2      LEU  64 -11.686  -8.565   4.542
  530   3HD2  LEU  64          1HD2      LEU  64 -12.241 -10.029   3.711
  531    H    GLY  65           H        GLY  65 -14.819  -4.480   2.994
  532   1HA   GLY  65          1HA       GLY  65 -14.697  -2.229   3.329
  533   2HA   GLY  65          2HA       GLY  65 -15.616  -2.396   4.837
  534    H    SER  66           H        SER  66 -14.261  -3.736   6.515
  535    HA   SER  66           HA       SER  66 -12.621  -2.171   7.900
  536   1HB   SER  66          1HB       SER  66 -13.478  -4.257   8.748
  537   2HB   SER  66          2HB       SER  66 -12.571  -5.199   7.559
  538    HG   SER  66           HG       SER  66 -11.108  -5.330   9.012
  539    H    ASN  67           H        ASN  67 -11.267  -4.781   5.796
  540    HA   ASN  67           HA       ASN  67  -8.914  -3.109   5.138
  541   1HB   ASN  67          1HB       ASN  67  -9.186  -5.094   7.333
  542   2HB   ASN  67          2HB       ASN  67  -7.840  -5.461   6.300
  543   1HD2  ASN  67          2HD2      ASN  67  -7.323  -2.725   9.131
  544   2HD2  ASN  67          1HD2      ASN  67  -8.270  -4.206   9.155
  545    H    LEU  68           H        LEU  68 -11.040  -4.304   3.609
  546    HA   LEU  68           HA       LEU  68 -10.614  -6.777   2.554
  547   1HB   LEU  68          1HB       LEU  68 -12.430  -5.446   1.825
  548   2HB   LEU  68          2HB       LEU  68 -11.372  -4.215   1.114
  549    HG   LEU  68           HG       LEU  68 -10.603  -6.022  -0.534
  550   1HD1  LEU  68          1HD1      LEU  68 -12.984  -7.525   0.584
  551   2HD1  LEU  68          2HD1      LEU  68 -12.072  -7.941  -0.885
  552   3HD1  LEU  68          3HD1      LEU  68 -11.281  -8.037   0.685
  553   1HD2  LEU  68          2HD2      LEU  68 -12.154  -4.255  -1.134
  554   2HD2  LEU  68          3HD2      LEU  68 -12.507  -5.784  -1.965
  555   3HD2  LEU  68          1HD2      LEU  68 -13.502  -5.277  -0.576
  556    H    VAL  69           H        VAL  69  -8.937  -7.745   1.708
  557    HA   VAL  69           HA       VAL  69  -6.728  -6.313   0.438
  558    HB   VAL  69           HB       VAL  69  -7.376  -9.273   0.293
  559   1HG1  VAL  69          2HG1      VAL  69  -4.909  -7.631  -0.465
  560   2HG1  VAL  69          3HG1      VAL  69  -5.022  -9.410  -0.509
  561   3HG1  VAL  69          1HG1      VAL  69  -5.982  -8.442  -1.612
  562   1HG2  VAL  69          3HG2      VAL  69  -5.566  -7.564   2.077
  563   2HG2  VAL  69          1HG2      VAL  69  -6.902  -8.601   2.593
  564   3HG2  VAL  69          2HG2      VAL  69  -5.423  -9.325   1.968
  565    H    THR  70           H        THR  70  -6.666  -5.557  -1.525
  566    HA   THR  70           HA       THR  70  -8.505  -6.472  -3.668
  567    HB   THR  70           HB       THR  70  -8.655  -4.064  -4.353
  568    HG1  THR  70          1HG       THR  70  -7.385  -3.626  -1.859
  569   1HG2  THR  70          2HG2      THR  70 -10.369  -5.018  -2.782
  570   2HG2  THR  70          3HG2      THR  70  -9.397  -4.439  -1.414
  571   3HG2  THR  70          1HG2      THR  70 -10.090  -3.276  -2.528
  572    H    GLU  71           H        GLU  71  -7.608  -5.806  -5.843
  573    HA   GLU  71           HA       GLU  71  -4.981  -6.654  -6.278
  574   1HB   GLU  71          1HB       GLU  71  -6.731  -6.509  -7.971
  575   2HB   GLU  71          2HB       GLU  71  -6.665  -4.739  -7.969
  576   1HG   GLU  71          1HG       GLU  71  -4.126  -6.322  -8.442
  577   2HG   GLU  71          2HG       GLU  71  -5.329  -6.237  -9.715
  578    H    VAL  72           H        VAL  72  -6.099  -3.251  -6.167
  579    HA   VAL  72           HA       VAL  72  -3.567  -2.109  -6.325
  580    HB   VAL  72           HB       VAL  72  -5.714  -0.918  -6.581
  581   1HG1  VAL  72          1HG1      VAL  72  -5.940  -1.105  -3.543
  582   2HG1  VAL  72          2HG1      VAL  72  -6.931  -0.070  -4.580
  583   3HG1  VAL  72          3HG1      VAL  72  -7.023  -1.827  -4.744
  584   1HG2  VAL  72          3HG2      VAL  72  -3.595   0.344  -6.149
  585   2HG2  VAL  72          1HG2      VAL  72  -5.076   1.196  -5.679
  586   3HG2  VAL  72          2HG2      VAL  72  -4.067   0.449  -4.436
  587    H    ARG  73           H        ARG  73  -4.907  -3.831  -3.614
  588    HA   ARG  73           HA       ARG  73  -3.225  -2.656  -1.559
  589   1HB   ARG  73          1HB       ARG  73  -5.488  -4.160  -1.570
  590   2HB   ARG  73          2HB       ARG  73  -4.313  -5.451  -1.291
  591   1HG   ARG  73          1HG       ARG  73  -4.958  -4.776   0.848
  592   2HG   ARG  73          2HG       ARG  73  -3.435  -3.896   0.580
  593   1HD   ARG  73          1HD       ARG  73  -4.993  -2.252   1.416
  594   2HD   ARG  73          2HD       ARG  73  -4.844  -1.977  -0.279
  595    HE   ARG  73           HE       ARG  73  -7.086  -3.617   0.900
  596   1HH1  ARG  73          2HH2      ARG  73  -6.144  -0.622  -0.824
  597   2HH1  ARG  73          1HH2      ARG  73  -7.808  -0.142  -1.046
  598   1HH2  ARG  73          2HH1      ARG  73  -9.125  -3.054   0.490
  599   2HH2  ARG  73          1HH1      ARG  73  -9.596  -1.617  -0.399
  600    H    VAL  74           H        VAL  74  -3.289  -5.679  -3.428
  601    HA   VAL  74           HA       VAL  74  -0.845  -6.828  -2.525
  602    HB   VAL  74           HB       VAL  74  -2.392  -7.021  -5.166
  603   1HG1  VAL  74          3HG1      VAL  74   0.069  -8.468  -4.192
  604   2HG1  VAL  74          1HG1      VAL  74  -1.047  -9.185  -5.383
  605   3HG1  VAL  74          2HG1      VAL  74  -0.209  -7.669  -5.749
  606   1HG2  VAL  74          1HG2      VAL  74  -3.600  -7.818  -3.142
  607   2HG2  VAL  74          2HG2      VAL  74  -3.168  -9.140  -4.230
  608   3HG2  VAL  74          3HG2      VAL  74  -2.222  -8.860  -2.758
  609    H    TYR  75           H        TYR  75  -1.678  -4.681  -5.316
  610    HA   TYR  75           HA       TYR  75   0.880  -4.275  -6.371
  611   1HB   TYR  75          1HB       TYR  75  -1.435  -3.447  -7.223
  612   2HB   TYR  75          2HB       TYR  75  -1.220  -2.090  -6.145
  613    HD1  TYR  75          1HD       TYR  75   0.789  -0.582  -6.379
  614    HD2  TYR  75          2HD       TYR  75  -0.260  -3.510  -9.357
  615    HE1  TYR  75          1HE       TYR  75   2.128   0.649  -8.060
  616    HE2  TYR  75          2HE       TYR  75   1.081  -2.271 -11.040
  617    HH   TYR  75           HH       TYR  75   2.014   0.967 -10.507
  618    H    ASN  76           H        ASN  76  -0.847  -2.370  -3.873
  619    HA   ASN  76           HA       ASN  76   1.098  -0.443  -3.406
  620   1HB   ASN  76          1HB       ASN  76  -1.227  -1.480  -1.840
  621   2HB   ASN  76          2HB       ASN  76   0.053  -0.798  -0.862
  622   1HD2  ASN  76          2HD2      ASN  76  -2.176   1.746  -3.108
  623   2HD2  ASN  76          1HD2      ASN  76  -2.305  -0.012  -3.339
  624    H    TRP  77           H        TRP  77   0.727  -3.568  -1.608
  625    HA   TRP  77           HA       TRP  77   3.097  -2.880  -0.085
  626   1HB   TRP  77          1HB       TRP  77   2.724  -4.542   1.250
  627   2HB   TRP  77          2HB       TRP  77   1.123  -4.532   0.542
  628    HD1  TRP  77           HD       TRP  77   1.210  -6.380  -1.756
  629    HE1  TRP  77          1HE       TRP  77   2.363  -8.633  -2.011
  630    HE3  TRP  77          3HE       TRP  77   3.968  -6.300   2.535
  631    HZ2  TRP  77          2HZ       TRP  77   4.108 -10.273  -0.439
  632    HZ3  TRP  77          3HZ       TRP  77   5.212  -8.333   3.221
  633    HH2  TRP  77           HH       TRP  77   5.405 -10.268   1.654
  634    H    PHE  78           H        PHE  78   2.571  -5.119  -2.965
  635    HA   PHE  78           HA       PHE  78   5.293  -5.951  -2.879
  636   1HB   PHE  78          1HB       PHE  78   3.317  -5.784  -5.180
  637   2HB   PHE  78          2HB       PHE  78   4.969  -6.333  -5.407
  638    HD1  PHE  78          2HD       PHE  78   5.345  -8.054  -2.859
  639    HD2  PHE  78          1HD       PHE  78   2.270  -7.842  -5.895
  640    HE1  PHE  78          2HE       PHE  78   4.867 -10.429  -2.581
  641    HE2  PHE  78          1HE       PHE  78   2.039 -10.317  -5.776
  642    HZ   PHE  78           HZ       PHE  78   3.391 -11.630  -4.117
  643    H    ALA  79           H        ALA  79   3.864  -3.017  -4.225
  644    HA   ALA  79           HA       ALA  79   6.245  -2.060  -5.469
  645   1HB   ALA  79          3HB       ALA  79   3.912  -0.545  -4.224
  646   2HB   ALA  79          1HB       ALA  79   5.190   0.164  -5.221
  647   3HB   ALA  79          2HB       ALA  79   4.088  -1.039  -5.920
  648    H    ASN  80           H        ASN  80   4.976  -1.571  -2.125
  649    HA   ASN  80           HA       ASN  80   7.342   0.092  -1.524
  650   1HB   ASN  80          1HB       ASN  80   5.240   0.980  -0.720
  651   2HB   ASN  80          2HB       ASN  80   4.754  -0.580  -0.049
  652   1HD2  ASN  80          2HD2      ASN  80   6.528  -0.319   3.003
  653   2HD2  ASN  80          1HD2      ASN  80   5.553  -1.301   1.975
  654    H    ARG  81           H        ARG  81   5.997  -2.940  -0.290
  655    HA   ARG  81           HA       ARG  81   7.647  -3.653   1.740
  656   1HB   ARG  81          1HB       ARG  81   5.837  -5.081   0.781
  657   2HB   ARG  81          2HB       ARG  81   6.885  -5.460  -0.595
  658   1HG   ARG  81          1HG       ARG  81   6.907  -7.275   1.000
  659   2HG   ARG  81          2HG       ARG  81   8.516  -6.552   0.946
  660   1HD   ARG  81          1HD       ARG  81   8.176  -5.393   3.029
  661   2HD   ARG  81          2HD       ARG  81   6.432  -5.725   3.008
  662    HE   ARG  81           HE       ARG  81   7.878  -8.211   3.132
  663   1HH1  ARG  81          2HH2      ARG  81   7.180  -5.308   5.064
  664   2HH1  ARG  81          1HH2      ARG  81   7.069  -6.166   6.567
  665   1HH2  ARG  81          2HH1      ARG  81   7.873  -9.314   5.031
  666   2HH2  ARG  81          1HH1      ARG  81   7.599  -8.531   6.588
  667    H    ARG  82           H        ARG  82   8.337  -3.749  -1.731
  668    HA   ARG  82           HA       ARG  82  10.820  -4.817  -1.898
  669   1HB   ARG  82          1HB       ARG  82   9.261  -3.896  -3.683
  670   2HB   ARG  82          2HB       ARG  82   9.826  -2.277  -3.260
  671   1HG   ARG  82          1HG       ARG  82  10.878  -3.052  -5.246
  672   2HG   ARG  82          2HG       ARG  82  12.055  -2.805  -3.956
  673   1HD   ARG  82          1HD       ARG  82  12.528  -4.925  -5.230
  674   2HD   ARG  82          2HD       ARG  82  12.170  -5.278  -3.547
  675    HE   ARG  82           HE       ARG  82   9.909  -5.330  -5.496
  676   1HH1  ARG  82          2HH2      ARG  82  11.927  -7.341  -3.343
  677   2HH1  ARG  82          1HH2      ARG  82  11.198  -8.795  -3.874
  678   1HH2  ARG  82          2HH1      ARG  82   8.946  -7.088  -6.067
  679   2HH2  ARG  82          1HH1      ARG  82   9.472  -8.716  -5.676
  680    H    LYS  83           H        LYS  83  10.155  -1.452  -0.838
  681    HA   LYS  83           HA       LYS  83  13.027  -0.889  -0.425
  682   1HB   LYS  83          1HB       LYS  83  10.544   0.746  -0.611
  683   2HB   LYS  83          2HB       LYS  83  11.598   1.203   0.723
  684   1HG   LYS  83          1HG       LYS  83  12.177   2.478  -1.283
  685   2HG   LYS  83          2HG       LYS  83  13.513   1.442  -0.763
  686   1HD   LYS  83          1HD       LYS  83  12.674  -0.288  -2.489
  687   2HD   LYS  83          2HD       LYS  83  11.548   0.937  -3.046
  688   1HE   LYS  83          1HE       LYS  83  13.395   2.361  -3.772
  689   2HE   LYS  83          2HE       LYS  83  14.581   1.353  -2.913
  690   1HZ   LYS  83          2HZ       LYS  83  14.059  -0.456  -4.391
  691   2HZ   LYS  83          3HZ       LYS  83  12.960   0.482  -5.201
  692   3HZ   LYS  83          1HZ       LYS  83  14.560   0.855  -5.266
  693    H    GLU  84           H        GLU  84  10.181  -1.498   1.480
  694    HA   GLU  84           HA       GLU  84  11.190  -1.292   4.098
  695   1HB   GLU  84          1HB       GLU  84   8.909  -2.196   2.800
  696   2HB   GLU  84          2HB       GLU  84   9.558  -3.702   3.451
  697   1HG   GLU  84          1HG       GLU  84   9.289  -2.903   5.676
  698   2HG   GLU  84          2HG       GLU  84   9.051  -1.234   5.146
  699    H    GLU  85           H        GLU  85  11.520  -3.777   1.679
  700    HA   GLU  85           HA       GLU  85  12.911  -5.806   3.162
  701   1HB   GLU  85          1HB       GLU  85  11.452  -6.361   1.330
  702   2HB   GLU  85          2HB       GLU  85  12.247  -5.233   0.242
  703   1HG   GLU  85          1HG       GLU  85  14.231  -6.659   0.114
  704   2HG   GLU  85          2HG       GLU  85  13.450  -7.832   1.195
  705    H    ALA  86           H        ALA  86  13.842  -3.681   0.419
  706    HA   ALA  86           HA       ALA  86  16.522  -4.304   0.321
  707   1HB   ALA  86          2HB       ALA  86  15.389  -3.034  -1.384
  708   2HB   ALA  86          3HB       ALA  86  15.255  -1.619  -0.302
  709   3HB   ALA  86          1HB       ALA  86  16.850  -2.180  -0.853
  710    H    PHE  87           H        PHE  87  14.952  -1.978   2.448
  711    HA   PHE  87           HA       PHE  87  17.223  -0.664   3.477
  712   1HB   PHE  87          1HB       PHE  87  15.213   0.216   4.000
  713   2HB   PHE  87          2HB       PHE  87  14.468  -1.312   4.493
  714    HD1  PHE  87          2HD       PHE  87  15.287  -2.362   6.763
  715    HD2  PHE  87          1HD       PHE  87  15.488   1.815   5.666
  716    HE1  PHE  87          2HE       PHE  87  15.467  -1.728   9.144
  717    HE2  PHE  87          1HE       PHE  87  15.307   2.420   8.044
  718    HZ   PHE  87           HZ       PHE  87  15.413   0.665   9.794
  719    H    ARG  88           H        ARG  88  15.862  -3.791   4.635
  720    HA   ARG  88           HA       ARG  88  18.172  -4.087   6.443
  721   1HB   ARG  88          1HB       ARG  88  15.702  -4.637   7.032
  722   2HB   ARG  88          2HB       ARG  88  15.847  -5.976   5.913
  723   1HG   ARG  88          1HG       ARG  88  16.105  -6.851   8.053
  724   2HG   ARG  88          2HG       ARG  88  17.729  -6.884   7.379
  725   1HD   ARG  88          1HD       ARG  88  16.760  -4.565   9.112
  726   2HD   ARG  88          2HD       ARG  88  17.327  -6.090   9.817
  727    HE   ARG  88           HE       ARG  88  19.313  -5.318   8.023
  728   1HH1  ARG  88          2HH2      ARG  88  17.836  -4.090  11.053
  729   2HH1  ARG  88          1HH2      ARG  88  19.402  -3.624  11.713
  730   1HH2  ARG  88          2HH1      ARG  88  21.346  -4.703   9.097
  731   2HH2  ARG  88          1HH1      ARG  88  21.288  -3.497  10.331
  732    H    HIS  89           H        HIS  89  17.052  -5.159   3.301
  733    HA   HIS  89           HA       HIS  89  18.692  -7.522   3.235
  734   1HB   HIS  89          1HB       HIS  89  16.495  -7.007   1.937
  735   2HB   HIS  89          2HB       HIS  89  17.544  -6.165   0.796
  736    HD1  HIS  89          1HD       HIS  89  19.882  -8.597   1.117
  737    HD2  HIS  89          2HD       HIS  89  15.792  -8.812   0.115
  738    HE1  HIS  89          1HE       HIS  89  19.562 -10.749  -0.208
  739    H    LYS  90           H        LYS  90  19.211  -4.140   2.293
  740    HA   LYS  90           HA       LYS  90  21.137  -4.536   0.274
  741   1HB   LYS  90          1HB       LYS  90  21.785  -2.201   0.699
  742   2HB   LYS  90          2HB       LYS  90  20.054  -2.434   0.629
  743   1HG   LYS  90          1HG       LYS  90  20.084  -2.483   3.207
  744   2HG   LYS  90          2HG       LYS  90  21.726  -1.855   3.128
  745   1HD   LYS  90          1HD       LYS  90  19.376  -0.541   1.727
  746   2HD   LYS  90          2HD       LYS  90  19.770  -0.186   3.402
  747   1HE   LYS  90          1HE       LYS  90  22.029   0.021   1.399
  748   2HE   LYS  90          2HE       LYS  90  20.755   1.238   1.307
  749   1HZ   LYS  90          3HZ       LYS  90  22.320   0.718   3.774
  750   2HZ   LYS  90          1HZ       LYS  90  22.538   1.946   2.751
  751   3HZ   LYS  90          2HZ       LYS  90  21.121   1.853   3.529
  752    H    LEU  91           H        LEU  91  21.723  -3.839   3.730
  753    HA   LEU  91           HA       LEU  91  24.391  -4.675   3.602
  754   1HB   LEU  91          1HB       LEU  91  24.192  -4.410   6.151
  755   2HB   LEU  91          2HB       LEU  91  23.540  -3.032   5.271
  756    HG   LEU  91           HG       LEU  91  21.258  -4.525   5.436
  757   1HD1  LEU  91          3HD1      LEU  91  22.476  -6.402   6.638
  758   2HD1  LEU  91          1HD1      LEU  91  22.771  -5.270   7.949
  759   3HD1  LEU  91          2HD1      LEU  91  21.103  -5.717   7.453
  760   1HD2  LEU  91          3HD2      LEU  91  21.572  -2.211   6.181
  761   2HD2  LEU  91          1HD2      LEU  91  20.605  -3.163   7.299
  762   3HD2  LEU  91          2HD2      LEU  91  22.309  -2.801   7.688
  763    H    ALA  92           H        ALA  92  25.181  -6.580   4.868
  764    HA   ALA  92           HA       ALA  92  25.388  -8.815   4.629
  765   1HB   ALA  92          2HB       ALA  92  23.713  -8.855   6.475
  766   2HB   ALA  92          3HB       ALA  92  22.401  -8.947   5.297
  767   3HB   ALA  92          1HB       ALA  92  23.566 -10.269   5.416
  768    H    MET  93           H        MET  93  24.411  -7.031   2.331
  769    HA   MET  93           HA       MET  93  24.896  -9.078   0.461
  770   1HB   MET  93          1HB       MET  93  22.318  -8.954   0.498
  771   2HB   MET  93          2HB       MET  93  22.478  -7.252   0.028
  772   1HG   MET  93          1HG       MET  93  23.507  -7.937  -2.107
  773   2HG   MET  93          2HG       MET  93  23.453  -9.626  -1.594
  774   1HE   MET  93          1HE       MET  93  21.371  -6.467  -2.576
  775   2HE   MET  93          2HE       MET  93  19.708  -7.107  -2.612
  776   3HE   MET  93          3HE       MET  93  20.544  -6.908  -1.060
  777    H    ASP  94           H        ASP  94  26.499  -7.669   1.501
  778    HA   ASP  94           HA       ASP  94  27.591  -5.878   1.939
  779   1HB   ASP  94          1HB       ASP  94  28.970  -6.942   0.400
  780   2HB   ASP  94          2HB       ASP  94  28.249  -5.965  -0.936
  781    H    THR  95           H        THR  95  26.096  -4.619   2.600
  782    HA   THR  95           HA       THR  95  26.808  -2.058   1.565
  783    HB   THR  95           HB       THR  95  23.891  -1.927   2.158
  784    HG1  THR  95          1HG       THR  95  24.880  -3.225  -0.123
  785   1HG2  THR  95          3HG2      THR  95  25.715  -0.676   0.053
  786   2HG2  THR  95          1HG2      THR  95  23.997  -0.309   0.214
  787   3HG2  THR  95          2HG2      THR  95  25.114   0.132   1.519
  788    H    TYR  96           H        TYR  96  26.008  -0.327   3.180
  789    HA   TYR  96           HA       TYR  96  25.454  -1.294   5.895
  790   1HB   TYR  96          1HB       TYR  96  27.932  -1.323   5.655
  791   2HB   TYR  96          2HB       TYR  96  27.904   0.354   5.127
  792    HD1  TYR  96          2HD       TYR  96  25.842  -0.894   8.040
  793    HD2  TYR  96          1HD       TYR  96  29.552   0.944   6.794
  794    HE1  TYR  96          2HE       TYR  96  26.269  -0.174  10.344
  795    HE2  TYR  96          1HE       TYR  96  29.960   1.658   9.133
  796    HH   TYR  96           HH       TYR  96  27.806   0.829  11.799
  797    H    LYS  97           H        LYS  97  26.363   1.711   6.372
  798    HA   LYS  97           HA       LYS  97  25.330   3.709   6.519
  799   1HB   LYS  97          1HB       LYS  97  24.958   3.153   3.564
  800   2HB   LYS  97          2HB       LYS  97  25.089   4.699   4.431
  801   1HG   LYS  97          1HG       LYS  97  27.428   4.065   5.112
  802   2HG   LYS  97          2HG       LYS  97  27.287   2.624   4.117
  803   1HD   LYS  97          1HD       LYS  97  27.838   3.727   2.268
  804   2HD   LYS  97          2HD       LYS  97  26.471   4.819   2.442
  805   1HE   LYS  97          1HE       LYS  97  29.249   5.197   3.670
  806   2HE   LYS  97          2HE       LYS  97  28.596   6.029   2.254
  807   1HZ   LYS  97          2HZ       LYS  97  26.841   6.929   3.763
  808   2HZ   LYS  97          3HZ       LYS  97  27.630   6.306   5.032
  809   3HZ   LYS  97          1HZ       LYS  97  28.360   7.446   4.117
  810    H    LEU  98           H        LEU  98  23.664   2.340   7.721
  811    HA   LEU  98           HA       LEU  98  21.229   3.022   8.045
  812   1HB   LEU  98          1HB       LEU  98  20.574   2.967   5.686
  813   2HB   LEU  98          2HB       LEU  98  20.980   1.235   5.592
  814    HG   LEU  98           HG       LEU  98  18.571   1.719   5.625
  815   1HD1  LEU  98          1HD1      LEU  98  19.504  -0.387   6.718
  816   2HD1  LEU  98          2HD1      LEU  98  19.150   0.424   8.265
  817   3HD1  LEU  98          3HD1      LEU  98  17.865   0.100   7.133
  818   1HD2  LEU  98          3HD2      LEU  98  18.848   3.839   7.017
  819   2HD2  LEU  98          1HD2      LEU  98  17.494   2.806   7.472
  820   3HD2  LEU  98          2HD2      LEU  98  18.959   2.799   8.448
  821    H    ASN  99           H        ASN  99  21.429   2.005   9.957
  822    HA   ASN  99           HA       ASN  99  21.745   0.415  11.533
  823   1HB   ASN  99          2HB       ASN  99  19.650  -0.951   9.825
  824   2HB   ASN  99          3HB       ASN  99  20.093  -1.416  11.458
  825   1HD2  ASN  99          2HD2      ASN  99  18.726   1.335  13.164
  826   2HD2  ASN  99          1HD2      ASN  99  19.532  -0.223  13.274
   
  No H/Q in entry =         826
  Start of MODEL    6
    1   1H    MET   0          1H        MET   0   3.825  24.119   7.420
    2   2H    MET   0          2H        MET   0   4.003  23.994   9.078
    3   3H    MET   0          3H        MET   0   4.986  24.976   8.188
    4    HA   MET   0           HA       MET   0   6.250  23.144   8.743
    5   1HB   MET   0          2HB       MET   0   5.573  20.852   8.114
    6   2HB   MET   0          3HB       MET   0   4.636  21.543   9.409
    7   1HG   MET   0          2HG       MET   0   3.636  21.557   6.532
    8   2HG   MET   0          3HG       MET   0   3.341  20.247   7.666
    9   1HE   MET   0          1HE       MET   0   1.114  21.901   6.028
   10   2HE   MET   0          2HE       MET   0   0.743  20.502   7.057
   11   3HE   MET   0          3HE       MET   0  -0.147  22.026   7.278
   12    H    ALA   1           H        ALA   1   6.618  24.969   6.884
   13    HA   ALA   1           HA       ALA   1   7.127  25.523   4.742
   14   1HB   ALA   1          3HB       ALA   1   8.911  23.115   5.246
   15   2HB   ALA   1          1HB       ALA   1   9.118  24.289   3.926
   16   3HB   ALA   1          2HB       ALA   1   9.249  24.822   5.605
   17    H    ARG   2           H        ARG   2   7.928  22.357   3.579
   18    HA   ARG   2           HA       ARG   2   5.237  21.788   2.593
   19   1HB   ARG   2          1HB       ARG   2   6.126  21.485   0.223
   20   2HB   ARG   2          2HB       ARG   2   5.842  23.136   0.734
   21   1HG   ARG   2          1HG       ARG   2   8.638  22.124   1.185
   22   2HG   ARG   2          2HG       ARG   2   8.122  22.284  -0.489
   23   1HD   ARG   2          1HD       ARG   2   7.492  24.650  -0.149
   24   2HD   ARG   2          2HD       ARG   2   7.901  24.546   1.552
   25    HE   ARG   2           HE       ARG   2  10.122  24.765   1.119
   26   1HH1  ARG   2          2HH2      ARG   2   8.431  24.049  -1.950
   27   2HH1  ARG   2          1HH2      ARG   2   9.768  24.477  -2.947
   28   1HH2  ARG   2          2HH1      ARG   2  11.931  25.374  -0.239
   29   2HH2  ARG   2          1HH1      ARG   2  11.754  25.220  -1.967
   30    H    ILE   3           H        ILE   3   6.300  20.507   4.548
   31    HA   ILE   3           HA       ILE   3   8.021  18.320   3.803
   32    HB   ILE   3           HB       ILE   3   7.275  17.241   5.860
   33   1HG1  ILE   3          1HG1      ILE   3   5.365  19.576   6.257
   34   2HG1  ILE   3          2HG1      ILE   3   4.861  17.966   5.759
   35   1HG2  ILE   3          1HG2      ILE   3   9.057  18.961   5.867
   36   2HG2  ILE   3          2HG2      ILE   3   7.864  20.204   6.268
   37   3HG2  ILE   3          3HG2      ILE   3   8.206  18.891   7.408
   38   1HD1  ILE   3          1HD1      ILE   3   6.250  18.540   8.400
   39   2HD1  ILE   3          2HD1      ILE   3   4.528  18.236   8.149
   40   3HD1  ILE   3          3HD1      ILE   3   5.698  16.962   7.792
   41    H    ASP   4           H        ASP   4   7.469  16.093   3.463
   42    HA   ASP   4           HA       ASP   4   5.358  15.779   1.583
   43   1HB   ASP   4          1HB       ASP   4   7.499  14.574   1.546
   44   2HB   ASP   4          2HB       ASP   4   7.043  13.690   3.011
   45    HA   PRO   5           HA       PRO   5   2.199  14.549   4.726
   46   1HB   PRO   5          1HB       PRO   5   0.116  13.939   3.097
   47   2HB   PRO   5          2HB       PRO   5   0.649  15.598   3.463
   48   1HG   PRO   5          1HG       PRO   5   1.481  13.924   1.073
   49   2HG   PRO   5          2HG       PRO   5   0.728  15.547   1.074
   50   1HD   PRO   5          1HD       PRO   5   3.398  15.331   0.918
   51   2HD   PRO   5          2HD       PRO   5   2.726  16.533   2.030
   52    H    THR   6           H        THR   6   4.219  12.728   4.544
   53    HA   THR   6           HA       THR   6   2.937  10.091   4.200
   54    HB   THR   6           HB       THR   6   5.537  10.919   2.854
   55    HG1  THR   6          1HG       THR   6   4.116  11.785   1.525
   56   1HG2  THR   6          3HG2      THR   6   3.925   8.357   2.505
   57   2HG2  THR   6          1HG2      THR   6   5.285   8.882   1.506
   58   3HG2  THR   6          2HG2      THR   6   5.543   8.480   3.198
   59    H    LYS   7           H        LYS   7   3.774  11.729   6.598
   60    HA   LYS   7           HA       LYS   7   6.321  10.934   7.482
   61   1HB   LYS   7          1HB       LYS   7   3.946  12.201   8.689
   62   2HB   LYS   7          2HB       LYS   7   4.647  11.049   9.792
   63   1HG   LYS   7          1HG       LYS   7   5.636  13.083  10.300
   64   2HG   LYS   7          2HG       LYS   7   6.873  12.083   9.530
   65   1HD   LYS   7          1HD       LYS   7   6.542  13.315   7.386
   66   2HD   LYS   7          2HD       LYS   7   5.290  14.305   8.143
   67   1HE   LYS   7          1HE       LYS   7   8.235  14.246   8.966
   68   2HE   LYS   7          2HE       LYS   7   7.451  15.485   7.994
   69   1HZ   LYS   7          3HZ       LYS   7   5.934  15.836   9.984
   70   2HZ   LYS   7          1HZ       LYS   7   6.993  14.922  10.847
   71   3HZ   LYS   7          2HZ       LYS   7   7.492  16.306  10.191
   72    H    LYS   8           H        LYS   8   3.239   9.226   7.808
   73    HA   LYS   8           HA       LYS   8   4.581   6.979   9.270
   74   1HB   LYS   8          1HB       LYS   8   2.348   6.416  10.057
   75   2HB   LYS   8          2HB       LYS   8   2.910   8.020  10.521
   76   1HG   LYS   8          1HG       LYS   8   1.416   8.917   8.541
   77   2HG   LYS   8          2HG       LYS   8   0.743   7.286   8.524
   78   1HD   LYS   8          1HD       LYS   8  -0.702   8.495   9.929
   79   2HD   LYS   8          2HD       LYS   8   0.331   7.586  11.040
   80   1HE   LYS   8          1HE       LYS   8   1.789   9.903  10.897
   81   2HE   LYS   8          2HE       LYS   8   0.216  10.563  10.443
   82   1HZ   LYS   8          1HZ       LYS   8  -0.631   9.619  12.534
   83   2HZ   LYS   8          2HZ       LYS   8   0.908   9.104  12.899
   84   3HZ   LYS   8          3HZ       LYS   8   0.599  10.717  12.773
   85    H    GLY   9           H        GLY   9   5.489   6.623   6.977
   86   1HA   GLY   9          1HA       GLY   9   5.406   5.653   4.878
   87   2HA   GLY   9          2HA       GLY   9   4.629   4.370   5.817
   88    H    ARG  10           H        ARG  10   3.483   7.579   5.121
   89    HA   ARG  10           HA       ARG  10   1.453   8.375   4.813
   90   1HB   ARG  10          1HB       ARG  10   0.166   7.737   2.784
   91   2HB   ARG  10          2HB       ARG  10   1.754   8.462   2.578
   92   1HG   ARG  10          1HG       ARG  10   2.625   6.141   2.018
   93   2HG   ARG  10          2HG       ARG  10   0.960   5.537   2.150
   94   1HD   ARG  10          1HD       ARG  10   1.292   5.922  -0.130
   95   2HD   ARG  10          2HD       ARG  10   0.295   7.277   0.386
   96    HE   ARG  10           HE       ARG  10   3.132   7.224  -0.475
   97   1HH1  ARG  10          2HH2      ARG  10   0.573   9.366   0.906
   98   2HH1  ARG  10          1HH2      ARG  10   1.530  10.768   0.542
   99   1HH2  ARG  10          2HH1      ARG  10   4.013   9.071  -1.292
  100   2HH2  ARG  10          1HH1      ARG  10   3.224  10.605  -1.061
  101    H    ARG  11           H        ARG  11   0.793   4.941   3.992
  102    HA   ARG  11           HA       ARG  11  -1.695   5.184   5.247
  103   1HB   ARG  11          1HB       ARG  11  -0.619   3.616   3.271
  104   2HB   ARG  11          2HB       ARG  11  -0.843   2.447   4.560
  105   1HG   ARG  11          1HG       ARG  11  -3.289   3.129   4.617
  106   2HG   ARG  11          2HG       ARG  11  -2.954   4.247   3.269
  107   1HD   ARG  11          1HD       ARG  11  -1.875   2.198   2.091
  108   2HD   ARG  11          2HD       ARG  11  -2.637   1.217   3.306
  109    HE   ARG  11           HE       ARG  11  -4.779   1.611   2.357
  110   1HH1  ARG  11          2HH2      ARG  11  -2.282   3.389   0.454
  111   2HH1  ARG  11          1HH2      ARG  11  -3.331   3.382  -0.948
  112   1HH2  ARG  11          2HH1      ARG  11  -5.853   1.398   0.447
  113   2HH2  ARG  11          1HH1      ARG  11  -5.246   2.183  -1.005
  114    H    ASN  12           H        ASN  12  -2.186   4.266   7.102
  115    HA   ASN  12           HA       ASN  12  -0.387   2.460   8.659
  116   1HB   ASN  12          1HB       ASN  12   0.171   4.756   9.393
  117   2HB   ASN  12          2HB       ASN  12  -1.532   5.051   9.775
  118   1HD2  ASN  12          2HD2      ASN  12  -1.350   3.351  12.914
  119   2HD2  ASN  12          1HD2      ASN  12  -2.368   4.216  11.782
  120    H    ARG  13           H        ARG  13  -3.575   3.907   8.071
  121    HA   ARG  13           HA       ARG  13  -5.029   2.485  10.057
  122   1HB   ARG  13          1HB       ARG  13  -6.978   2.996   8.663
  123   2HB   ARG  13          2HB       ARG  13  -5.903   4.389   8.831
  124   1HG   ARG  13          1HG       ARG  13  -4.961   3.624   6.487
  125   2HG   ARG  13          2HG       ARG  13  -6.437   2.656   6.392
  126   1HD   ARG  13          1HD       ARG  13  -6.346   5.666   6.919
  127   2HD   ARG  13          2HD       ARG  13  -6.562   4.945   5.344
  128    HE   ARG  13           HE       ARG  13  -8.455   4.969   7.655
  129   1HH1  ARG  13          2HH2      ARG  13  -8.050   4.536   4.128
  130   2HH1  ARG  13          1HH2      ARG  13  -9.593   3.795   3.933
  131   1HH2  ARG  13          2HH1      ARG  13 -10.598   4.127   7.314
  132   2HH2  ARG  13          1HH1      ARG  13 -11.155   4.034   5.657
  133    H    PHE  14           H        PHE  14  -4.132   1.651   6.777
  134    HA   PHE  14           HA       PHE  14  -5.597  -0.860   6.687
  135   1HB   PHE  14          1HB       PHE  14  -4.946   0.493   4.683
  136   2HB   PHE  14          2HB       PHE  14  -3.251   0.130   5.063
  137    HD1  PHE  14          2HD       PHE  14  -6.533  -1.533   4.170
  138    HD2  PHE  14          1HD       PHE  14  -2.302  -2.100   4.688
  139    HE1  PHE  14          2HE       PHE  14  -6.638  -3.582   2.801
  140    HE2  PHE  14          1HE       PHE  14  -2.477  -4.227   3.447
  141    HZ   PHE  14           HZ       PHE  14  -4.555  -4.831   2.259
  142    H    LYS  15           H        LYS  15  -4.676  -2.977   6.808
  143    HA   LYS  15           HA       LYS  15  -1.959  -3.441   7.687
  144   1HB   LYS  15          1HB       LYS  15  -2.761  -4.456   9.863
  145   2HB   LYS  15          2HB       LYS  15  -2.772  -2.693   9.781
  146   1HG   LYS  15          1HG       LYS  15  -5.291  -2.805   9.241
  147   2HG   LYS  15          2HG       LYS  15  -5.217  -4.508   9.669
  148   1HD   LYS  15          1HD       LYS  15  -4.389  -2.145  11.446
  149   2HD   LYS  15          2HD       LYS  15  -5.949  -2.950  11.481
  150   1HE   LYS  15          1HE       LYS  15  -4.046  -5.064  11.715
  151   2HE   LYS  15          2HE       LYS  15  -3.412  -3.768  12.731
  152   1HZ   LYS  15          1HZ       LYS  15  -6.151  -4.830  12.841
  153   2HZ   LYS  15          2HZ       LYS  15  -4.973  -5.343  13.835
  154   3HZ   LYS  15          3HZ       LYS  15  -5.471  -3.772  13.928
  155    H    TRP  16           H        TRP  16  -1.515  -5.263   6.514
  156    HA   TRP  16           HA       TRP  16  -3.592  -6.916   5.347
  157   1HB   TRP  16          1HB       TRP  16  -0.598  -7.243   5.772
  158   2HB   TRP  16          2HB       TRP  16  -1.581  -8.492   5.052
  159    HD1  TRP  16           HD       TRP  16   0.100  -5.235   4.209
  160    HE1  TRP  16          1HE       TRP  16   0.032  -4.842   1.705
  161    HE3  TRP  16          3HE       TRP  16  -3.102  -9.027   2.830
  162    HZ2  TRP  16          2HZ       TRP  16  -1.391  -5.868  -0.559
  163    HZ3  TRP  16          3HZ       TRP  16  -3.180  -9.640   0.431
  164    HH2  TRP  16           HH       TRP  16  -2.602  -7.933  -1.261
  165    H    GLY  17           H        GLY  17  -4.490  -8.821   6.166
  166   1HA   GLY  17          1HA       GLY  17  -4.592  -9.266   8.963
  167   2HA   GLY  17          2HA       GLY  17  -5.156 -10.367   7.698
  168    HA   PRO  18           HA       PRO  18  -1.312 -12.098   9.691
  169   1HB   PRO  18          1HB       PRO  18  -2.331 -14.215  11.125
  170   2HB   PRO  18          2HB       PRO  18  -2.295 -12.550  11.771
  171   1HG   PRO  18          1HG       PRO  18  -4.637 -14.017  10.556
  172   2HG   PRO  18          2HG       PRO  18  -4.606 -12.958  11.989
  173   1HD   PRO  18          1HD       PRO  18  -5.383 -12.132   9.435
  174   2HD   PRO  18          2HD       PRO  18  -4.744 -11.030  10.681
  175    H    ALA  19           H        ALA  19  -4.097 -13.837   8.520
  176    HA   ALA  19           HA       ALA  19  -2.715 -16.034   7.243
  177   1HB   ALA  19          3HB       ALA  19  -5.467 -14.831   6.678
  178   2HB   ALA  19          1HB       ALA  19  -4.829 -16.328   5.972
  179   3HB   ALA  19          2HB       ALA  19  -5.097 -16.215   7.722
  180    H    SER  20           H        SER  20  -4.284 -13.107   5.806
  181    HA   SER  20           HA       SER  20  -3.108 -12.719   3.445
  182   1HB   SER  20          1HB       SER  20  -3.319 -10.919   5.831
  183   2HB   SER  20          2HB       SER  20  -2.573 -10.313   4.366
  184    HG   SER  20           HG       SER  20  -5.185 -11.401   4.696
  185    H    GLN  21           H        GLN  21  -1.266 -11.829   6.491
  186    HA   GLN  21           HA       GLN  21   1.059 -11.094   5.060
  187   1HB   GLN  21          1HB       GLN  21   0.523 -11.861   7.937
  188   2HB   GLN  21          2HB       GLN  21   2.180 -11.588   7.373
  189   1HG   GLN  21          1HG       GLN  21   1.733  -9.383   6.665
  190   2HG   GLN  21          2HG       GLN  21  -0.003  -9.547   6.832
  191   1HE2  GLN  21          2HE2      GLN  21  -0.046  -8.979  10.356
  192   2HE2  GLN  21          1HE2      GLN  21  -0.893  -9.611   8.950
  193    H    GLN  22           H        GLN  22   0.187 -14.268   6.486
  194    HA   GLN  22           HA       GLN  22   2.598 -15.631   5.766
  195   1HB   GLN  22          1HB       GLN  22   1.224 -16.894   7.119
  196   2HB   GLN  22          2HB       GLN  22  -0.253 -16.471   6.270
  197   1HG   GLN  22          1HG       GLN  22   0.324 -18.824   5.961
  198   2HG   GLN  22          2HG       GLN  22   0.248 -17.959   4.431
  199   1HE2  GLN  22          2HE2      GLN  22   3.300 -19.631   3.715
  200   2HE2  GLN  22          1HE2      GLN  22   1.597 -19.455   3.316
  201    H    ILE  23           H        ILE  23  -0.472 -15.298   3.928
  202    HA   ILE  23           HA       ILE  23   0.401 -16.499   1.588
  203    HB   ILE  23           HB       ILE  23  -1.729 -14.494   2.263
  204   1HG1  ILE  23          1HG1      ILE  23  -2.251 -17.094   0.935
  205   2HG1  ILE  23          2HG1      ILE  23  -1.515 -17.239   2.539
  206   1HG2  ILE  23          3HG2      ILE  23  -1.191 -15.528  -0.548
  207   2HG2  ILE  23          1HG2      ILE  23  -2.696 -14.757  -0.006
  208   3HG2  ILE  23          2HG2      ILE  23  -1.205 -13.829  -0.013
  209   1HD1  ILE  23          2HD1      ILE  23  -3.953 -15.536   2.040
  210   2HD1  ILE  23          3HD1      ILE  23  -4.003 -17.271   2.488
  211   3HD1  ILE  23          1HD1      ILE  23  -3.259 -16.089   3.584
  212    H    LEU  24           H        LEU  24   0.706 -13.080   2.435
  213    HA   LEU  24           HA       LEU  24   1.748 -12.183  -0.047
  214   1HB   LEU  24          1HB       LEU  24   2.296 -11.297   2.851
  215   2HB   LEU  24          2HB       LEU  24   2.900 -10.476   1.427
  216    HG   LEU  24           HG       LEU  24   0.015 -10.669   2.273
  217   1HD1  LEU  24          3HD1      LEU  24   2.131  -8.778   2.688
  218   2HD1  LEU  24          1HD1      LEU  24   0.956  -8.050   1.581
  219   3HD1  LEU  24          2HD1      LEU  24   0.446  -8.693   3.161
  220   1HD2  LEU  24          2HD2      LEU  24   1.204 -10.018  -0.407
  221   2HD2  LEU  24          3HD2      LEU  24  -0.198 -11.033  -0.003
  222   3HD2  LEU  24          1HD2      LEU  24  -0.306  -9.276   0.107
  223    H    PHE  25           H        PHE  25   3.396 -13.604   2.786
  224    HA   PHE  25           HA       PHE  25   5.996 -13.475   1.468
  225   1HB   PHE  25          1HB       PHE  25   4.994 -14.862   3.954
  226   2HB   PHE  25          2HB       PHE  25   6.588 -15.148   3.280
  227    HD1  PHE  25          2HD       PHE  25   4.519 -11.994   3.912
  228    HD2  PHE  25          1HD       PHE  25   8.217 -14.117   4.596
  229    HE1  PHE  25          2HE       PHE  25   5.175 -10.310   5.557
  230    HE2  PHE  25          1HE       PHE  25   8.896 -12.384   6.209
  231    HZ   PHE  25           HZ       PHE  25   7.331 -10.535   6.790
  232    H    GLN  26           H        GLN  26   3.329 -15.864   1.637
  233    HA   GLN  26           HA       GLN  26   4.875 -18.049   0.688
  234   1HB   GLN  26          1HB       GLN  26   2.990 -19.296   0.948
  235   2HB   GLN  26          2HB       GLN  26   2.442 -17.839   1.750
  236   1HG   GLN  26          1HG       GLN  26   1.277 -17.195  -0.394
  237   2HG   GLN  26          2HG       GLN  26   1.738 -18.783  -0.992
  238   1HE2  GLN  26          2HE2      GLN  26  -1.690 -19.258   0.385
  239   2HE2  GLN  26          1HE2      GLN  26  -0.892 -18.643  -1.031
  240    H    ALA  27           H        ALA  27   3.456 -15.325  -1.012
  241    HA   ALA  27           HA       ALA  27   4.232 -16.446  -3.656
  242   1HB   ALA  27          2HB       ALA  27   2.940 -13.840  -2.709
  243   2HB   ALA  27          3HB       ALA  27   3.381 -14.185  -4.389
  244   3HB   ALA  27          1HB       ALA  27   2.179 -15.207  -3.576
  245    H    TYR  28           H        TYR  28   5.217 -13.795  -1.395
  246    HA   TYR  28           HA       TYR  28   7.218 -12.756  -3.082
  247   1HB   TYR  28          1HB       TYR  28   6.358 -11.912  -0.746
  248   2HB   TYR  28          2HB       TYR  28   7.687 -12.861  -0.102
  249    HD1  TYR  28          2HD       TYR  28   6.754 -10.056  -2.374
  250    HD2  TYR  28          1HD       TYR  28  10.021 -12.066  -0.408
  251    HE1  TYR  28          2HE       TYR  28   8.332  -8.354  -3.238
  252    HE2  TYR  28          1HE       TYR  28  11.562 -10.265  -1.146
  253    HH   TYR  28           HH       TYR  28  11.830  -8.477  -2.712
  254    H    GLU  29           H        GLU  29   7.212 -15.734  -1.313
  255    HA   GLU  29           HA       GLU  29   9.962 -16.411  -1.247
  256   1HB   GLU  29          1HB       GLU  29   8.045 -17.731  -0.279
  257   2HB   GLU  29          2HB       GLU  29   7.480 -18.088  -1.912
  258   1HG   GLU  29          1HG       GLU  29   9.721 -19.213  -2.327
  259   2HG   GLU  29          2HG       GLU  29  10.057 -19.005  -0.596
  260    H    ARG  30           H        ARG  30   7.480 -16.736  -3.835
  261    HA   ARG  30           HA       ARG  30   9.569 -17.933  -5.530
  262   1HB   ARG  30          1HB       ARG  30   7.847 -19.186  -6.578
  263   2HB   ARG  30          2HB       ARG  30   7.766 -19.313  -4.814
  264   1HG   ARG  30          1HG       ARG  30   5.848 -17.543  -5.001
  265   2HG   ARG  30          2HG       ARG  30   5.831 -17.993  -6.712
  266   1HD   ARG  30          1HD       ARG  30   4.222 -19.326  -5.766
  267   2HD   ARG  30          2HD       ARG  30   5.569 -20.439  -5.945
  268    HE   ARG  30           HE       ARG  30   4.516 -19.119  -3.454
  269   1HH1  ARG  30          2HH2      ARG  30   6.908 -21.437  -4.693
  270   2HH1  ARG  30          1HH2      ARG  30   7.457 -21.771  -3.071
  271   1HH2  ARG  30          2HH1      ARG  30   5.052 -19.833  -1.504
  272   2HH2  ARG  30          1HH1      ARG  30   6.322 -20.957  -1.224
  273    H    GLN  31           H        GLN  31   6.515 -16.059  -6.327
  274    HA   GLN  31           HA       GLN  31   7.999 -15.265  -8.785
  275   1HB   GLN  31          1HB       GLN  31   5.521 -16.325  -8.459
  276   2HB   GLN  31          2HB       GLN  31   5.141 -14.594  -8.685
  277   1HG   GLN  31          1HG       GLN  31   6.499 -14.636 -10.761
  278   2HG   GLN  31          2HG       GLN  31   6.848 -16.354 -10.489
  279   1HE2  GLN  31          2HE2      GLN  31   3.033 -16.840 -10.982
  280   2HE2  GLN  31          1HE2      GLN  31   3.803 -16.616  -9.442
  281    H    LYS  32           H        LYS  32   9.279 -14.057  -7.375
  282    HA   LYS  32           HA       LYS  32   8.303 -12.287  -5.554
  283   1HB   LYS  32          1HB       LYS  32  10.603 -13.477  -5.906
  284   2HB   LYS  32          2HB       LYS  32  11.107 -11.971  -6.686
  285   1HG   LYS  32          1HG       LYS  32  10.835 -10.757  -4.602
  286   2HG   LYS  32          2HG       LYS  32   9.774 -11.990  -3.955
  287   1HD   LYS  32          1HD       LYS  32  11.882 -12.240  -2.828
  288   2HD   LYS  32          2HD       LYS  32  11.559 -13.658  -3.808
  289   1HE   LYS  32          1HE       LYS  32  13.933 -12.834  -3.870
  290   2HE   LYS  32          2HE       LYS  32  13.187 -13.049  -5.461
  291   1HZ   LYS  32          1HZ       LYS  32  13.241 -10.436  -4.077
  292   2HZ   LYS  32          2HZ       LYS  32  14.434 -10.824  -5.020
  293   3HZ   LYS  32          3HZ       LYS  32  12.923 -10.707  -5.650
  294    H    ASN  33           H        ASN  33   7.804 -11.577  -8.656
  295    HA   ASN  33           HA       ASN  33   7.312  -8.850  -7.871
  296   1HB   ASN  33          1HB       ASN  33   8.937  -9.537 -10.331
  297   2HB   ASN  33          2HB       ASN  33   7.687  -8.295 -10.478
  298   1HD2  ASN  33          2HD2      ASN  33  10.830  -7.578  -7.904
  299   2HD2  ASN  33          1HD2      ASN  33  10.418  -9.211  -8.363
  300    HA   PRO  34           HA       PRO  34   3.378 -10.205  -9.051
  301   1HB   PRO  34          1HB       PRO  34   2.106  -7.795  -9.652
  302   2HB   PRO  34          2HB       PRO  34   2.536  -8.346  -8.011
  303   1HG   PRO  34          1HG       PRO  34   4.042  -6.483  -9.852
  304   2HG   PRO  34          2HG       PRO  34   3.647  -6.233  -8.121
  305   1HD   PRO  34          1HD       PRO  34   6.079  -7.152  -8.868
  306   2HD   PRO  34          2HD       PRO  34   5.260  -7.890  -7.455
  307    H    SER  35           H        SER  35   3.638 -11.473 -10.952
  308    HA   SER  35           HA       SER  35   3.799 -10.214 -13.586
  309   1HB   SER  35          1HB       SER  35   3.739 -12.662 -14.259
  310   2HB   SER  35          2HB       SER  35   5.049 -12.234 -13.141
  311    HG   SER  35           HG       SER  35   3.949 -14.099 -12.411
  312    H    LYS  36           H        LYS  36   1.726 -12.928 -12.963
  313    HA   LYS  36           HA       LYS  36  -0.755 -11.356 -13.461
  314   1HB   LYS  36          1HB       LYS  36   0.057 -12.636 -15.527
  315   2HB   LYS  36          2HB       LYS  36  -0.277 -14.121 -14.672
  316   1HG   LYS  36          1HG       LYS  36  -2.239 -11.949 -15.556
  317   2HG   LYS  36          2HG       LYS  36  -2.015 -13.556 -16.220
  318   1HD   LYS  36          1HD       LYS  36  -3.927 -13.943 -15.108
  319   2HD   LYS  36          2HD       LYS  36  -2.827 -14.407 -13.828
  320   1HE   LYS  36          1HE       LYS  36  -3.114 -11.977 -12.928
  321   2HE   LYS  36          2HE       LYS  36  -4.270 -11.714 -14.221
  322   1HZ   LYS  36          1HZ       LYS  36  -4.631 -13.665 -12.002
  323   2HZ   LYS  36          2HZ       LYS  36  -5.260 -12.142 -12.160
  324   3HZ   LYS  36          3HZ       LYS  36  -5.697 -13.361 -13.159
  325    H    GLU  37           H        GLU  37  -0.501 -14.906 -12.864
  326    HA   GLU  37           HA       GLU  37  -2.738 -14.383 -11.417
  327   1HB   GLU  37          1HB       GLU  37  -1.389 -16.726 -12.408
  328   2HB   GLU  37          2HB       GLU  37  -1.592 -16.956 -10.689
  329   1HG   GLU  37          1HG       GLU  37  -3.721 -16.543 -12.814
  330   2HG   GLU  37          2HG       GLU  37  -3.568 -17.865 -11.646
  331    H    GLU  38           H        GLU  38   0.474 -15.095 -10.266
  332    HA   GLU  38           HA       GLU  38   0.461 -15.457  -7.665
  333   1HB   GLU  38          1HB       GLU  38   2.432 -14.708  -9.226
  334   2HB   GLU  38          2HB       GLU  38   2.037 -13.071  -8.743
  335   1HG   GLU  38          1HG       GLU  38   3.620 -13.565  -7.153
  336   2HG   GLU  38          2HG       GLU  38   2.179 -14.089  -6.281
  337    H    ARG  39           H        ARG  39  -0.060 -12.224  -9.029
  338    HA   ARG  39           HA       ARG  39  -0.491 -10.801  -6.628
  339   1HB   ARG  39          1HB       ARG  39  -1.721 -10.586  -9.433
  340   2HB   ARG  39          2HB       ARG  39  -1.932  -9.288  -8.265
  341   1HG   ARG  39          1HG       ARG  39   0.122  -8.425  -8.676
  342   2HG   ARG  39          2HG       ARG  39   0.872 -10.003  -9.027
  343   1HD   ARG  39          1HD       ARG  39   0.518  -8.419 -11.075
  344   2HD   ARG  39          2HD       ARG  39   0.024 -10.105 -11.193
  345    HE   ARG  39           HE       ARG  39  -2.336  -8.918 -10.417
  346   1HH1  ARG  39          2HH2      ARG  39  -0.143  -8.812 -13.178
  347   2HH1  ARG  39          1HH2      ARG  39  -1.344  -8.191 -14.265
  348   1HH2  ARG  39          2HH1      ARG  39  -3.882  -8.442 -11.786
  349   2HH2  ARG  39          1HH1      ARG  39  -3.657  -8.054 -13.456
  350    H    GLU  40           H        GLU  40  -2.802 -12.196  -8.888
  351    HA   GLU  40           HA       GLU  40  -5.047 -10.906  -7.640
  352   1HB   GLU  40          1HB       GLU  40  -4.393 -12.444  -9.996
  353   2HB   GLU  40          2HB       GLU  40  -5.919 -12.981  -9.309
  354   1HG   GLU  40          1HG       GLU  40  -6.746 -11.302 -10.630
  355   2HG   GLU  40          2HG       GLU  40  -6.413 -10.312  -9.212
  356    H    THR  41           H        THR  41  -3.507 -14.049  -7.693
  357    HA   THR  41           HA       THR  41  -5.140 -15.678  -6.179
  358    HB   THR  41           HB       THR  41  -2.350 -15.535  -7.144
  359    HG1  THR  41          1HG       THR  41  -3.837 -16.900  -8.000
  360   1HG2  THR  41          2HG2      THR  41  -2.644 -16.913  -4.500
  361   2HG2  THR  41          3HG2      THR  41  -1.312 -17.099  -5.681
  362   3HG2  THR  41          1HG2      THR  41  -1.578 -15.547  -4.913
  363    H    LEU  42           H        LEU  42  -2.551 -13.269  -4.973
  364    HA   LEU  42           HA       LEU  42  -3.119 -13.828  -2.319
  365   1HB   LEU  42          1HB       LEU  42  -2.516 -11.011  -2.978
  366   2HB   LEU  42          2HB       LEU  42  -1.951 -12.105  -1.724
  367    HG   LEU  42           HG       LEU  42  -0.973 -12.259  -4.564
  368   1HD1  LEU  42          2HD1      LEU  42   0.035 -10.668  -2.231
  369   2HD1  LEU  42          3HD1      LEU  42   1.135 -11.300  -3.455
  370   3HD1  LEU  42          1HD1      LEU  42  -0.172 -10.187  -3.919
  371   1HD2  LEU  42          2HD2      LEU  42  -0.816 -14.259  -2.913
  372   2HD2  LEU  42          3HD2      LEU  42   0.722 -13.613  -3.523
  373   3HD2  LEU  42          1HD2      LEU  42   0.166 -13.199  -1.884
  374    H    VAL  43           H        VAL  43  -4.898 -11.685  -4.546
  375    HA   VAL  43           HA       VAL  43  -6.420 -10.532  -2.376
  376    HB   VAL  43           HB       VAL  43  -7.419 -10.762  -5.249
  377   1HG1  VAL  43          2HG1      VAL  43  -7.875  -8.905  -2.860
  378   2HG1  VAL  43          3HG1      VAL  43  -8.630  -8.671  -4.449
  379   3HG1  VAL  43          1HG1      VAL  43  -9.030 -10.100  -3.465
  380   1HG2  VAL  43          3HG2      VAL  43  -5.666  -8.562  -4.067
  381   2HG2  VAL  43          1HG2      VAL  43  -5.236  -9.652  -5.411
  382   3HG2  VAL  43          2HG2      VAL  43  -6.529  -8.475  -5.603
  383    H    GLU  44           H        GLU  44  -6.791 -13.337  -4.548
  384    HA   GLU  44           HA       GLU  44  -9.316 -14.179  -3.686
  385   1HB   GLU  44          1HB       GLU  44  -7.458 -15.042  -5.559
  386   2HB   GLU  44          2HB       GLU  44  -7.338 -16.337  -4.371
  387   1HG   GLU  44          1HG       GLU  44  -9.720 -15.405  -5.942
  388   2HG   GLU  44          2HG       GLU  44  -8.932 -16.990  -5.953
  389    H    GLU  45           H        GLU  45  -6.195 -15.570  -2.760
  390    HA   GLU  45           HA       GLU  45  -6.906 -17.338  -0.788
  391   1HB   GLU  45          1HB       GLU  45  -4.513 -16.039  -1.754
  392   2HB   GLU  45          2HB       GLU  45  -4.423 -16.263  -0.019
  393   1HG   GLU  45          1HG       GLU  45  -5.007 -18.513  -1.944
  394   2HG   GLU  45          2HG       GLU  45  -3.395 -18.053  -1.415
  395    H    CYS  46           H        CYS  46  -6.060 -13.838  -0.504
  396    HA   CYS  46           HA       CYS  46  -6.363 -13.617   2.317
  397   1HB   CYS  46          1HB       CYS  46  -5.362 -11.733   0.961
  398   2HB   CYS  46          2HB       CYS  46  -6.918 -11.482   0.181
  399    HG   CYS  46           HG       CYS  46  -5.827 -10.400   2.800
  400    H    ASN  47           H        ASN  47  -8.598 -12.874  -0.370
  401    HA   ASN  47           HA       ASN  47 -10.825 -11.891   1.004
  402   1HB   ASN  47          1HB       ASN  47 -10.446 -13.321  -1.646
  403   2HB   ASN  47          2HB       ASN  47 -12.054 -13.139  -1.029
  404   1HD2  ASN  47          2HD2      ASN  47 -11.543 -10.364  -3.343
  405   2HD2  ASN  47          1HD2      ASN  47 -11.491 -12.121  -3.402
  406    H    ARG  48           H        ARG  48 -10.262 -15.138  -0.174
  407    HA   ARG  48           HA       ARG  48 -12.390 -16.633   0.760
  408   1HB   ARG  48          1HB       ARG  48 -10.691 -17.223  -0.901
  409   2HB   ARG  48          2HB       ARG  48  -9.419 -17.145   0.313
  410   1HG   ARG  48          1HG       ARG  48 -10.645 -19.147   1.441
  411   2HG   ARG  48          2HG       ARG  48 -11.463 -19.308  -0.128
  412   1HD   ARG  48          1HD       ARG  48  -8.451 -19.300   0.445
  413   2HD   ARG  48          2HD       ARG  48  -9.409 -20.680  -0.119
  414    HE   ARG  48           HE       ARG  48  -9.679 -18.614  -2.087
  415   1HH1  ARG  48          2HH2      ARG  48  -6.791 -20.087  -0.672
  416   2HH1  ARG  48          1HH2      ARG  48  -6.129 -20.565  -2.168
  417   1HH2  ARG  48          2HH1      ARG  48  -8.606 -18.723  -3.939
  418   2HH2  ARG  48          1HH1      ARG  48  -7.050 -19.504  -4.148
  419    H    ALA  49           H        ALA  49  -9.138 -16.273   2.223
  420    HA   ALA  49           HA       ALA  49  -9.790 -17.768   4.557
  421   1HB   ALA  49          3HB       ALA  49  -7.477 -17.399   3.810
  422   2HB   ALA  49          1HB       ALA  49  -7.608 -15.669   4.206
  423   3HB   ALA  49          2HB       ALA  49  -7.697 -16.889   5.499
  424    H    GLU  50           H        GLU  50  -9.990 -14.247   3.923
  425    HA   GLU  50           HA       GLU  50 -10.422 -13.732   6.761
  426   1HB   GLU  50          1HB       GLU  50  -9.088 -12.303   5.115
  427   2HB   GLU  50          2HB       GLU  50 -10.633 -11.681   4.580
  428   1HG   GLU  50          1HG       GLU  50 -10.678 -10.275   6.391
  429   2HG   GLU  50          2HG       GLU  50 -10.477 -11.620   7.525
  430    H    CYS  51           H        CYS  51 -12.343 -14.242   3.877
  431    HA   CYS  51           HA       CYS  51 -14.845 -13.404   4.840
  432   1HB   CYS  51          1HB       CYS  51 -15.558 -14.071   2.879
  433   2HB   CYS  51          2HB       CYS  51 -13.985 -14.780   2.577
  434    HG   CYS  51           HG       CYS  51 -16.621 -16.124   4.048
  435    H    ILE  52           H        ILE  52 -13.017 -16.450   5.267
  436    HA   ILE  52           HA       ILE  52 -15.063 -17.762   6.823
  437    HB   ILE  52           HB       ILE  52 -12.068 -18.161   6.386
  438   1HG1  ILE  52          1HG1      ILE  52 -14.470 -19.838   5.548
  439   2HG1  ILE  52          2HG1      ILE  52 -13.706 -18.614   4.530
  440   1HG2  ILE  52          2HG2      ILE  52 -12.521 -18.976   8.654
  441   2HG2  ILE  52          3HG2      ILE  52 -13.863 -19.969   8.033
  442   3HG2  ILE  52          1HG2      ILE  52 -12.182 -20.298   7.554
  443   1HD1  ILE  52          1HD1      ILE  52 -11.540 -19.857   4.684
  444   2HD1  ILE  52          2HD1      ILE  52 -12.404 -21.176   5.516
  445   3HD1  ILE  52          3HD1      ILE  52 -12.846 -20.733   3.863
  446    H    GLN  53           H        GLN  53 -12.075 -16.014   7.625
  447    HA   GLN  53           HA       GLN  53 -12.208 -16.163  10.432
  448   1HB   GLN  53          1HB       GLN  53 -11.324 -13.827   8.698
  449   2HB   GLN  53          2HB       GLN  53 -11.151 -13.834  10.436
  450   1HG   GLN  53          1HG       GLN  53  -9.709 -15.792  10.413
  451   2HG   GLN  53          2HG       GLN  53  -9.879 -15.968   8.663
  452   1HE2  GLN  53          2HE2      GLN  53  -7.785 -13.186   7.876
  453   2HE2  GLN  53          1HE2      GLN  53  -8.622 -14.615   7.306
  454    H    ARG  54           H        ARG  54 -14.028 -13.938   8.293
  455    HA   ARG  54           HA       ARG  54 -15.272 -12.659  10.712
  456   1HB   ARG  54          1HB       ARG  54 -14.771 -11.673   7.898
  457   2HB   ARG  54          2HB       ARG  54 -15.559 -10.749   9.191
  458   1HG   ARG  54          1HG       ARG  54 -13.551 -10.677  10.511
  459   2HG   ARG  54          2HG       ARG  54 -12.718 -11.876   9.510
  460   1HD   ARG  54          1HD       ARG  54 -11.914  -9.606   8.941
  461   2HD   ARG  54          2HD       ARG  54 -12.681 -10.455   7.609
  462    HE   ARG  54           HE       ARG  54 -14.549  -9.105   7.656
  463   1HH1  ARG  54          2HH2      ARG  54 -12.533  -8.254  10.509
  464   2HH1  ARG  54          1HH2      ARG  54 -13.243  -6.652  10.596
  465   1HH2  ARG  54          2HH1      ARG  54 -15.572  -7.226   8.039
  466   2HH2  ARG  54          1HH1      ARG  54 -15.239  -6.227   9.420
  467    H    GLY  55           H        GLY  55 -16.041 -15.170   8.945
  468   1HA   GLY  55          1HA       GLY  55 -17.802 -16.041   7.861
  469   2HA   GLY  55          2HA       GLY  55 -18.718 -15.368   9.200
  470    H    VAL  56           H        VAL  56 -17.051 -13.955   6.365
  471    HA   VAL  56           HA       VAL  56 -19.494 -12.451   5.576
  472    HB   VAL  56           HB       VAL  56 -16.760 -12.579   4.241
  473   1HG1  VAL  56          1HG1      VAL  56 -19.201 -10.801   3.699
  474   2HG1  VAL  56          2HG1      VAL  56 -17.592 -10.547   3.008
  475   3HG1  VAL  56          3HG1      VAL  56 -18.505 -11.979   2.579
  476   1HG2  VAL  56          2HG2      VAL  56 -18.083 -10.387   5.850
  477   2HG2  VAL  56          3HG2      VAL  56 -16.666 -11.354   6.360
  478   3HG2  VAL  56          1HG2      VAL  56 -16.549 -10.246   4.972
  479    H    SER  57           H        SER  57 -20.557 -13.001   3.699
  480    HA   SER  57           HA       SER  57 -20.952 -15.548   2.702
  481   1HB   SER  57          1HB       SER  57 -21.459 -12.788   2.046
  482   2HB   SER  57          2HB       SER  57 -21.132 -13.690   0.562
  483    HG   SER  57           HG       SER  57 -22.739 -15.193   1.158
  484    HA   PRO  58           HA       PRO  58 -16.810 -15.948   0.622
  485   1HB   PRO  58          1HB       PRO  58 -17.339 -18.064  -1.070
  486   2HB   PRO  58          2HB       PRO  58 -16.938 -18.239   0.660
  487   1HG   PRO  58          1HG       PRO  58 -19.690 -18.241  -0.602
  488   2HG   PRO  58          2HG       PRO  58 -19.038 -19.365   0.621
  489   1HD   PRO  58          1HD       PRO  58 -20.619 -17.284   1.332
  490   2HD   PRO  58          2HD       PRO  58 -19.219 -17.745   2.343
  491    H    SER  59           H        SER  59 -19.919 -16.130  -1.107
  492    HA   SER  59           HA       SER  59 -19.130 -15.063  -3.604
  493   1HB   SER  59          1HB       SER  59 -21.707 -14.480  -3.519
  494   2HB   SER  59          2HB       SER  59 -21.162 -16.164  -3.557
  495    HG   SER  59           HG       SER  59 -22.693 -15.851  -1.884
  496    H    GLN  60           H        GLN  60 -19.048 -13.457  -0.598
  497    HA   GLN  60           HA       GLN  60 -18.957 -10.848  -1.972
  498   1HB   GLN  60          1HB       GLN  60 -20.177 -11.309   0.784
  499   2HB   GLN  60          2HB       GLN  60 -20.033  -9.757  -0.052
  500   1HG   GLN  60          1HG       GLN  60 -21.669 -10.435  -1.728
  501   2HG   GLN  60          2HG       GLN  60 -21.798 -12.052  -1.013
  502   1HE2  GLN  60          2HE2      GLN  60 -24.675 -10.410   0.459
  503   2HE2  GLN  60          1HE2      GLN  60 -24.183 -11.156  -1.052
  504    H    ALA  61           H        ALA  61 -16.959 -12.908  -1.188
  505    HA   ALA  61           HA       ALA  61 -15.739 -12.142   1.238
  506   1HB   ALA  61          3HB       ALA  61 -15.072 -14.197   0.083
  507   2HB   ALA  61          1HB       ALA  61 -14.318 -13.218  -1.211
  508   3HB   ALA  61          2HB       ALA  61 -13.705 -13.143   0.459
  509    H    GLN  62           H        GLN  62 -15.743 -10.503  -1.814
  510    HA   GLN  62           HA       GLN  62 -13.624  -8.706  -1.127
  511   1HB   GLN  62          1HB       GLN  62 -14.690  -9.257  -3.467
  512   2HB   GLN  62          2HB       GLN  62 -15.784  -7.946  -3.033
  513   1HG   GLN  62          1HG       GLN  62 -14.011  -7.095  -4.420
  514   2HG   GLN  62          2HG       GLN  62 -13.782  -6.441  -2.806
  515   1HE2  GLN  62          2HE2      GLN  62 -10.484  -7.745  -2.561
  516   2HE2  GLN  62          1HE2      GLN  62 -11.683  -6.631  -1.993
  517    H    GLY  63           H        GLY  63 -15.423  -9.018   1.073
  518   1HA   GLY  63          1HA       GLY  63 -16.965  -6.469   1.322
  519   2HA   GLY  63          2HA       GLY  63 -17.186  -7.944   2.256
  520    H    LEU  64           H        LEU  64 -15.661  -8.553   3.757
  521    HA   LEU  64           HA       LEU  64 -14.429  -8.285   5.621
  522   1HB   LEU  64          1HB       LEU  64 -12.374  -7.218   3.732
  523   2HB   LEU  64          2HB       LEU  64 -12.137  -8.170   5.215
  524    HG   LEU  64           HG       LEU  64 -13.520  -9.208   2.747
  525   1HD1  LEU  64          2HD1      LEU  64 -10.657  -9.486   3.782
  526   2HD1  LEU  64          3HD1      LEU  64 -11.366 -10.540   2.545
  527   3HD1  LEU  64          1HD1      LEU  64 -11.175  -8.815   2.224
  528   1HD2  LEU  64          3HD2      LEU  64 -12.629 -10.638   5.246
  529   2HD2  LEU  64          1HD2      LEU  64 -14.294 -10.390   4.688
  530   3HD2  LEU  64          2HD2      LEU  64 -13.201 -11.407   3.746
  531    H    GLY  65           H        GLY  65 -16.012  -5.867   5.112
  532   1HA   GLY  65          1HA       GLY  65 -15.973  -3.583   5.212
  533   2HA   GLY  65          2HA       GLY  65 -15.738  -3.995   6.917
  534    H    SER  66           H        SER  66 -13.518  -3.822   7.769
  535    HA   SER  66           HA       SER  66 -12.150  -1.513   6.502
  536   1HB   SER  66          1HB       SER  66 -13.194  -1.358   8.787
  537   2HB   SER  66          2HB       SER  66 -11.946  -2.491   9.363
  538    HG   SER  66           HG       SER  66 -10.448  -1.014   9.080
  539    H    ASN  67           H        ASN  67 -11.667  -4.574   6.028
  540    HA   ASN  67           HA       ASN  67  -8.695  -4.637   6.548
  541   1HB   ASN  67          1HB       ASN  67 -10.674  -6.894   6.073
  542   2HB   ASN  67          2HB       ASN  67  -8.956  -7.067   6.334
  543   1HD2  ASN  67          2HD2      ASN  67 -11.493  -5.954   9.441
  544   2HD2  ASN  67          1HD2      ASN  67 -11.992  -5.975   7.752
  545    H    LEU  68           H        LEU  68 -11.289  -4.926   4.257
  546    HA   LEU  68           HA       LEU  68 -10.696  -6.499   2.412
  547   1HB   LEU  68          1HB       LEU  68 -12.524  -4.918   2.391
  548   2HB   LEU  68          2HB       LEU  68 -11.460  -3.637   1.779
  549    HG   LEU  68           HG       LEU  68 -11.044  -5.140  -0.263
  550   1HD1  LEU  68          2HD1      LEU  68 -13.118  -6.852   1.177
  551   2HD1  LEU  68          3HD1      LEU  68 -12.969  -6.799  -0.573
  552   3HD1  LEU  68          1HD1      LEU  68 -11.610  -7.357   0.396
  553   1HD2  LEU  68          1HD2      LEU  68 -13.856  -4.255   0.395
  554   2HD2  LEU  68          2HD2      LEU  68 -12.563  -3.231  -0.256
  555   3HD2  LEU  68          3HD2      LEU  68 -13.226  -4.544  -1.249
  556    H    VAL  69           H        VAL  69  -9.173  -7.148   1.267
  557    HA   VAL  69           HA       VAL  69  -6.871  -5.473   0.456
  558    HB   VAL  69           HB       VAL  69  -7.429  -8.467   0.237
  559   1HG1  VAL  69          2HG1      VAL  69  -5.939  -7.569  -1.589
  560   2HG1  VAL  69          3HG1      VAL  69  -4.897  -6.888  -0.326
  561   3HG1  VAL  69          1HG1      VAL  69  -5.129  -8.656  -0.471
  562   1HG2  VAL  69          1HG2      VAL  69  -5.718  -6.773   2.126
  563   2HG2  VAL  69          2HG2      VAL  69  -7.068  -7.831   2.562
  564   3HG2  VAL  69          3HG2      VAL  69  -5.550  -8.522   1.960
  565    H    THR  70           H        THR  70  -7.240  -4.348  -1.386
  566    HA   THR  70           HA       THR  70  -8.632  -5.665  -3.666
  567    HB   THR  70           HB       THR  70  -8.776  -3.227  -4.412
  568    HG1  THR  70          1HG       THR  70  -8.763  -1.849  -2.431
  569   1HG2  THR  70          2HG2      THR  70 -10.536  -4.701  -3.135
  570   2HG2  THR  70          3HG2      THR  70 -10.037  -3.794  -1.686
  571   3HG2  THR  70          1HG2      THR  70 -10.775  -2.969  -3.067
  572    H    GLU  71           H        GLU  71  -7.758  -5.047  -5.806
  573    HA   GLU  71           HA       GLU  71  -5.350  -6.034  -6.549
  574   1HB   GLU  71          1HB       GLU  71  -6.810  -3.498  -7.460
  575   2HB   GLU  71          2HB       GLU  71  -5.463  -4.214  -8.354
  576   1HG   GLU  71          1HG       GLU  71  -6.720  -6.030  -9.094
  577   2HG   GLU  71          2HG       GLU  71  -7.929  -5.865  -7.805
  578    H    VAL  72           H        VAL  72  -5.999  -2.625  -5.806
  579    HA   VAL  72           HA       VAL  72  -3.448  -1.567  -6.149
  580    HB   VAL  72           HB       VAL  72  -5.930  -0.832  -4.664
  581   1HG1  VAL  72          1HG1      VAL  72  -3.493   0.949  -4.662
  582   2HG1  VAL  72          2HG1      VAL  72  -5.137   1.420  -4.182
  583   3HG1  VAL  72          3HG1      VAL  72  -4.262   0.220  -3.226
  584   1HG2  VAL  72          3HG2      VAL  72  -5.757  -0.635  -7.164
  585   2HG2  VAL  72          1HG2      VAL  72  -6.127   0.895  -6.338
  586   3HG2  VAL  72          2HG2      VAL  72  -4.487   0.587  -6.916
  587    H    ARG  73           H        ARG  73  -4.771  -3.282  -3.324
  588    HA   ARG  73           HA       ARG  73  -2.604  -2.444  -1.565
  589   1HB   ARG  73          1HB       ARG  73  -4.492  -4.820  -1.304
  590   2HB   ARG  73          2HB       ARG  73  -3.438  -4.160  -0.057
  591   1HG   ARG  73          1HG       ARG  73  -5.846  -2.811  -1.359
  592   2HG   ARG  73          2HG       ARG  73  -5.691  -3.307   0.322
  593   1HD   ARG  73          1HD       ARG  73  -4.248  -1.076  -1.140
  594   2HD   ARG  73          2HD       ARG  73  -5.410  -0.934   0.159
  595    HE   ARG  73           HE       ARG  73  -3.673  -2.275   1.515
  596   1HH1  ARG  73          2HH2      ARG  73  -2.758   0.267  -0.829
  597   2HH1  ARG  73          1HH2      ARG  73  -1.322   0.727   0.033
  598   1HH2  ARG  73          2HH1      ARG  73  -1.640  -1.909   2.423
  599   2HH2  ARG  73          1HH1      ARG  73  -0.582  -0.667   1.834
  600    H    VAL  74           H        VAL  74  -3.308  -5.347  -3.564
  601    HA   VAL  74           HA       VAL  74  -0.904  -6.705  -2.917
  602    HB   VAL  74           HB       VAL  74  -2.662  -6.693  -5.413
  603   1HG1  VAL  74          3HG1      VAL  74  -0.136  -8.258  -4.880
  604   2HG1  VAL  74          1HG1      VAL  74  -1.385  -8.766  -6.038
  605   3HG1  VAL  74          2HG1      VAL  74  -0.504  -7.257  -6.301
  606   1HG2  VAL  74          1HG2      VAL  74  -3.570  -7.726  -3.347
  607   2HG2  VAL  74          2HG2      VAL  74  -3.239  -8.930  -4.604
  608   3HG2  VAL  74          3HG2      VAL  74  -2.115  -8.759  -3.256
  609    H    TYR  75           H        TYR  75  -1.647  -4.398  -5.535
  610    HA   TYR  75           HA       TYR  75   0.851  -4.222  -6.718
  611   1HB   TYR  75          1HB       TYR  75  -1.472  -3.005  -7.249
  612   2HB   TYR  75          2HB       TYR  75  -0.812  -1.738  -6.268
  613    HD1  TYR  75          1HD       TYR  75   1.464  -0.694  -6.884
  614    HD2  TYR  75          2HD       TYR  75  -0.521  -3.507  -9.473
  615    HE1  TYR  75          1HE       TYR  75   2.621   0.290  -8.819
  616    HE2  TYR  75          2HE       TYR  75   0.785  -2.627 -11.398
  617    HH   TYR  75           HH       TYR  75   2.731   0.340 -11.133
  618    H    ASN  76           H        ASN  76  -0.406  -2.163  -4.084
  619    HA   ASN  76           HA       ASN  76   1.927  -0.654  -3.621
  620   1HB   ASN  76          1HB       ASN  76  -0.535  -1.306  -1.993
  621   2HB   ASN  76          2HB       ASN  76   0.823  -0.555  -1.184
  622   1HD2  ASN  76          2HD2      ASN  76  -1.506   1.826  -3.397
  623   2HD2  ASN  76          1HD2      ASN  76  -1.833   0.094  -3.253
  624    H    TRP  77           H        TRP  77   0.930  -3.753  -2.107
  625    HA   TRP  77           HA       TRP  77   3.044  -3.714  -0.156
  626   1HB   TRP  77          1HB       TRP  77   1.877  -5.398   0.661
  627   2HB   TRP  77          2HB       TRP  77   0.818  -5.395  -0.740
  628    HD1  TRP  77           HD       TRP  77   1.226  -7.263  -2.580
  629    HE1  TRP  77          1HE       TRP  77   2.705  -9.313  -2.776
  630    HE3  TRP  77          3HE       TRP  77   3.847  -6.742   1.783
  631    HZ2  TRP  77          2HZ       TRP  77   4.685 -10.620  -1.217
  632    HZ3  TRP  77          3HZ       TRP  77   5.289  -8.593   2.547
  633    HH2  TRP  77           HH       TRP  77   5.772 -10.520   1.037
  634    H    PHE  78           H        PHE  78   2.671  -5.467  -3.285
  635    HA   PHE  78           HA       PHE  78   5.259  -6.615  -3.182
  636   1HB   PHE  78          1HB       PHE  78   3.271  -6.091  -5.398
  637   2HB   PHE  78          2HB       PHE  78   4.928  -6.464  -5.829
  638    HD1  PHE  78          2HD       PHE  78   6.009  -8.531  -4.370
  639    HD2  PHE  78          1HD       PHE  78   1.933  -8.016  -5.676
  640    HE1  PHE  78          2HE       PHE  78   5.657 -10.992  -4.284
  641    HE2  PHE  78          1HE       PHE  78   1.643 -10.492  -5.670
  642    HZ   PHE  78           HZ       PHE  78   3.447 -11.953  -4.796
  643    H    ALA  79           H        ALA  79   4.098  -3.631  -4.754
  644    HA   ALA  79           HA       ALA  79   6.464  -2.697  -5.914
  645   1HB   ALA  79          3HB       ALA  79   4.261  -1.144  -4.488
  646   2HB   ALA  79          1HB       ALA  79   5.525  -0.419  -5.484
  647   3HB   ALA  79          2HB       ALA  79   4.349  -1.523  -6.223
  648    H    ASN  80           H        ASN  80   5.266  -2.164  -2.544
  649    HA   ASN  80           HA       ASN  80   7.512  -0.639  -1.816
  650   1HB   ASN  80          1HB       ASN  80   5.290  -0.779  -0.646
  651   2HB   ASN  80          2HB       ASN  80   5.837  -2.266   0.137
  652   1HD2  ASN  80          2HD2      ASN  80   8.074  -0.482   2.339
  653   2HD2  ASN  80          1HD2      ASN  80   7.385  -2.043   1.866
  654    H    ARG  81           H        ARG  81   6.876  -4.131  -1.240
  655    HA   ARG  81           HA       ARG  81   9.282  -4.735   0.126
  656   1HB   ARG  81          1HB       ARG  81   7.639  -6.420  -1.805
  657   2HB   ARG  81          2HB       ARG  81   8.959  -7.050  -0.808
  658   1HG   ARG  81          1HG       ARG  81   6.680  -5.589   0.520
  659   2HG   ARG  81          2HG       ARG  81   6.428  -7.215  -0.090
  660   1HD   ARG  81          1HD       ARG  81   8.740  -6.552   1.792
  661   2HD   ARG  81          2HD       ARG  81   7.111  -6.942   2.349
  662    HE   ARG  81           HE       ARG  81   8.305  -8.872   0.461
  663   1HH1  ARG  81          2HH2      ARG  81   7.684  -8.117   3.923
  664   2HH1  ARG  81          1HH2      ARG  81   7.735  -9.778   4.382
  665   1HH2  ARG  81          2HH1      ARG  81   8.292 -11.101   1.182
  666   2HH2  ARG  81          1HH1      ARG  81   7.995 -11.460   2.852
  667    H    ARG  82           H        ARG  82   8.585  -5.195  -3.397
  668    HA   ARG  82           HA       ARG  82  11.295  -5.923  -3.926
  669   1HB   ARG  82          1HB       ARG  82  10.744  -5.978  -6.235
  670   2HB   ARG  82          2HB       ARG  82   9.394  -6.624  -5.308
  671   1HG   ARG  82          1HG       ARG  82   8.151  -5.331  -6.638
  672   2HG   ARG  82          2HG       ARG  82   8.564  -4.074  -5.470
  673   1HD   ARG  82          1HD       ARG  82  10.456  -3.351  -6.930
  674   2HD   ARG  82          2HD       ARG  82   9.973  -4.519  -8.142
  675    HE   ARG  82           HE       ARG  82   8.630  -2.029  -7.316
  676   1HH1  ARG  82          2HH2      ARG  82   8.241  -5.026  -9.124
  677   2HH1  ARG  82          1HH2      ARG  82   6.887  -4.502 -10.064
  678   1HH2  ARG  82          2HH1      ARG  82   6.795  -1.267  -8.504
  679   2HH2  ARG  82          1HH1      ARG  82   6.024  -2.324  -9.651
  680    H    LYS  83           H        LYS  83   9.772  -2.767  -3.625
  681    HA   LYS  83           HA       LYS  83  11.986  -1.389  -4.875
  682   1HB   LYS  83          1HB       LYS  83   9.794  -0.282  -4.745
  683   2HB   LYS  83          2HB       LYS  83   9.755  -0.530  -2.997
  684   1HG   LYS  83          1HG       LYS  83  10.214   1.694  -3.217
  685   2HG   LYS  83          2HG       LYS  83  11.779   0.986  -2.813
  686   1HD   LYS  83          1HD       LYS  83  12.243   0.963  -5.372
  687   2HD   LYS  83          2HD       LYS  83  10.812   1.996  -5.519
  688   1HE   LYS  83          1HE       LYS  83  13.416   2.556  -4.021
  689   2HE   LYS  83          2HE       LYS  83  12.758   3.408  -5.418
  690   1HZ   LYS  83          1HZ       LYS  83  10.925   4.155  -3.910
  691   2HZ   LYS  83          2HZ       LYS  83  11.734   3.487  -2.640
  692   3HZ   LYS  83          3HZ       LYS  83  12.433   4.696  -3.509
  693    H    GLU  84           H        GLU  84  11.167  -2.332  -1.531
  694    HA   GLU  84           HA       GLU  84  13.421  -1.147  -0.279
  695   1HB   GLU  84          1HB       GLU  84  11.282  -2.661   0.594
  696   2HB   GLU  84          2HB       GLU  84  12.551  -3.871   0.614
  697   1HG   GLU  84          1HG       GLU  84  12.877  -3.076   2.717
  698   2HG   GLU  84          2HG       GLU  84  13.828  -1.813   1.926
  699    H    GLU  85           H        GLU  85  12.939  -4.059  -2.216
  700    HA   GLU  85           HA       GLU  85  15.535  -5.218  -1.591
  701   1HB   GLU  85          1HB       GLU  85  13.401  -6.483  -2.271
  702   2HB   GLU  85          2HB       GLU  85  13.765  -6.000  -3.940
  703   1HG   GLU  85          1HG       GLU  85  16.024  -7.060  -3.701
  704   2HG   GLU  85          2HG       GLU  85  15.583  -7.586  -2.067
  705    H    ALA  86           H        ALA  86  14.094  -3.676  -4.466
  706    HA   ALA  86           HA       ALA  86  16.325  -3.610  -6.137
  707   1HB   ALA  86          3HB       ALA  86  14.051  -3.072  -6.896
  708   2HB   ALA  86          1HB       ALA  86  14.076  -1.568  -5.941
  709   3HB   ALA  86          2HB       ALA  86  15.186  -1.773  -7.309
  710    H    PHE  87           H        PHE  87  15.331  -1.320  -3.570
  711    HA   PHE  87           HA       PHE  87  17.374   0.609  -3.898
  712   1HB   PHE  87          1HB       PHE  87  15.696   1.085  -2.309
  713   2HB   PHE  87          2HB       PHE  87  15.926  -0.400  -1.420
  714    HD1  PHE  87          1HD       PHE  87  17.754   2.753  -2.381
  715    HD2  PHE  87          2HD       PHE  87  17.500  -0.574   0.368
  716    HE1  PHE  87          1HE       PHE  87  19.480   3.795  -0.925
  717    HE2  PHE  87          2HE       PHE  87  19.217   0.486   1.792
  718    HZ   PHE  87           HZ       PHE  87  20.050   2.792   1.222
  719    H    ARG  88           H        ARG  88  17.455  -2.325  -1.779
  720    HA   ARG  88           HA       ARG  88  20.191  -2.142  -1.144
  721   1HB   ARG  88          1HB       ARG  88  18.495  -3.569  -0.051
  722   2HB   ARG  88          2HB       ARG  88  18.488  -4.669  -1.423
  723   1HG   ARG  88          1HG       ARG  88  21.125  -4.105  -0.023
  724   2HG   ARG  88          2HG       ARG  88  19.894  -5.034   0.818
  725   1HD   ARG  88          1HD       ARG  88  21.233  -6.659  -0.162
  726   2HD   ARG  88          2HD       ARG  88  19.747  -6.613  -1.135
  727    HE   ARG  88           HE       ARG  88  21.793  -4.880  -2.227
  728   1HH1  ARG  88          2HH2      ARG  88  20.912  -8.282  -1.970
  729   2HH1  ARG  88          1HH2      ARG  88  21.748  -8.786  -3.403
  730   1HH2  ARG  88          2HH1      ARG  88  22.932  -5.482  -4.117
  731   2HH2  ARG  88          1HH1      ARG  88  22.970  -7.129  -4.656
  732    H    HIS  89           H        HIS  89  18.591  -3.545  -3.989
  733    HA   HIS  89           HA       HIS  89  20.892  -4.844  -5.048
  734   1HB   HIS  89          1HB       HIS  89  18.454  -5.192  -5.679
  735   2HB   HIS  89          2HB       HIS  89  18.615  -3.768  -6.714
  736    HD1  HIS  89          1HD       HIS  89  21.520  -4.399  -7.934
  737    HD2  HIS  89          2HD       HIS  89  18.401  -7.175  -7.345
  738    HE1  HIS  89          1HE       HIS  89  21.969  -6.360  -9.509
  739    H    LYS  90           H        LYS  90  19.692  -1.512  -5.298
  740    HA   LYS  90           HA       LYS  90  21.458  -0.768  -7.450
  741   1HB   LYS  90          1HB       LYS  90  19.153   0.147  -6.906
  742   2HB   LYS  90          2HB       LYS  90  19.875   1.002  -5.542
  743   1HG   LYS  90          1HG       LYS  90  21.386   1.544  -7.964
  744   2HG   LYS  90          2HG       LYS  90  19.691   1.776  -8.327
  745   1HD   LYS  90          1HD       LYS  90  21.056   3.101  -5.913
  746   2HD   LYS  90          2HD       LYS  90  21.101   3.757  -7.531
  747   1HE   LYS  90          1HE       LYS  90  19.346   4.934  -6.549
  748   2HE   LYS  90          2HE       LYS  90  18.578   3.760  -7.608
  749   1HZ   LYS  90          3HZ       LYS  90  18.143   2.424  -5.613
  750   2HZ   LYS  90          1HZ       LYS  90  18.802   3.628  -4.660
  751   3HZ   LYS  90          2HZ       LYS  90  17.458   3.905  -5.534
  752    H    LEU  91           H        LEU  91  22.765  -1.749  -4.758
  753    HA   LEU  91           HA       LEU  91  24.905   0.019  -4.620
  754   1HB   LEU  91          1HB       LEU  91  24.406   0.887  -2.218
  755   2HB   LEU  91          2HB       LEU  91  23.722   1.736  -3.581
  756    HG   LEU  91           HG       LEU  91  21.781  -0.242  -2.837
  757   1HD1  LEU  91          3HD1      LEU  91  22.893  -0.307  -0.567
  758   2HD1  LEU  91          1HD1      LEU  91  22.450   1.398  -0.419
  759   3HD1  LEU  91          2HD1      LEU  91  21.196   0.181  -0.616
  760   1HD2  LEU  91          3HD2      LEU  91  21.398   1.999  -3.882
  761   2HD2  LEU  91          1HD2      LEU  91  20.373   1.664  -2.495
  762   3HD2  LEU  91          2HD2      LEU  91  21.760   2.754  -2.320
  763    H    ALA  92           H        ALA  92  22.953  -1.713  -2.206
  764    HA   ALA  92           HA       ALA  92  23.449  -3.089  -0.552
  765   1HB   ALA  92          3HB       ALA  92  24.020  -4.601  -2.512
  766   2HB   ALA  92          1HB       ALA  92  25.728  -4.205  -2.238
  767   3HB   ALA  92          2HB       ALA  92  24.802  -5.039  -0.978
  768    H    MET  93           H        MET  93  25.092  -0.504  -0.833
  769    HA   MET  93           HA       MET  93  26.502  -0.859   1.684
  770   1HB   MET  93          1HB       MET  93  28.752  -0.291   0.857
  771   2HB   MET  93          2HB       MET  93  28.180  -1.827   0.218
  772   1HG   MET  93          1HG       MET  93  27.585  -0.691  -1.937
  773   2HG   MET  93          2HG       MET  93  28.188   0.832  -1.277
  774   1HE   MET  93          3HE       MET  93  29.066  -2.710  -2.636
  775   2HE   MET  93          1HE       MET  93  30.835  -2.754  -2.459
  776   3HE   MET  93          2HE       MET  93  29.805  -2.837  -1.014
  777    H    ASP  94           H        ASP  94  24.345   0.789   0.750
  778    HA   ASP  94           HA       ASP  94  25.392   3.484   1.349
  779   1HB   ASP  94          1HB       ASP  94  25.640   3.247  -1.115
  780   2HB   ASP  94          2HB       ASP  94  23.922   2.852  -1.250
  781    H    THR  95           H        THR  95  24.021   1.963   3.036
  782    HA   THR  95           HA       THR  95  21.199   1.806   2.789
  783    HB   THR  95           HB       THR  95  21.733   1.527   5.468
  784    HG1  THR  95          1HG       THR  95  23.981   2.124   4.957
  785   1HG2  THR  95          2HG2      THR  95  22.395  -0.461   3.243
  786   2HG2  THR  95          3HG2      THR  95  22.112  -0.866   4.951
  787   3HG2  THR  95          1HG2      THR  95  20.790  -0.205   3.972
  788    H    TYR  96           H        TYR  96  19.609   2.823   4.311
  789    HA   TYR  96           HA       TYR  96  18.506   4.597   5.086
  790   1HB   TYR  96          1HB       TYR  96  19.835   5.235   6.802
  791   2HB   TYR  96          2HB       TYR  96  21.247   5.532   5.845
  792    HD1  TYR  96          2HD       TYR  96  18.130   7.100   7.057
  793    HD2  TYR  96          1HD       TYR  96  21.783   7.617   4.824
  794    HE1  TYR  96          2HE       TYR  96  17.831   9.536   7.146
  795    HE2  TYR  96          1HE       TYR  96  21.469  10.071   4.912
  796    HH   TYR  96           HH       TYR  96  18.742  11.585   6.653
  797    H    LYS  97           H        LYS  97  18.137   7.023   4.329
  798    HA   LYS  97           HA       LYS  97  17.960   8.605   2.771
  799   1HB   LYS  97          1HB       LYS  97  20.457   8.159   2.653
  800   2HB   LYS  97          2HB       LYS  97  20.134   7.260   1.162
  801   1HG   LYS  97          1HG       LYS  97  19.393   9.218   0.052
  802   2HG   LYS  97          2HG       LYS  97  19.392  10.182   1.551
  803   1HD   LYS  97          1HD       LYS  97  21.697  10.264   1.733
  804   2HD   LYS  97          2HD       LYS  97  21.962   8.785   0.830
  805   1HE   LYS  97          1HE       LYS  97  21.119  11.444  -0.416
  806   2HE   LYS  97          2HE       LYS  97  22.762  10.786  -0.357
  807   1HZ   LYS  97          1HZ       LYS  97  21.780   8.825  -1.602
  808   2HZ   LYS  97          2HZ       LYS  97  20.479   9.792  -1.907
  809   3HZ   LYS  97          3HZ       LYS  97  21.976  10.261  -2.403
  810    H    LEU  98           H        LEU  98  17.918   5.309   1.598
  811    HA   LEU  98           HA       LEU  98  16.909   4.264  -0.046
  812   1HB   LEU  98          1HB       LEU  98  15.185   4.821   1.904
  813   2HB   LEU  98          2HB       LEU  98  14.320   5.593   0.591
  814    HG   LEU  98           HG       LEU  98  13.492   3.350   0.697
  815   1HD1  LEU  98          2HD1      LEU  98  13.934   4.018  -1.581
  816   2HD1  LEU  98          3HD1      LEU  98  15.530   3.267  -1.531
  817   3HD1  LEU  98          1HD1      LEU  98  14.075   2.274  -1.344
  818   1HD2  LEU  98          3HD2      LEU  98  16.336   2.429   1.039
  819   2HD2  LEU  98          1HD2      LEU  98  15.014   2.368   2.203
  820   3HD2  LEU  98          2HD2      LEU  98  14.949   1.350   0.758
  821    H    ASN  99           H        ASN  99  18.193   5.493  -1.570
  822    HA   ASN  99           HA       ASN  99  17.131   7.822  -2.770
  823   1HB   ASN  99          2HB       ASN  99  19.084   7.804  -4.195
  824   2HB   ASN  99          3HB       ASN  99  19.499   7.539  -2.502
  825   1HD2  ASN  99          2HD2      ASN  99  21.518   5.275  -4.741
  826   2HD2  ASN  99          1HD2      ASN  99  21.114   6.976  -4.840
   
  No H/Q in entry =         826
  Start of MODEL    7
    1   1H    MET   0          2H        MET   0 -11.654  17.279 -22.079
    2   2H    MET   0          3H        MET   0 -10.076  17.283 -21.640
    3   3H    MET   0          1H        MET   0 -11.059  16.037 -21.164
    4    HA   MET   0           HA       MET   0 -10.724  17.498 -19.317
    5   1HB   MET   0          2HB       MET   0 -10.209  19.464 -20.878
    6   2HB   MET   0          3HB       MET   0 -11.950  19.647 -21.081
    7   1HG   MET   0          2HG       MET   0 -11.290  21.207 -19.409
    8   2HG   MET   0          3HG       MET   0 -12.136  19.914 -18.569
    9   1HE   MET   0          3HE       MET   0  -8.806  21.623 -19.393
   10   2HE   MET   0          1HE       MET   0  -7.622  20.778 -18.379
   11   3HE   MET   0          2HE       MET   0  -8.289  19.978 -19.816
   12    H    ALA   1           H        ALA   1 -12.321  16.807 -17.961
   13    HA   ALA   1           HA       ALA   1 -14.940  17.889 -18.106
   14   1HB   ALA   1          3HB       ALA   1 -14.760  14.899 -18.630
   15   2HB   ALA   1          1HB       ALA   1 -16.232  15.776 -18.170
   16   3HB   ALA   1          2HB       ALA   1 -15.453  16.138 -19.708
   17    H    ARG   2           H        ARG   2 -14.030  18.577 -16.050
   18    HA   ARG   2           HA       ARG   2 -13.274  18.380 -13.921
   19   1HB   ARG   2          1HB       ARG   2 -14.895  17.724 -12.370
   20   2HB   ARG   2          2HB       ARG   2 -15.641  18.615 -13.682
   21   1HG   ARG   2          1HG       ARG   2 -15.789  15.574 -13.579
   22   2HG   ARG   2          2HG       ARG   2 -16.837  16.601 -12.614
   23   1HD   ARG   2          1HD       ARG   2 -17.745  17.689 -14.563
   24   2HD   ARG   2          2HD       ARG   2 -16.685  16.832 -15.652
   25    HE   ARG   2           HE       ARG   2 -19.087  15.835 -14.355
   26   1HH1  ARG   2          2HH2      ARG   2 -15.950  14.695 -15.744
   27   2HH1  ARG   2          1HH2      ARG   2 -16.692  13.189 -16.252
   28   1HH2  ARG   2          2HH1      ARG   2 -19.810  13.750 -14.838
   29   2HH2  ARG   2          1HH1      ARG   2 -18.820  12.690 -15.849
   30    H    ILE   3           H        ILE   3 -11.412  17.220 -14.622
   31    HA   ILE   3           HA       ILE   3 -11.206  14.383 -14.626
   32    HB   ILE   3           HB       ILE   3  -8.789  14.820 -14.617
   33   1HG1  ILE   3          1HG1      ILE   3  -9.604  17.718 -14.025
   34   2HG1  ILE   3          2HG1      ILE   3  -8.622  16.654 -13.015
   35   1HG2  ILE   3          2HG2      ILE   3 -10.212  15.042 -16.681
   36   2HG2  ILE   3          3HG2      ILE   3 -10.216  16.804 -16.436
   37   3HG2  ILE   3          1HG2      ILE   3  -8.696  15.938 -16.741
   38   1HD1  ILE   3          2HD1      ILE   3  -7.791  17.760 -15.720
   39   2HD1  ILE   3          3HD1      ILE   3  -7.334  18.342 -14.116
   40   3HD1  ILE   3          1HD1      ILE   3  -6.813  16.734 -14.630
   41    H    ASP   4           H        ASP   4 -10.388  12.908 -13.068
   42    HA   ASP   4           HA       ASP   4 -10.899  13.387 -10.310
   43   1HB   ASP   4          1HB       ASP   4  -9.117  11.351 -11.688
   44   2HB   ASP   4          2HB       ASP   4  -9.440  11.368  -9.954
   45    HA   PRO   5           HA       PRO   5  -6.991  15.701  -9.961
   46   1HB   PRO   5          1HB       PRO   5  -7.298  16.835  -7.507
   47   2HB   PRO   5          2HB       PRO   5  -8.188  17.378  -8.955
   48   1HG   PRO   5          1HG       PRO   5  -9.167  15.603  -6.735
   49   2HG   PRO   5          2HG       PRO   5 -10.028  16.936  -7.544
   50   1HD   PRO   5          1HD       PRO   5 -10.376  14.262  -8.199
   51   2HD   PRO   5          2HD       PRO   5 -10.625  15.609  -9.337
   52    H    THR   6           H        THR   6  -8.168  13.846  -7.147
   53    HA   THR   6           HA       THR   6  -5.533  13.222  -6.128
   54    HB   THR   6           HB       THR   6  -6.965  11.589  -4.713
   55    HG1  THR   6          1HG       THR   6  -9.184  13.097  -5.358
   56   1HG2  THR   6          2HG2      THR   6  -7.559  14.588  -4.740
   57   2HG2  THR   6          3HG2      THR   6  -7.959  13.465  -3.421
   58   3HG2  THR   6          1HG2      THR   6  -6.267  13.753  -3.857
   59    H    LYS   7           H        LYS   7  -8.031  11.448  -7.861
   60    HA   LYS   7           HA       LYS   7  -8.156   9.615  -9.078
   61   1HB   LYS   7          1HB       LYS   7  -6.295   9.102 -10.657
   62   2HB   LYS   7          2HB       LYS   7  -7.011  10.711 -10.727
   63   1HG   LYS   7          1HG       LYS   7  -5.061  11.685  -9.559
   64   2HG   LYS   7          2HG       LYS   7  -4.345  10.064  -9.421
   65   1HD   LYS   7          1HD       LYS   7  -3.253  10.964 -11.212
   66   2HD   LYS   7          2HD       LYS   7  -4.501   9.984 -11.990
   67   1HE   LYS   7          1HE       LYS   7  -5.876  12.027 -12.385
   68   2HE   LYS   7          2HE       LYS   7  -4.715  13.002 -11.479
   69   1HZ   LYS   7          1HZ       LYS   7  -3.040  12.374 -13.108
   70   2HZ   LYS   7          2HZ       LYS   7  -4.240  11.617 -14.015
   71   3HZ   LYS   7          3HZ       LYS   7  -4.246  13.259 -13.753
   72    H    LYS   8           H        LYS   8  -4.914   9.231  -7.636
   73    HA   LYS   8           HA       LYS   8  -5.295   6.342  -7.274
   74   1HB   LYS   8          1HB       LYS   8  -3.166   6.644  -5.871
   75   2HB   LYS   8          2HB       LYS   8  -3.076   6.826  -7.621
   76   1HG   LYS   8          1HG       LYS   8  -2.962   9.247  -7.445
   77   2HG   LYS   8          2HG       LYS   8  -3.218   9.181  -5.685
   78   1HD   LYS   8          1HD       LYS   8  -1.066   8.049  -5.382
   79   2HD   LYS   8          2HD       LYS   8  -0.941   7.726  -7.111
   80   1HE   LYS   8          1HE       LYS   8   0.586   9.495  -6.594
   81   2HE   LYS   8          2HE       LYS   8  -0.706  10.144  -7.607
   82   1HZ   LYS   8          1HZ       LYS   8  -0.509  10.464  -4.664
   83   2HZ   LYS   8          2HZ       LYS   8  -0.117  11.583  -5.825
   84   3HZ   LYS   8          3HZ       LYS   8  -1.667  11.159  -5.610
   85    H    GLY   9           H        GLY   9  -5.890   5.311  -5.376
   86   1HA   GLY   9          1HA       GLY   9  -7.317   7.031  -3.400
   87   2HA   GLY   9          2HA       GLY   9  -7.617   5.333  -3.778
   88    H    ARG  10           H        ARG  10  -5.554   3.927  -3.485
   89    HA   ARG  10           HA       ARG  10  -4.621   2.725  -1.788
   90   1HB   ARG  10          1HB       ARG  10  -2.886   5.212  -1.739
   91   2HB   ARG  10          2HB       ARG  10  -2.529   3.690  -0.940
   92   1HG   ARG  10          1HG       ARG  10  -1.427   3.265  -2.868
   93   2HG   ARG  10          2HG       ARG  10  -2.994   2.596  -3.292
   94   1HD   ARG  10          1HD       ARG  10  -3.321   5.236  -4.044
   95   2HD   ARG  10          2HD       ARG  10  -1.604   5.046  -4.339
   96    HE   ARG  10           HE       ARG  10  -3.900   3.751  -5.677
   97   1HH1  ARG  10          2HH2      ARG  10  -0.391   3.469  -5.065
   98   2HH1  ARG  10          1HH2      ARG  10  -0.125   2.465  -6.455
   99   1HH2  ARG  10          2HH1      ARG  10  -3.458   2.580  -7.655
  100   2HH2  ARG  10          1HH1      ARG  10  -1.806   2.378  -8.158
  101    H    ARG  11           H        ARG  11  -6.350   2.598  -0.480
  102    HA   ARG  11           HA       ARG  11  -7.163   4.195   1.585
  103   1HB   ARG  11          1HB       ARG  11  -8.189   2.112   0.623
  104   2HB   ARG  11          2HB       ARG  11  -7.048   1.143   1.573
  105   1HG   ARG  11          1HG       ARG  11  -8.094   1.864   3.633
  106   2HG   ARG  11          2HG       ARG  11  -8.908   3.186   2.795
  107   1HD   ARG  11          1HD       ARG  11 -10.494   1.373   3.276
  108   2HD   ARG  11          2HD       ARG  11 -10.312   1.696   1.552
  109    HE   ARG  11           HE       ARG  11  -8.578  -0.490   2.297
  110   1HH1  ARG  11          2HH2      ARG  11 -11.886   0.242   1.353
  111   2HH1  ARG  11          1HH2      ARG  11 -12.570  -1.185   2.111
  112   1HH2  ARG  11          2HH1      ARG  11  -9.440  -2.802   2.499
  113   2HH2  ARG  11          1HH1      ARG  11 -11.162  -2.876   2.707
  114    H    ASN  12           H        ASN  12  -6.833   4.196   3.825
  115    HA   ASN  12           HA       ASN  12  -4.123   3.372   4.799
  116   1HB   ASN  12          1HB       ASN  12  -3.963   5.602   5.829
  117   2HB   ASN  12          2HB       ASN  12  -4.024   5.654   4.060
  118   1HD2  ASN  12          2HD2      ASN  12  -6.287   8.373   4.996
  119   2HD2  ASN  12          1HD2      ASN  12  -4.593   8.027   4.742
  120    H    ARG  13           H        ARG  13  -7.475   4.184   5.747
  121    HA   ARG  13           HA       ARG  13  -7.382   3.360   8.425
  122   1HB   ARG  13          1HB       ARG  13  -9.755   2.621   8.106
  123   2HB   ARG  13          2HB       ARG  13  -9.380   4.256   7.564
  124   1HG   ARG  13          1HG       ARG  13  -9.201   3.349   5.206
  125   2HG   ARG  13          2HG       ARG  13  -9.862   1.816   5.798
  126   1HD   ARG  13          1HD       ARG  13 -11.970   2.753   6.249
  127   2HD   ARG  13          2HD       ARG  13 -11.382   4.401   6.337
  128    HE   ARG  13           HE       ARG  13 -12.288   2.994   3.981
  129   1HH1  ARG  13          2HH2      ARG  13 -10.206   5.659   5.065
  130   2HH1  ARG  13          1HH2      ARG  13  -9.699   6.083   3.450
  131   1HH2  ARG  13          2HH1      ARG  13 -12.087   3.965   1.897
  132   2HH2  ARG  13          1HH1      ARG  13 -10.797   5.104   1.586
  133    H    PHE  14           H        PHE  14  -7.679   1.412   5.512
  134    HA   PHE  14           HA       PHE  14  -7.531  -1.209   6.637
  135   1HB   PHE  14          1HB       PHE  14  -8.349  -0.888   4.425
  136   2HB   PHE  14          2HB       PHE  14  -6.909   0.054   3.960
  137    HD1  PHE  14          1HD       PHE  14  -7.106  -3.403   5.490
  138    HD2  PHE  14          2HD       PHE  14  -6.317  -1.070   1.952
  139    HE1  PHE  14          1HE       PHE  14  -5.696  -5.203   4.626
  140    HE2  PHE  14          2HE       PHE  14  -5.305  -3.070   0.959
  141    HZ   PHE  14           HZ       PHE  14  -4.588  -4.968   2.412
  142    H    LYS  15           H        LYS  15  -5.715  -2.633   6.745
  143    HA   LYS  15           HA       LYS  15  -3.131  -2.113   5.874
  144   1HB   LYS  15          1HB       LYS  15  -2.093  -2.242   8.216
  145   2HB   LYS  15          2HB       LYS  15  -2.825  -0.732   7.672
  146   1HG   LYS  15          1HG       LYS  15  -4.972  -1.486   9.032
  147   2HG   LYS  15          2HG       LYS  15  -3.947  -2.739   9.671
  148   1HD   LYS  15          1HD       LYS  15  -4.101  -0.742  11.146
  149   2HD   LYS  15          2HD       LYS  15  -2.443  -1.092  10.681
  150   1HE   LYS  15          1HE       LYS  15  -3.232   1.384  10.662
  151   2HE   LYS  15          2HE       LYS  15  -2.267   0.813   9.300
  152   1HZ   LYS  15          1HZ       LYS  15  -5.232   0.985   9.212
  153   2HZ   LYS  15          2HZ       LYS  15  -4.222   2.109   8.571
  154   3HZ   LYS  15          3HZ       LYS  15  -4.240   0.627   7.980
  155    H    TRP  16           H        TRP  16  -1.857  -4.100   6.319
  156    HA   TRP  16           HA       TRP  16  -3.454  -6.404   5.845
  157   1HB   TRP  16          1HB       TRP  16  -0.505  -5.991   6.498
  158   2HB   TRP  16          2HB       TRP  16  -1.223  -7.546   6.081
  159    HD1  TRP  16           HD       TRP  16  -0.328  -4.214   4.393
  160    HE1  TRP  16          1HE       TRP  16  -0.366  -4.578   1.838
  161    HE3  TRP  16          3HE       TRP  16  -2.122  -8.969   4.272
  162    HZ2  TRP  16          2HZ       TRP  16  -1.160  -6.640  -0.005
  163    HZ3  TRP  16          3HZ       TRP  16  -2.481 -10.145   2.118
  164    HH2  TRP  16           HH       TRP  16  -1.973  -9.002   0.007
  165    H    GLY  17           H        GLY  17  -3.628  -8.344   7.124
  166   1HA   GLY  17          1HA       GLY  17  -3.717  -7.848  10.065
  167   2HA   GLY  17          2HA       GLY  17  -4.870  -8.816   9.129
  168    HA   PRO  18           HA       PRO  18  -1.105 -11.074  10.985
  169   1HB   PRO  18          1HB       PRO  18  -2.431 -12.874  12.641
  170   2HB   PRO  18          2HB       PRO  18  -1.846 -11.261  13.129
  171   1HG   PRO  18          1HG       PRO  18  -4.631 -12.028  12.225
  172   2HG   PRO  18          2HG       PRO  18  -4.169 -11.028  13.632
  173   1HD   PRO  18          1HD       PRO  18  -4.962  -9.873  11.321
  174   2HD   PRO  18          2HD       PRO  18  -3.583  -9.182  12.224
  175    H    ALA  19           H        ALA  19  -4.105 -12.347   9.758
  176    HA   ALA  19           HA       ALA  19  -2.901 -15.016   9.122
  177   1HB   ALA  19          2HB       ALA  19  -5.150 -15.009  10.217
  178   2HB   ALA  19          3HB       ALA  19  -5.788 -14.007   8.893
  179   3HB   ALA  19          1HB       ALA  19  -5.225 -15.658   8.568
  180    H    SER  20           H        SER  20  -3.304 -11.905   7.848
  181    HA   SER  20           HA       SER  20  -3.523 -12.680   5.053
  182   1HB   SER  20          1HB       SER  20  -2.727 -10.011   6.169
  183   2HB   SER  20          2HB       SER  20  -3.771 -10.402   4.768
  184    HG   SER  20           HG       SER  20  -5.387 -10.981   6.221
  185    H    GLN  21           H        GLN  21  -1.112 -11.612   7.499
  186    HA   GLN  21           HA       GLN  21   1.050 -11.097   5.807
  187   1HB   GLN  21          1HB       GLN  21   1.327 -12.493   8.505
  188   2HB   GLN  21          2HB       GLN  21   2.548 -11.546   7.664
  189   1HG   GLN  21          1HG       GLN  21   0.065 -10.591   9.066
  190   2HG   GLN  21          2HG       GLN  21   1.731 -10.249   9.483
  191   1HE2  GLN  21          2HE2      GLN  21   1.879  -8.049   6.378
  192   2HE2  GLN  21          1HE2      GLN  21   2.620  -9.600   6.744
  193    H    GLN  22           H        GLN  22   0.044 -14.268   7.138
  194    HA   GLN  22           HA       GLN  22   2.326 -15.726   6.469
  195   1HB   GLN  22          1HB       GLN  22   0.983 -17.699   6.679
  196   2HB   GLN  22          2HB       GLN  22   0.475 -16.509   7.886
  197   1HG   GLN  22          1HG       GLN  22  -1.407 -15.875   6.375
  198   2HG   GLN  22          2HG       GLN  22  -0.981 -17.231   5.316
  199   1HE2  GLN  22          2HE2      GLN  22  -2.180 -19.741   7.548
  200   2HE2  GLN  22          1HE2      GLN  22  -1.114 -19.431   6.188
  201    H    ILE  23           H        ILE  23  -0.472 -14.875   4.405
  202    HA   ILE  23           HA       ILE  23   0.587 -16.385   2.209
  203    HB   ILE  23           HB       ILE  23  -1.685 -14.392   2.331
  204   1HG1  ILE  23          1HG1      ILE  23  -2.543 -17.046   1.688
  205   2HG1  ILE  23          2HG1      ILE  23  -1.345 -17.256   2.968
  206   1HG2  ILE  23          3HG2      ILE  23  -0.718 -14.562  -0.007
  207   2HG2  ILE  23          1HG2      ILE  23  -1.030 -16.299   0.047
  208   3HG2  ILE  23          2HG2      ILE  23  -2.360 -15.125   0.164
  209   1HD1  ILE  23          1HD1      ILE  23  -2.548 -15.572   4.316
  210   2HD1  ILE  23          2HD1      ILE  23  -3.818 -15.542   3.059
  211   3HD1  ILE  23          3HD1      ILE  23  -3.480 -17.050   3.956
  212    H    LEU  24           H        LEU  24   1.126 -13.080   3.346
  213    HA   LEU  24           HA       LEU  24   2.093 -12.111   0.806
  214   1HB   LEU  24          1HB       LEU  24   2.867 -11.317   3.662
  215   2HB   LEU  24          2HB       LEU  24   3.585 -10.616   2.224
  216    HG   LEU  24           HG       LEU  24   0.649 -10.431   3.005
  217   1HD1  LEU  24          1HD1      LEU  24   2.267  -8.879   4.158
  218   2HD1  LEU  24          2HD1      LEU  24   2.818  -8.315   2.562
  219   3HD1  LEU  24          3HD1      LEU  24   1.154  -8.014   3.082
  220   1HD2  LEU  24          1HD2      LEU  24   2.123  -9.904   0.455
  221   2HD2  LEU  24          2HD2      LEU  24   0.464 -10.468   0.680
  222   3HD2  LEU  24          3HD2      LEU  24   0.869  -8.752   0.899
  223    H    PHE  25           H        PHE  25   3.731 -13.809   3.505
  224    HA   PHE  25           HA       PHE  25   6.215 -14.122   2.125
  225   1HB   PHE  25          1HB       PHE  25   4.974 -16.028   4.139
  226   2HB   PHE  25          2HB       PHE  25   6.653 -15.937   3.658
  227    HD1  PHE  25          1HD       PHE  25   7.947 -13.742   4.139
  228    HD2  PHE  25          2HD       PHE  25   4.169 -14.693   5.941
  229    HE1  PHE  25          1HE       PHE  25   8.375 -12.068   5.923
  230    HE2  PHE  25          2HE       PHE  25   4.590 -13.039   7.736
  231    HZ   PHE  25           HZ       PHE  25   6.695 -11.707   7.726
  232    H    GLN  26           H        GLN  26   3.513 -16.503   2.481
  233    HA   GLN  26           HA       GLN  26   4.721 -18.386   0.864
  234   1HB   GLN  26          1HB       GLN  26   2.868 -19.675   1.224
  235   2HB   GLN  26          2HB       GLN  26   2.523 -18.381   2.359
  236   1HG   GLN  26          1HG       GLN  26   1.087 -17.360   0.422
  237   2HG   GLN  26          2HG       GLN  26   1.320 -18.945  -0.314
  238   1HE2  GLN  26          2HE2      GLN  26  -1.745 -19.726   1.368
  239   2HE2  GLN  26          1HE2      GLN  26  -1.182 -19.127  -0.164
  240    H    ALA  27           H        ALA  27   2.993 -15.539  -0.185
  241    HA   ALA  27           HA       ALA  27   2.786 -16.305  -3.006
  242   1HB   ALA  27          1HB       ALA  27   1.207 -14.751  -1.907
  243   2HB   ALA  27          2HB       ALA  27   2.543 -13.599  -1.671
  244   3HB   ALA  27          3HB       ALA  27   2.016 -14.045  -3.317
  245    H    TYR  28           H        TYR  28   4.924 -14.194  -1.010
  246    HA   TYR  28           HA       TYR  28   6.626 -13.244  -3.055
  247   1HB   TYR  28          1HB       TYR  28   6.511 -12.629  -0.519
  248   2HB   TYR  28          2HB       TYR  28   7.526 -14.026  -0.252
  249    HD1  TYR  28          2HD       TYR  28   7.297 -10.786  -2.105
  250    HD2  TYR  28          1HD       TYR  28   9.905 -13.818  -0.508
  251    HE1  TYR  28          2HE       TYR  28   9.257  -9.497  -2.880
  252    HE2  TYR  28          1HE       TYR  28  11.869 -12.479  -1.177
  253    HH   TYR  28           HH       TYR  28  12.576 -10.561  -2.425
  254    H    GLU  29           H        GLU  29   6.844 -16.222  -1.121
  255    HA   GLU  29           HA       GLU  29   9.033 -17.458  -2.303
  256   1HB   GLU  29          1HB       GLU  29   6.315 -18.366  -1.275
  257   2HB   GLU  29          2HB       GLU  29   7.262 -19.528  -2.215
  258   1HG   GLU  29          1HG       GLU  29   7.690 -19.959  -0.142
  259   2HG   GLU  29          2HG       GLU  29   9.148 -19.165  -0.752
  260    H    ARG  30           H        ARG  30   5.654 -17.835  -3.291
  261    HA   ARG  30           HA       ARG  30   6.539 -19.634  -5.095
  262   1HB   ARG  30          1HB       ARG  30   3.826 -18.295  -4.824
  263   2HB   ARG  30          2HB       ARG  30   4.065 -19.553  -6.038
  264   1HG   ARG  30          1HG       ARG  30   4.594 -21.236  -4.434
  265   2HG   ARG  30          2HG       ARG  30   4.679 -20.073  -3.108
  266   1HD   ARG  30          1HD       ARG  30   2.166 -20.728  -4.731
  267   2HD   ARG  30          2HD       ARG  30   2.531 -21.315  -3.089
  268    HE   ARG  30           HE       ARG  30   2.811 -18.621  -2.844
  269   1HH1  ARG  30          2HH2      ARG  30   0.106 -20.786  -3.599
  270   2HH1  ARG  30          1HH2      ARG  30  -1.060 -19.679  -2.900
  271   1HH2  ARG  30          2HH1      ARG  30   1.174 -17.103  -2.190
  272   2HH2  ARG  30          1HH1      ARG  30  -0.498 -17.526  -2.394
  273    H    GLN  31           H        GLN  31   5.465 -16.231  -5.504
  274    HA   GLN  31           HA       GLN  31   6.400 -16.081  -8.258
  275   1HB   GLN  31          1HB       GLN  31   3.670 -16.427  -7.812
  276   2HB   GLN  31          2HB       GLN  31   3.809 -14.675  -7.902
  277   1HG   GLN  31          1HG       GLN  31   4.802 -14.841 -10.129
  278   2HG   GLN  31          2HG       GLN  31   5.058 -16.578  -9.938
  279   1HE2  GLN  31          2HE2      GLN  31   1.062 -15.886 -10.445
  280   2HE2  GLN  31          1HE2      GLN  31   1.877 -15.000  -9.173
  281    H    LYS  32           H        LYS  32   6.780 -13.628  -8.758
  282    HA   LYS  32           HA       LYS  32   7.890 -12.559  -6.212
  283   1HB   LYS  32          1HB       LYS  32   9.371 -13.794  -8.568
  284   2HB   LYS  32          2HB       LYS  32  10.217 -12.612  -7.611
  285   1HG   LYS  32          1HG       LYS  32   8.864 -14.750  -5.999
  286   2HG   LYS  32          2HG       LYS  32  10.085 -15.332  -7.102
  287   1HD   LYS  32          1HD       LYS  32  10.989 -14.905  -4.923
  288   2HD   LYS  32          2HD       LYS  32  11.804 -13.904  -6.121
  289   1HE   LYS  32          1HE       LYS  32   9.564 -12.951  -4.228
  290   2HE   LYS  32          2HE       LYS  32  11.295 -12.871  -3.890
  291   1HZ   LYS  32          1HZ       LYS  32  11.485 -11.433  -5.888
  292   2HZ   LYS  32          2HZ       LYS  32   9.844 -11.320  -5.941
  293   3HZ   LYS  32          3HZ       LYS  32  10.677 -10.793  -4.625
  294    H    ASN  33           H        ASN  33   6.754 -11.633  -9.301
  295    HA   ASN  33           HA       ASN  33   7.566  -8.881  -8.792
  296   1HB   ASN  33          1HB       ASN  33   8.272 -10.389 -11.305
  297   2HB   ASN  33          2HB       ASN  33   7.592  -8.772 -11.500
  298   1HD2  ASN  33          2HD2      ASN  33  11.011  -8.849  -9.196
  299   2HD2  ASN  33          1HD2      ASN  33   9.703  -9.948  -8.866
  300    HA   PRO  34           HA       PRO  34   3.301  -9.410  -8.900
  301   1HB   PRO  34          1HB       PRO  34   2.308  -6.894  -8.481
  302   2HB   PRO  34          2HB       PRO  34   3.330  -7.790  -7.337
  303   1HG   PRO  34          1HG       PRO  34   4.266  -5.736  -9.351
  304   2HG   PRO  34          2HG       PRO  34   4.572  -5.736  -7.593
  305   1HD   PRO  34          1HD       PRO  34   6.383  -6.789  -9.327
  306   2HD   PRO  34          2HD       PRO  34   6.051  -7.609  -7.774
  307    H    SER  35           H        SER  35   3.661 -10.054 -11.312
  308    HA   SER  35           HA       SER  35   3.097  -8.287 -13.387
  309   1HB   SER  35          1HB       SER  35   2.738 -11.318 -13.406
  310   2HB   SER  35          2HB       SER  35   2.927 -10.250 -14.797
  311    HG   SER  35           HG       SER  35   4.786 -10.938 -12.756
  312    H    LYS  36           H        LYS  36   0.858 -10.978 -12.515
  313    HA   LYS  36           HA       LYS  36  -1.507  -9.196 -12.672
  314   1HB   LYS  36          1HB       LYS  36  -0.712 -11.363 -14.644
  315   2HB   LYS  36          2HB       LYS  36  -2.407 -11.127 -14.274
  316   1HG   LYS  36          1HG       LYS  36  -2.585  -9.095 -15.297
  317   2HG   LYS  36          2HG       LYS  36  -0.912  -8.633 -15.038
  318   1HD   LYS  36          1HD       LYS  36  -1.760 -10.802 -16.999
  319   2HD   LYS  36          2HD       LYS  36  -1.540  -9.093 -17.437
  320   1HE   LYS  36          1HE       LYS  36   0.825  -9.190 -16.574
  321   2HE   LYS  36          2HE       LYS  36   0.630 -10.911 -16.249
  322   1HZ   LYS  36          2HZ       LYS  36   0.195 -11.213 -18.637
  323   2HZ   LYS  36          3HZ       LYS  36   0.693  -9.650 -18.901
  324   3HZ   LYS  36          1HZ       LYS  36   1.698 -10.724 -18.211
  325    H    GLU  37           H        GLU  37  -0.873 -12.649 -13.175
  326    HA   GLU  37           HA       GLU  37  -2.744 -13.769 -11.594
  327   1HB   GLU  37          1HB       GLU  37  -0.093 -14.417 -12.954
  328   2HB   GLU  37          2HB       GLU  37  -0.439 -15.351 -11.540
  329   1HG   GLU  37          1HG       GLU  37  -1.292 -16.701 -13.166
  330   2HG   GLU  37          2HG       GLU  37  -2.754 -15.875 -12.593
  331    H    GLU  38           H        GLU  38   0.604 -12.881 -10.927
  332    HA   GLU  38           HA       GLU  38   0.594 -13.155  -8.045
  333   1HB   GLU  38          1HB       GLU  38   2.749 -13.321  -9.503
  334   2HB   GLU  38          2HB       GLU  38   2.531 -11.633  -9.890
  335   1HG   GLU  38          1HG       GLU  38   2.696 -11.111  -7.436
  336   2HG   GLU  38          2HG       GLU  38   2.988 -12.811  -7.100
  337    H    ARG  39           H        ARG  39  -1.345 -12.095  -8.257
  338    HA   ARG  39           HA       ARG  39  -1.254 -10.165  -6.393
  339   1HB   ARG  39          1HB       ARG  39  -1.604  -8.958  -9.177
  340   2HB   ARG  39          2HB       ARG  39  -2.719  -8.365  -7.950
  341   1HG   ARG  39          1HG       ARG  39  -0.987  -7.624  -6.528
  342   2HG   ARG  39          2HG       ARG  39   0.302  -8.266  -7.540
  343   1HD   ARG  39          1HD       ARG  39  -1.625  -5.989  -8.044
  344   2HD   ARG  39          2HD       ARG  39   0.120  -5.897  -7.866
  345    HE   ARG  39           HE       ARG  39   0.418  -7.121  -9.992
  346   1HH1  ARG  39          2HH2      ARG  39  -2.717  -5.376  -9.473
  347   2HH1  ARG  39          1HH2      ARG  39  -2.812  -4.912 -11.123
  348   1HH2  ARG  39          2HH1      ARG  39   0.030  -6.725 -12.201
  349   2HH2  ARG  39          1HH1      ARG  39  -1.485  -6.052 -12.678
  350    H    GLU  40           H        GLU  40  -3.203 -11.037  -9.209
  351    HA   GLU  40           HA       GLU  40  -5.701 -10.846  -7.930
  352   1HB   GLU  40          1HB       GLU  40  -4.590 -11.758 -10.432
  353   2HB   GLU  40          2HB       GLU  40  -5.863 -12.873  -9.937
  354   1HG   GLU  40          1HG       GLU  40  -7.498 -11.139  -9.699
  355   2HG   GLU  40          2HG       GLU  40  -6.260  -9.868  -9.769
  356    H    THR  41           H        THR  41  -3.488 -13.585  -8.306
  357    HA   THR  41           HA       THR  41  -4.537 -15.632  -6.800
  358    HB   THR  41           HB       THR  41  -1.828 -14.407  -7.110
  359    HG1  THR  41          1HG       THR  41  -3.061 -16.779  -8.035
  360   1HG2  THR  41          2HG2      THR  41  -2.317 -16.829  -5.421
  361   2HG2  THR  41          3HG2      THR  41  -0.756 -16.404  -6.188
  362   3HG2  THR  41          1HG2      THR  41  -1.469 -15.330  -4.996
  363    H    LEU  42           H        LEU  42  -2.629 -12.877  -5.563
  364    HA   LEU  42           HA       LEU  42  -2.657 -13.971  -2.930
  365   1HB   LEU  42          1HB       LEU  42  -1.107 -12.141  -4.241
  366   2HB   LEU  42          2HB       LEU  42  -2.086 -11.052  -3.244
  367    HG   LEU  42           HG       LEU  42  -0.539 -13.462  -2.231
  368   1HD1  LEU  42          1HD1      LEU  42   0.959 -11.708  -3.144
  369   2HD1  LEU  42          2HD1      LEU  42   0.218 -10.522  -2.036
  370   3HD1  LEU  42          3HD1      LEU  42   1.143 -11.875  -1.390
  371   1HD2  LEU  42          2HD2      LEU  42  -1.841 -11.146  -0.766
  372   2HD2  LEU  42          3HD2      LEU  42  -2.282 -12.868  -0.661
  373   3HD2  LEU  42          1HD2      LEU  42  -0.732 -12.310  -0.013
  374    H    VAL  43           H        VAL  43  -4.553 -11.431  -4.555
  375    HA   VAL  43           HA       VAL  43  -5.927 -10.632  -2.162
  376    HB   VAL  43           HB       VAL  43  -6.944 -10.369  -5.017
  377   1HG1  VAL  43          2HG1      VAL  43  -7.647  -9.054  -2.350
  378   2HG1  VAL  43          3HG1      VAL  43  -8.208  -8.432  -3.910
  379   3HG1  VAL  43          1HG1      VAL  43  -8.725 -10.031  -3.365
  380   1HG2  VAL  43          2HG2      VAL  43  -5.332  -8.489  -3.224
  381   2HG2  VAL  43          3HG2      VAL  43  -4.784  -9.198  -4.766
  382   3HG2  VAL  43          1HG2      VAL  43  -6.145  -8.074  -4.743
  383    H    GLU  44           H        GLU  44  -6.745 -13.097  -4.695
  384    HA   GLU  44           HA       GLU  44  -9.262 -13.870  -3.548
  385   1HB   GLU  44          1HB       GLU  44  -8.740 -14.678  -5.735
  386   2HB   GLU  44          2HB       GLU  44  -7.085 -15.089  -5.262
  387   1HG   GLU  44          1HG       GLU  44  -8.268 -17.061  -5.829
  388   2HG   GLU  44          2HG       GLU  44  -7.790 -17.102  -4.139
  389    H    GLU  45           H        GLU  45  -6.055 -15.405  -3.146
  390    HA   GLU  45           HA       GLU  45  -6.561 -17.252  -1.171
  391   1HB   GLU  45          1HB       GLU  45  -4.282 -15.797  -2.176
  392   2HB   GLU  45          2HB       GLU  45  -4.125 -16.090  -0.451
  393   1HG   GLU  45          1HG       GLU  45  -4.343 -18.467  -0.719
  394   2HG   GLU  45          2HG       GLU  45  -4.686 -18.277  -2.451
  395    H    CYS  46           H        CYS  46  -5.736 -13.834  -0.749
  396    HA   CYS  46           HA       CYS  46  -5.749 -13.852   2.117
  397   1HB   CYS  46          1HB       CYS  46  -4.619 -12.062   0.764
  398   2HB   CYS  46          2HB       CYS  46  -6.204 -11.422   0.312
  399    HG   CYS  46           HG       CYS  46  -7.110 -10.912   2.609
  400    H    ASN  47           H        ASN  47  -8.097 -12.545  -0.184
  401    HA   ASN  47           HA       ASN  47 -10.148 -11.662   1.539
  402   1HB   ASN  47          1HB       ASN  47 -10.073 -12.672  -1.323
  403   2HB   ASN  47          2HB       ASN  47 -11.567 -12.206  -0.616
  404   1HD2  ASN  47          2HD2      ASN  47  -9.196  -8.882  -0.457
  405   2HD2  ASN  47          1HD2      ASN  47  -9.031 -10.161   0.730
  406    H    ARG  48           H        ARG  48  -9.604 -14.855   0.080
  407    HA   ARG  48           HA       ARG  48 -11.899 -16.125   1.149
  408   1HB   ARG  48          1HB       ARG  48 -10.274 -16.906  -0.629
  409   2HB   ARG  48          2HB       ARG  48  -9.164 -17.388   0.654
  410   1HG   ARG  48          1HG       ARG  48 -10.854 -18.922   1.572
  411   2HG   ARG  48          2HG       ARG  48 -12.039 -18.388   0.367
  412   1HD   ARG  48          1HD       ARG  48  -9.376 -19.739  -0.275
  413   2HD   ARG  48          2HD       ARG  48 -10.967 -20.544  -0.201
  414    HE   ARG  48           HE       ARG  48 -10.620 -18.218  -2.077
  415   1HH1  ARG  48          2HH2      ARG  48 -10.324 -21.679  -1.815
  416   2HH1  ARG  48          1HH2      ARG  48 -10.794 -22.011  -3.458
  417   1HH2  ARG  48          2HH1      ARG  48 -11.244 -18.560  -4.213
  418   2HH2  ARG  48          1HH1      ARG  48 -11.303 -20.127  -4.901
  419    H    ALA  49           H        ALA  49  -8.511 -15.919   2.416
  420    HA   ALA  49           HA       ALA  49  -9.083 -17.132   4.919
  421   1HB   ALA  49          2HB       ALA  49  -6.782 -16.738   4.052
  422   2HB   ALA  49          3HB       ALA  49  -6.975 -15.002   4.372
  423   3HB   ALA  49          1HB       ALA  49  -7.011 -16.155   5.713
  424    H    GLU  50           H        GLU  50  -9.567 -13.779   3.877
  425    HA   GLU  50           HA       GLU  50 -10.022 -12.735   6.524
  426   1HB   GLU  50          1HB       GLU  50 -10.745 -11.806   3.753
  427   2HB   GLU  50          2HB       GLU  50 -11.105 -10.896   5.239
  428   1HG   GLU  50          1HG       GLU  50  -8.769 -10.548   5.689
  429   2HG   GLU  50          2HG       GLU  50  -8.295 -11.660   4.404
  430    H    CYS  51           H        CYS  51 -12.124 -14.014   3.909
  431    HA   CYS  51           HA       CYS  51 -14.567 -13.638   5.336
  432   1HB   CYS  51          1HB       CYS  51 -15.619 -14.553   3.590
  433   2HB   CYS  51          2HB       CYS  51 -14.055 -14.358   2.786
  434    HG   CYS  51           HG       CYS  51 -15.496 -16.963   4.214
  435    H    ILE  52           H        ILE  52 -12.173 -16.305   5.355
  436    HA   ILE  52           HA       ILE  52 -13.873 -18.172   6.682
  437    HB   ILE  52           HB       ILE  52 -10.868 -17.955   6.324
  438   1HG1  ILE  52          1HG1      ILE  52 -12.905 -19.989   5.304
  439   2HG1  ILE  52          2HG1      ILE  52 -12.481 -18.537   4.411
  440   1HG2  ILE  52          3HG2      ILE  52 -12.378 -20.192   7.743
  441   2HG2  ILE  52          1HG2      ILE  52 -10.677 -20.268   7.239
  442   3HG2  ILE  52          2HG2      ILE  52 -11.160 -19.117   8.467
  443   1HD1  ILE  52          1HD1      ILE  52 -10.101 -19.266   4.331
  444   2HD1  ILE  52          2HD1      ILE  52 -10.566 -20.799   5.106
  445   3HD1  ILE  52          3HD1      ILE  52 -11.221 -20.378   3.522
  446    H    GLN  53           H        GLN  53 -11.868 -15.550   7.809
  447    HA   GLN  53           HA       GLN  53 -11.729 -16.060  10.585
  448   1HB   GLN  53          1HB       GLN  53 -12.516 -13.378   9.349
  449   2HB   GLN  53          2HB       GLN  53 -11.980 -13.642  11.000
  450   1HG   GLN  53          1HG       GLN  53  -9.778 -14.448  10.204
  451   2HG   GLN  53          2HG       GLN  53 -10.304 -14.202   8.532
  452   1HE2  GLN  53          2HE2      GLN  53  -8.674 -11.070   8.776
  453   2HE2  GLN  53          1HE2      GLN  53  -8.574 -12.706   8.153
  454    H    ARG  54           H        ARG  54 -14.597 -15.037   8.681
  455    HA   ARG  54           HA       ARG  54 -16.333 -15.393  11.063
  456   1HB   ARG  54          1HB       ARG  54 -16.124 -12.892   9.319
  457   2HB   ARG  54          2HB       ARG  54 -17.284 -13.210  10.610
  458   1HG   ARG  54          1HG       ARG  54 -15.199 -13.536  12.148
  459   2HG   ARG  54          2HG       ARG  54 -14.258 -12.820  10.836
  460   1HD   ARG  54          1HD       ARG  54 -14.835 -11.132  12.546
  461   2HD   ARG  54          2HD       ARG  54 -15.473 -10.763  10.947
  462    HE   ARG  54           HE       ARG  54 -17.590 -10.997  11.640
  463   1HH1  ARG  54          2HH2      ARG  54 -15.537 -12.597  13.993
  464   2HH1  ARG  54          1HH2      ARG  54 -16.782 -12.969  15.137
  465   1HH2  ARG  54          2HH1      ARG  54 -19.337 -11.435  13.144
  466   2HH2  ARG  54          1HH1      ARG  54 -19.029 -12.285  14.619
  467    H    GLY  55           H        GLY  55 -15.888 -16.867   8.482
  468   1HA   GLY  55          1HA       GLY  55 -17.174 -17.988   6.982
  469   2HA   GLY  55          2HA       GLY  55 -18.639 -17.349   7.734
  470    H    VAL  56           H        VAL  56 -19.109 -15.028   7.238
  471    HA   VAL  56           HA       VAL  56 -20.064 -13.742   5.633
  472    HB   VAL  56           HB       VAL  56 -17.145 -13.702   4.899
  473   1HG1  VAL  56          3HG1      VAL  56 -19.210 -12.076   3.365
  474   2HG1  VAL  56          1HG1      VAL  56 -17.458 -11.839   3.353
  475   3HG1  VAL  56          2HG1      VAL  56 -18.119 -13.327   2.703
  476   1HG2  VAL  56          1HG2      VAL  56 -18.000 -12.517   6.890
  477   2HG2  VAL  56          2HG2      VAL  56 -17.320 -11.413   5.678
  478   3HG2  VAL  56          3HG2      VAL  56 -19.080 -11.566   5.839
  479    H    SER  57           H        SER  57 -20.552 -13.531   3.153
  480    HA   SER  57           HA       SER  57 -21.463 -16.136   2.244
  481   1HB   SER  57          1HB       SER  57 -21.878 -13.357   1.609
  482   2HB   SER  57          2HB       SER  57 -21.537 -14.261   0.131
  483    HG   SER  57           HG       SER  57 -23.750 -14.236   0.671
  484    HA   PRO  58           HA       PRO  58 -17.160 -16.677   0.850
  485   1HB   PRO  58          1HB       PRO  58 -17.419 -18.898  -0.805
  486   2HB   PRO  58          2HB       PRO  58 -17.336 -18.950   0.977
  487   1HG   PRO  58          1HG       PRO  58 -19.817 -19.005  -0.754
  488   2HG   PRO  58          2HG       PRO  58 -19.426 -20.045   0.645
  489   1HD   PRO  58          1HD       PRO  58 -21.050 -17.896   0.904
  490   2HD   PRO  58          2HD       PRO  58 -19.859 -18.274   2.186
  491    H    SER  59           H        SER  59 -19.836 -16.790  -1.499
  492    HA   SER  59           HA       SER  59 -18.408 -16.102  -3.862
  493   1HB   SER  59          1HB       SER  59 -20.855 -15.250  -4.396
  494   2HB   SER  59          2HB       SER  59 -20.543 -16.982  -4.166
  495    HG   SER  59           HG       SER  59 -22.329 -16.313  -2.888
  496    H    GLN  60           H        GLN  60 -19.268 -14.238  -1.065
  497    HA   GLN  60           HA       GLN  60 -18.609 -11.674  -2.432
  498   1HB   GLN  60          1HB       GLN  60 -20.463 -12.147  -0.060
  499   2HB   GLN  60          2HB       GLN  60 -20.119 -10.590  -0.811
  500   1HG   GLN  60          1HG       GLN  60 -21.231 -11.270  -2.885
  501   2HG   GLN  60          2HG       GLN  60 -21.501 -12.902  -2.258
  502   1HE2  GLN  60          2HE2      GLN  60 -24.197 -10.085  -1.325
  503   2HE2  GLN  60          1HE2      GLN  60 -22.930  -9.798  -2.516
  504    H    ALA  61           H        ALA  61 -16.752 -13.671  -1.261
  505    HA   ALA  61           HA       ALA  61 -16.026 -13.017   1.350
  506   1HB   ALA  61          2HB       ALA  61 -14.143 -13.604  -0.989
  507   2HB   ALA  61          3HB       ALA  61 -13.665 -13.578   0.702
  508   3HB   ALA  61          1HB       ALA  61 -14.819 -14.802   0.152
  509    H    GLN  62           H        GLN  62 -15.565 -11.132  -1.533
  510    HA   GLN  62           HA       GLN  62 -13.570  -9.428  -0.348
  511   1HB   GLN  62          1HB       GLN  62 -13.295  -9.678  -2.577
  512   2HB   GLN  62          2HB       GLN  62 -15.003  -9.597  -2.944
  513   1HG   GLN  62          1HG       GLN  62 -13.594  -7.067  -2.116
  514   2HG   GLN  62          2HG       GLN  62 -13.367  -7.742  -3.712
  515   1HE2  GLN  62          2HE2      GLN  62 -17.069  -6.160  -2.859
  516   2HE2  GLN  62          1HE2      GLN  62 -15.908  -6.443  -1.561
  517    H    GLY  63           H        GLY  63 -16.800  -9.619   0.471
  518   1HA   GLY  63          1HA       GLY  63 -17.575  -6.848   0.444
  519   2HA   GLY  63          2HA       GLY  63 -18.325  -8.173   1.333
  520    H    LEU  64           H        LEU  64 -14.950  -7.770   2.075
  521    HA   LEU  64           HA       LEU  64 -15.631  -7.269   4.848
  522   1HB   LEU  64          1HB       LEU  64 -12.956  -7.470   3.445
  523   2HB   LEU  64          2HB       LEU  64 -13.209  -7.652   5.175
  524    HG   LEU  64           HG       LEU  64 -14.794  -9.541   3.444
  525   1HD1  LEU  64          2HD1      LEU  64 -11.761  -9.544   3.660
  526   2HD1  LEU  64          3HD1      LEU  64 -12.732 -10.950   3.138
  527   3HD1  LEU  64          1HD1      LEU  64 -12.701  -9.459   2.179
  528   1HD2  LEU  64          3HD2      LEU  64 -13.108  -9.874   5.931
  529   2HD2  LEU  64          1HD2      LEU  64 -14.875  -9.641   5.863
  530   3HD2  LEU  64          2HD2      LEU  64 -14.143 -11.102   5.161
  531    H    GLY  65           H        GLY  65 -16.357  -5.068   3.390
  532   1HA   GLY  65          1HA       GLY  65 -15.401  -3.048   2.383
  533   2HA   GLY  65          2HA       GLY  65 -16.137  -2.682   3.946
  534    H    SER  66           H        SER  66 -14.705  -2.385   5.810
  535    HA   SER  66           HA       SER  66 -12.697  -0.549   5.271
  536   1HB   SER  66          1HB       SER  66 -13.933  -1.969   7.625
  537   2HB   SER  66          2HB       SER  66 -12.298  -1.463   7.854
  538    HG   SER  66           HG       SER  66 -13.876   0.183   8.367
  539    H    ASN  67           H        ASN  67 -12.482  -4.030   5.991
  540    HA   ASN  67           HA       ASN  67  -9.603  -3.871   6.643
  541   1HB   ASN  67          1HB       ASN  67 -11.652  -6.126   6.714
  542   2HB   ASN  67          2HB       ASN  67  -9.943  -6.309   7.108
  543   1HD2  ASN  67          2HD2      ASN  67 -10.579  -5.416  10.453
  544   2HD2  ASN  67          1HD2      ASN  67  -9.773  -6.482   9.314
  545    H    LEU  68           H        LEU  68 -11.769  -5.093   4.144
  546    HA   LEU  68           HA       LEU  68 -10.653  -6.943   2.781
  547   1HB   LEU  68          1HB       LEU  68 -12.544  -5.854   1.918
  548   2HB   LEU  68          2HB       LEU  68 -11.686  -4.347   1.609
  549    HG   LEU  68           HG       LEU  68 -10.319  -5.626  -0.155
  550   1HD1  LEU  68          2HD1      LEU  68 -12.578  -7.605   0.341
  551   2HD1  LEU  68          3HD1      LEU  68 -11.426  -7.687  -1.008
  552   3HD1  LEU  68          1HD1      LEU  68 -10.881  -7.905   0.665
  553   1HD2  LEU  68          1HD2      LEU  68 -13.291  -5.229  -0.539
  554   2HD2  LEU  68          2HD2      LEU  68 -12.027  -3.994  -0.693
  555   3HD2  LEU  68          3HD2      LEU  68 -12.056  -5.357  -1.819
  556    H    VAL  69           H        VAL  69  -8.736  -7.561   2.171
  557    HA   VAL  69           HA       VAL  69  -6.593  -5.741   1.390
  558    HB   VAL  69           HB       VAL  69  -6.909  -8.741   1.065
  559   1HG1  VAL  69          2HG1      VAL  69  -5.434  -7.890  -0.726
  560   2HG1  VAL  69          3HG1      VAL  69  -4.457  -7.032   0.491
  561   3HG1  VAL  69          1HG1      VAL  69  -4.553  -8.811   0.485
  562   1HG2  VAL  69          3HG2      VAL  69  -5.436  -6.914   3.017
  563   2HG2  VAL  69          1HG2      VAL  69  -6.619  -8.169   3.386
  564   3HG2  VAL  69          2HG2      VAL  69  -4.985  -8.586   2.828
  565    H    THR  70           H        THR  70  -6.433  -4.699  -0.452
  566    HA   THR  70           HA       THR  70  -8.109  -5.468  -2.794
  567    HB   THR  70           HB       THR  70  -7.667  -3.124  -3.427
  568    HG1  THR  70          1HG       THR  70  -5.747  -2.983  -2.011
  569   1HG2  THR  70          3HG2      THR  70  -9.732  -3.712  -2.192
  570   2HG2  THR  70          1HG2      THR  70  -8.912  -3.393  -0.652
  571   3HG2  THR  70          2HG2      THR  70  -9.188  -2.068  -1.802
  572    H    GLU  71           H        GLU  71  -7.077  -5.418  -4.940
  573    HA   GLU  71           HA       GLU  71  -4.525  -6.647  -4.910
  574   1HB   GLU  71          1HB       GLU  71  -4.627  -6.784  -7.236
  575   2HB   GLU  71          2HB       GLU  71  -6.247  -7.050  -6.626
  576   1HG   GLU  71          1HG       GLU  71  -6.874  -5.629  -8.172
  577   2HG   GLU  71          2HG       GLU  71  -6.382  -4.358  -7.047
  578    H    VAL  72           H        VAL  72  -5.338  -3.277  -5.643
  579    HA   VAL  72           HA       VAL  72  -2.812  -2.323  -6.204
  580    HB   VAL  72           HB       VAL  72  -4.833  -0.951  -6.257
  581   1HG1  VAL  72          1HG1      VAL  72  -5.961  -1.712  -4.189
  582   2HG1  VAL  72          2HG1      VAL  72  -4.728  -0.898  -3.200
  583   3HG1  VAL  72          3HG1      VAL  72  -5.812   0.047  -4.231
  584   1HG2  VAL  72          2HG2      VAL  72  -2.576   0.137  -6.069
  585   2HG2  VAL  72          3HG2      VAL  72  -3.922   1.125  -5.461
  586   3HG2  VAL  72          1HG2      VAL  72  -2.842   0.311  -4.322
  587    H    ARG  73           H        ARG  73  -3.895  -3.570  -3.082
  588    HA   ARG  73           HA       ARG  73  -1.744  -2.264  -1.624
  589   1HB   ARG  73          1HB       ARG  73  -4.080  -3.375  -0.763
  590   2HB   ARG  73          2HB       ARG  73  -2.983  -4.708  -0.456
  591   1HG   ARG  73          1HG       ARG  73  -2.851  -3.436   1.517
  592   2HG   ARG  73          2HG       ARG  73  -1.381  -2.993   0.667
  593   1HD   ARG  73          1HD       ARG  73  -3.859  -1.376   0.111
  594   2HD   ARG  73          2HD       ARG  73  -3.172  -1.203   1.716
  595    HE   ARG  73           HE       ARG  73  -1.030  -0.816  -0.047
  596   1HH1  ARG  73          2HH2      ARG  73  -4.229   0.654   0.256
  597   2HH1  ARG  73          1HH2      ARG  73  -3.622   2.104   1.004
  598   1HH2  ARG  73          2HH1      ARG  73  -0.278   1.450  -0.259
  599   2HH2  ARG  73          1HH1      ARG  73  -1.263   2.691   0.428
  600    H    VAL  74           H        VAL  74  -2.451  -5.408  -3.120
  601    HA   VAL  74           HA       VAL  74  -0.119  -6.728  -2.146
  602    HB   VAL  74           HB       VAL  74  -1.850  -7.239  -4.605
  603   1HG1  VAL  74          2HG1      VAL  74   0.432  -8.772  -3.287
  604   2HG1  VAL  74          3HG1      VAL  74  -0.759  -9.573  -4.329
  605   3HG1  VAL  74          1HG1      VAL  74   0.284  -8.308  -4.975
  606   1HG2  VAL  74          3HG2      VAL  74  -2.960  -7.469  -2.304
  607   2HG2  VAL  74          1HG2      VAL  74  -2.933  -8.910  -3.333
  608   3HG2  VAL  74          2HG2      VAL  74  -1.761  -8.760  -2.027
  609    H    TYR  75           H        TYR  75  -0.971  -4.994  -5.184
  610    HA   TYR  75           HA       TYR  75   1.501  -4.858  -6.468
  611   1HB   TYR  75          1HB       TYR  75  -0.817  -3.808  -7.165
  612   2HB   TYR  75          2HB       TYR  75  -0.316  -2.427  -6.226
  613    HD1  TYR  75          1HD       TYR  75   2.150  -1.489  -6.726
  614    HD2  TYR  75          2HD       TYR  75  -0.358  -3.638  -9.497
  615    HE1  TYR  75          1HE       TYR  75   3.586  -0.775  -8.573
  616    HE2  TYR  75          2HE       TYR  75   1.015  -2.794 -11.376
  617    HH   TYR  75           HH       TYR  75   2.817  -1.376 -12.004
  618    H    ASN  76           H        ASN  76   0.243  -2.639  -3.938
  619    HA   ASN  76           HA       ASN  76   2.545  -1.029  -3.778
  620   1HB   ASN  76          1HB       ASN  76   0.337  -1.650  -1.811
  621   2HB   ASN  76          2HB       ASN  76   1.788  -0.862  -1.220
  622   1HD2  ASN  76          2HD2      ASN  76  -0.165   1.328  -4.119
  623   2HD2  ASN  76          1HD2      ASN  76  -0.111  -0.411  -4.281
  624    H    TRP  77           H        TRP  77   1.838  -4.020  -1.852
  625    HA   TRP  77           HA       TRP  77   4.228  -3.693  -0.304
  626   1HB   TRP  77          1HB       TRP  77   3.383  -5.306   0.942
  627   2HB   TRP  77          2HB       TRP  77   1.991  -5.352  -0.123
  628    HD1  TRP  77           HD       TRP  77   1.843  -7.319  -1.819
  629    HE1  TRP  77          1HE       TRP  77   3.017  -9.570  -2.110
  630    HE3  TRP  77          3HE       TRP  77   5.689  -6.666   1.519
  631    HZ2  TRP  77          2HZ       TRP  77   5.083 -11.020  -0.800
  632    HZ3  TRP  77          3HZ       TRP  77   6.918  -8.666   2.288
  633    HH2  TRP  77           HH       TRP  77   6.757 -10.803   1.051
  634    H    PHE  78           H        PHE  78   3.484  -5.863  -3.107
  635    HA   PHE  78           HA       PHE  78   6.107  -6.944  -3.222
  636   1HB   PHE  78          1HB       PHE  78   3.946  -6.614  -5.339
  637   2HB   PHE  78          2HB       PHE  78   5.487  -7.407  -5.656
  638    HD1  PHE  78          2HD       PHE  78   6.188  -9.177  -3.670
  639    HD2  PHE  78          1HD       PHE  78   2.361  -8.327  -5.411
  640    HE1  PHE  78          2HE       PHE  78   5.483 -11.506  -3.297
  641    HE2  PHE  78          1HE       PHE  78   1.726 -10.700  -5.150
  642    HZ   PHE  78           HZ       PHE  78   3.303 -12.289  -4.047
  643    H    ALA  79           H        ALA  79   4.632  -4.187  -4.944
  644    HA   ALA  79           HA       ALA  79   6.877  -3.523  -6.546
  645   1HB   ALA  79          3HB       ALA  79   4.672  -2.516  -6.920
  646   2HB   ALA  79          1HB       ALA  79   4.792  -1.636  -5.373
  647   3HB   ALA  79          2HB       ALA  79   5.921  -1.283  -6.691
  648    H    ASN  80           H        ASN  80   5.950  -2.554  -3.180
  649    HA   ASN  80           HA       ASN  80   8.227  -0.876  -2.788
  650   1HB   ASN  80          1HB       ASN  80   6.397  -2.278  -0.847
  651   2HB   ASN  80          2HB       ASN  80   7.921  -1.584  -0.307
  652   1HD2  ASN  80          2HD2      ASN  80   4.880   0.958  -1.005
  653   2HD2  ASN  80          1HD2      ASN  80   4.712  -0.795  -1.218
  654    H    ARG  81           H        ARG  81   7.808  -4.418  -2.182
  655    HA   ARG  81           HA       ARG  81  10.439  -4.759  -1.186
  656   1HB   ARG  81          1HB       ARG  81   8.538  -6.676  -2.592
  657   2HB   ARG  81          2HB       ARG  81  10.114  -7.192  -1.991
  658   1HG   ARG  81          1HG       ARG  81   8.102  -5.820  -0.171
  659   2HG   ARG  81          2HG       ARG  81   8.071  -7.571  -0.459
  660   1HD   ARG  81          1HD       ARG  81  10.272  -7.893   0.445
  661   2HD   ARG  81          2HD       ARG  81  10.599  -6.161   0.381
  662    HE   ARG  81           HE       ARG  81   8.444  -7.030   2.178
  663   1HH1  ARG  81          2HH2      ARG  81  11.866  -6.077   1.838
  664   2HH1  ARG  81          1HH2      ARG  81  11.915  -5.183   3.209
  665   1HH2  ARG  81          2HH1      ARG  81   8.696  -6.292   4.400
  666   2HH2  ARG  81          1HH1      ARG  81  10.253  -5.704   4.917
  667    H    ARG  82           H        ARG  82   9.345  -5.311  -4.621
  668    HA   ARG  82           HA       ARG  82  12.125  -5.640  -5.382
  669   1HB   ARG  82          1HB       ARG  82  11.455  -5.605  -7.634
  670   2HB   ARG  82          2HB       ARG  82  10.443  -6.711  -6.712
  671   1HG   ARG  82          1HG       ARG  82   8.532  -5.373  -6.902
  672   2HG   ARG  82          2HG       ARG  82   9.458  -3.886  -7.120
  673   1HD   ARG  82          1HD       ARG  82  10.265  -4.975  -9.395
  674   2HD   ARG  82          2HD       ARG  82   8.972  -6.124  -9.120
  675    HE   ARG  82           HE       ARG  82   7.503  -4.532  -9.919
  676   1HH1  ARG  82          2HH2      ARG  82  10.393  -2.906  -8.796
  677   2HH1  ARG  82          1HH2      ARG  82  10.078  -1.453  -9.695
  678   1HH2  ARG  82          2HH1      ARG  82   6.881  -2.633 -10.740
  679   2HH2  ARG  82          1HH1      ARG  82   7.741  -1.114 -10.440
  680    H    LYS  83           H        LYS  83  10.289  -2.793  -4.640
  681    HA   LYS  83           HA       LYS  83  12.155  -1.043  -6.061
  682   1HB   LYS  83          1HB       LYS  83   9.987  -0.501  -4.030
  683   2HB   LYS  83          2HB       LYS  83  11.092   0.735  -4.578
  684   1HG   LYS  83          1HG       LYS  83   9.578  -0.886  -6.651
  685   2HG   LYS  83          2HG       LYS  83   8.704   0.348  -5.744
  686   1HD   LYS  83          1HD       LYS  83  11.175   0.793  -7.484
  687   2HD   LYS  83          2HD       LYS  83   9.506   1.222  -7.870
  688   1HE   LYS  83          1HE       LYS  83   9.878   2.474  -5.381
  689   2HE   LYS  83          2HE       LYS  83  11.482   2.610  -6.123
  690   1HZ   LYS  83          2HZ       LYS  83  10.272   3.591  -8.057
  691   2HZ   LYS  83          3HZ       LYS  83   8.908   3.602  -7.137
  692   3HZ   LYS  83          1HZ       LYS  83  10.251   4.462  -6.665
  693    H    GLU  84           H        GLU  84  11.915  -2.502  -2.848
  694    HA   GLU  84           HA       GLU  84  14.007  -1.124  -1.540
  695   1HB   GLU  84          1HB       GLU  84  12.350  -3.274  -1.062
  696   2HB   GLU  84          2HB       GLU  84  13.873  -4.117  -1.323
  697   1HG   GLU  84          1HG       GLU  84  14.803  -2.939   0.625
  698   2HG   GLU  84          2HG       GLU  84  13.346  -1.924   0.735
  699    H    GLU  85           H        GLU  85  13.909  -3.730  -3.875
  700    HA   GLU  85           HA       GLU  85  16.732  -4.258  -4.167
  701   1HB   GLU  85          1HB       GLU  85  15.093  -5.937  -4.681
  702   2HB   GLU  85          2HB       GLU  85  14.228  -4.867  -5.750
  703   1HG   GLU  85          1HG       GLU  85  16.205  -4.957  -7.341
  704   2HG   GLU  85          2HG       GLU  85  16.792  -6.301  -6.340
  705    H    ALA  86           H        ALA  86  14.457  -2.798  -6.533
  706    HA   ALA  86           HA       ALA  86  16.348  -1.752  -8.253
  707   1HB   ALA  86          2HB       ALA  86  13.927  -1.932  -8.732
  708   2HB   ALA  86          3HB       ALA  86  13.633  -0.522  -7.683
  709   3HB   ALA  86          1HB       ALA  86  14.596  -0.343  -9.159
  710    H    PHE  87           H        PHE  87  15.243  -0.377  -5.242
  711    HA   PHE  87           HA       PHE  87  16.251   2.297  -5.493
  712   1HB   PHE  87          1HB       PHE  87  14.588   1.767  -3.814
  713   2HB   PHE  87          2HB       PHE  87  15.587   0.519  -3.093
  714    HD1  PHE  87          1HD       PHE  87  15.001   4.124  -3.414
  715    HD2  PHE  87          2HD       PHE  87  17.254   1.025  -1.434
  716    HE1  PHE  87          1HE       PHE  87  15.918   5.771  -1.843
  717    HE2  PHE  87          2HE       PHE  87  18.046   2.667   0.237
  718    HZ   PHE  87           HZ       PHE  87  17.409   5.058   0.028
  719    H    ARG  88           H        ARG  88  17.603  -0.353  -3.442
  720    HA   ARG  88           HA       ARG  88  20.098   0.935  -3.177
  721   1HB   ARG  88          1HB       ARG  88  18.963  -1.070  -1.926
  722   2HB   ARG  88          2HB       ARG  88  19.753  -2.109  -3.094
  723   1HG   ARG  88          1HG       ARG  88  21.320  -0.099  -1.396
  724   2HG   ARG  88          2HG       ARG  88  20.729  -1.605  -0.708
  725   1HD   ARG  88          1HD       ARG  88  22.989  -1.974  -1.301
  726   2HD   ARG  88          2HD       ARG  88  21.963  -2.926  -2.396
  727    HE   ARG  88           HE       ARG  88  22.503  -0.364  -3.553
  728   1HH1  ARG  88          2HH2      ARG  88  24.273  -3.322  -2.852
  729   2HH1  ARG  88          1HH2      ARG  88  25.229  -3.275  -4.298
  730   1HH2  ARG  88          2HH1      ARG  88  23.547  -0.308  -5.452
  731   2HH2  ARG  88          1HH1      ARG  88  24.876  -1.372  -5.836
  732    H    HIS  89           H        HIS  89  18.941  -1.238  -5.688
  733    HA   HIS  89           HA       HIS  89  21.447  -1.904  -6.868
  734   1HB   HIS  89          1HB       HIS  89  19.408  -3.202  -7.237
  735   2HB   HIS  89          2HB       HIS  89  18.576  -1.768  -7.844
  736    HD1  HIS  89          1HD       HIS  89  21.663  -1.676  -9.731
  737    HD2  HIS  89          2HD       HIS  89  17.984  -3.715  -9.770
  738    HE1  HIS  89          1HE       HIS  89  21.272  -2.431 -12.136
  739    H    LYS  90           H        LYS  90  19.286   0.950  -7.193
  740    HA   LYS  90           HA       LYS  90  21.102   2.013  -9.320
  741   1HB   LYS  90          1HB       LYS  90  19.113   0.805 -10.323
  742   2HB   LYS  90          2HB       LYS  90  18.065   1.912  -9.452
  743   1HG   LYS  90          1HG       LYS  90  18.214   2.613 -11.675
  744   2HG   LYS  90          2HG       LYS  90  19.023   3.840 -10.713
  745   1HD   LYS  90          1HD       LYS  90  21.222   3.026 -11.376
  746   2HD   LYS  90          2HD       LYS  90  20.529   1.619 -12.198
  747   1HE   LYS  90          1HE       LYS  90  20.018   4.550 -12.955
  748   2HE   LYS  90          2HE       LYS  90  21.216   3.516 -13.736
  749   1HZ   LYS  90          1HZ       LYS  90  18.282   3.031 -13.777
  750   2HZ   LYS  90          2HZ       LYS  90  19.176   3.623 -14.985
  751   3HZ   LYS  90          3HZ       LYS  90  19.418   2.091 -14.493
  752    H    LEU  91           H        LEU  91  21.622   2.781  -6.955
  753    HA   LEU  91           HA       LEU  91  20.942   5.469  -6.756
  754   1HB   LEU  91          1HB       LEU  91  18.826   4.141  -5.798
  755   2HB   LEU  91          2HB       LEU  91  19.896   3.694  -4.485
  756    HG   LEU  91           HG       LEU  91  20.182   6.308  -4.210
  757   1HD1  LEU  91          2HD1      LEU  91  19.120   6.695  -6.551
  758   2HD1  LEU  91          3HD1      LEU  91  17.599   6.135  -5.859
  759   3HD1  LEU  91          1HD1      LEU  91  18.391   7.615  -5.232
  760   1HD2  LEU  91          2HD2      LEU  91  18.940   4.782  -2.727
  761   2HD2  LEU  91          3HD2      LEU  91  18.121   6.342  -2.903
  762   3HD2  LEU  91          1HD2      LEU  91  17.555   4.921  -3.834
  763    H    ALA  92           H        ALA  92  21.421   4.932  -3.693
  764    HA   ALA  92           HA       ALA  92  23.001   4.337  -2.228
  765   1HB   ALA  92          2HB       ALA  92  22.999   2.115  -3.369
  766   2HB   ALA  92          3HB       ALA  92  24.361   2.656  -4.380
  767   3HB   ALA  92          1HB       ALA  92  24.553   2.546  -2.633
  768    H    MET  93           H        MET  93  23.144   6.642  -2.758
  769    HA   MET  93           HA       MET  93  24.530   8.116  -1.825
  770   1HB   MET  93          1HB       MET  93  26.409   6.422  -1.714
  771   2HB   MET  93          2HB       MET  93  26.958   7.025  -3.292
  772   1HG   MET  93          1HG       MET  93  27.459   9.182  -2.355
  773   2HG   MET  93          2HG       MET  93  26.614   8.789  -0.846
  774   1HE   MET  93          1HE       MET  93  28.677   9.752   0.473
  775   2HE   MET  93          2HE       MET  93  30.350   9.201   0.219
  776   3HE   MET  93          3HE       MET  93  29.509  10.100  -1.066
  777    H    ASP  94           H        ASP  94  23.168   7.896  -4.569
  778    HA   ASP  94           HA       ASP  94  24.147  10.478  -5.638
  779   1HB   ASP  94          1HB       ASP  94  22.428  10.321  -7.271
  780   2HB   ASP  94          2HB       ASP  94  23.288   8.775  -7.248
  781    H    THR  95           H        THR  95  21.157   9.060  -4.160
  782    HA   THR  95           HA       THR  95  20.948  11.245  -2.263
  783    HB   THR  95           HB       THR  95  18.500  11.158  -3.977
  784    HG1  THR  95          1HG       THR  95  20.875  12.396  -4.839
  785   1HG2  THR  95          3HG2      THR  95  20.116  13.440  -2.757
  786   2HG2  THR  95          1HG2      THR  95  18.576  13.605  -3.610
  787   3HG2  THR  95          2HG2      THR  95  18.627  12.734  -2.078
  788    H    TYR  96           H        TYR  96  18.696  11.040  -1.124
  789    HA   TYR  96           HA       TYR  96  17.921   8.223  -0.659
  790   1HB   TYR  96          1HB       TYR  96  17.939   9.920   1.088
  791   2HB   TYR  96          2HB       TYR  96  16.651  10.837   0.305
  792    HD1  TYR  96          1HD       TYR  96  17.708   7.741   2.082
  793    HD2  TYR  96          2HD       TYR  96  14.354  10.146   0.821
  794    HE1  TYR  96          1HE       TYR  96  16.278   6.601   3.725
  795    HE2  TYR  96          2HE       TYR  96  12.933   9.019   2.508
  796    HH   TYR  96           HH       TYR  96  14.230   6.510   4.702
  797    H    LYS  97           H        LYS  97  15.517   7.842  -0.970
  798    HA   LYS  97           HA       LYS  97  14.341   9.163  -3.232
  799   1HB   LYS  97          1HB       LYS  97  16.519   7.530  -3.903
  800   2HB   LYS  97          2HB       LYS  97  15.151   6.558  -4.383
  801   1HG   LYS  97          1HG       LYS  97  15.836   9.405  -5.274
  802   2HG   LYS  97          2HG       LYS  97  15.970   7.935  -6.230
  803   1HD   LYS  97          1HD       LYS  97  13.513   7.573  -6.033
  804   2HD   LYS  97          2HD       LYS  97  13.378   9.123  -5.151
  805   1HE   LYS  97          1HE       LYS  97  14.384  10.247  -7.178
  806   2HE   LYS  97          2HE       LYS  97  14.151   8.718  -8.044
  807   1HZ   LYS  97          1HZ       LYS  97  11.746   8.941  -7.233
  808   2HZ   LYS  97          2HZ       LYS  97  12.082  10.506  -6.936
  809   3HZ   LYS  97          3HZ       LYS  97  12.255   9.951  -8.460
  810    H    LEU  98           H        LEU  98  13.342   7.800  -0.739
  811    HA   LEU  98           HA       LEU  98  11.002   6.765  -1.878
  812   1HB   LEU  98          1HB       LEU  98  13.046   5.003  -1.525
  813   2HB   LEU  98          2HB       LEU  98  12.515   5.048   0.140
  814    HG   LEU  98           HG       LEU  98  11.721   3.117  -1.067
  815   1HD1  LEU  98          2HD1      LEU  98  10.256   4.028   0.724
  816   2HD1  LEU  98          3HD1      LEU  98   9.389   5.011  -0.479
  817   3HD1  LEU  98          1HD1      LEU  98   9.309   3.241  -0.547
  818   1HD2  LEU  98          2HD2      LEU  98  11.657   4.058  -3.321
  819   2HD2  LEU  98          3HD2      LEU  98  10.171   3.187  -2.905
  820   3HD2  LEU  98          1HD2      LEU  98  10.167   4.958  -2.921
  821    H    ASN  99           H        ASN  99  11.098   9.073  -0.780
  822    HA   ASN  99           HA       ASN  99  10.705   9.129   2.094
  823   1HB   ASN  99          2HB       ASN  99  10.256  11.379   1.878
  824   2HB   ASN  99          3HB       ASN  99  11.404  11.121   0.574
  825   1HD2  ASN  99          2HD2      ASN  99   8.989  11.882  -1.994
  826   2HD2  ASN  99          1HD2      ASN  99  10.453  10.965  -1.662
   
  No H/Q in entry =         826
  Start of MODEL    8
    1   1H    MET   0          2H        MET   0  14.383  18.423  -3.211
    2   2H    MET   0          3H        MET   0  15.287  17.780  -2.018
    3   3H    MET   0          1H        MET   0  15.867  17.746  -3.571
    4    HA   MET   0           HA       MET   0  14.159  16.339  -4.272
    5   1HB   MET   0          2HB       MET   0  16.302  15.424  -3.250
    6   2HB   MET   0          3HB       MET   0  15.449  15.158  -1.742
    7   1HG   MET   0          2HG       MET   0  15.726  13.178  -3.204
    8   2HG   MET   0          3HG       MET   0  14.035  13.500  -2.828
    9   1HE   MET   0          1HE       MET   0  13.649  11.630  -4.620
   10   2HE   MET   0          2HE       MET   0  14.033  11.828  -6.348
   11   3HE   MET   0          3HE       MET   0  15.345  11.593  -5.171
   12    H    ALA   1           H        ALA   1  13.973  16.046  -0.688
   13    HA   ALA   1           HA       ALA   1  12.216  15.839   0.714
   14   1HB   ALA   1          1HB       ALA   1  12.554  18.275   0.415
   15   2HB   ALA   1          2HB       ALA   1  11.323  18.283  -0.864
   16   3HB   ALA   1          3HB       ALA   1  10.870  17.890   0.804
   17    H    ARG   2           H        ARG   2  11.681  13.814  -0.831
   18    HA   ARG   2           HA       ARG   2   9.191  13.989  -2.353
   19   1HB   ARG   2          1HB       ARG   2  11.109  11.851  -1.515
   20   2HB   ARG   2          2HB       ARG   2   9.459  11.341  -1.826
   21   1HG   ARG   2          1HG       ARG   2  11.061  11.202  -3.736
   22   2HG   ARG   2          2HG       ARG   2   9.479  11.892  -4.056
   23   1HD   ARG   2          1HD       ARG   2  11.876  13.673  -3.466
   24   2HD   ARG   2          2HD       ARG   2  11.691  12.967  -5.067
   25    HE   ARG   2           HE       ARG   2  10.275  15.233  -4.048
   26   1HH1  ARG   2          2HH2      ARG   2   9.959  12.446  -6.228
   27   2HH1  ARG   2          1HH2      ARG   2   8.687  13.155  -7.175
   28   1HH2  ARG   2          2HH1      ARG   2   8.592  16.100  -5.122
   29   2HH2  ARG   2          1HH1      ARG   2   7.899  15.401  -6.577
   30    H    ILE   3           H        ILE   3   7.758  15.072  -0.994
   31    HA   ILE   3           HA       ILE   3   6.737  13.842   1.393
   32    HB   ILE   3           HB       ILE   3   4.900  15.263   1.258
   33   1HG1  ILE   3          1HG1      ILE   3   4.208  15.189  -1.076
   34   2HG1  ILE   3          2HG1      ILE   3   4.340  16.816  -0.457
   35   1HG2  ILE   3          2HG2      ILE   3   6.889  16.263   2.094
   36   2HG2  ILE   3          3HG2      ILE   3   7.415  16.763   0.470
   37   3HG2  ILE   3          1HG2      ILE   3   5.975  17.479   1.198
   38   1HD1  ILE   3          2HD1      ILE   3   6.522  17.115  -1.614
   39   2HD1  ILE   3          3HD1      ILE   3   6.318  15.510  -2.361
   40   3HD1  ILE   3          1HD1      ILE   3   5.150  16.795  -2.682
   41    H    ASP   4           H        ASP   4   5.889  13.573  -2.003
   42    HA   ASP   4           HA       ASP   4   4.632  12.233  -3.249
   43   1HB   ASP   4          1HB       ASP   4   5.763  10.338  -2.175
   44   2HB   ASP   4          2HB       ASP   4   4.535  10.310  -0.898
   45    HA   PRO   5           HA       PRO   5   0.593  13.637  -1.542
   46   1HB   PRO   5          1HB       PRO   5  -0.863  13.806  -3.829
   47   2HB   PRO   5          2HB       PRO   5   0.422  14.973  -3.430
   48   1HG   PRO   5          1HG       PRO   5   0.670  12.534  -5.216
   49   2HG   PRO   5          2HG       PRO   5   1.141  14.215  -5.590
   50   1HD   PRO   5          1HD       PRO   5   2.912  12.344  -4.662
   51   2HD   PRO   5          2HD       PRO   5   3.055  14.061  -4.190
   52    H    THR   6           H        THR   6   1.117  11.306  -0.734
   53    HA   THR   6           HA       THR   6   0.741   9.095  -0.476
   54    HB   THR   6           HB       THR   6  -1.615   8.712   0.257
   55    HG1  THR   6          1HG       THR   6  -3.110  10.269   0.010
   56   1HG2  THR   6          1HG2      THR   6  -0.447  11.363   1.177
   57   2HG2  THR   6          2HG2      THR   6  -1.670  10.412   2.028
   58   3HG2  THR   6          3HG2      THR   6  -0.048   9.758   1.825
   59    H    LYS   7           H        LYS   7   1.201   9.361  -3.248
   60    HA   LYS   7           HA       LYS   7  -1.141   8.645  -4.696
   61   1HB   LYS   7          1HB       LYS   7   0.103   8.627  -6.620
   62   2HB   LYS   7          2HB       LYS   7   0.790   9.904  -5.620
   63   1HG   LYS   7          1HG       LYS   7   2.778   8.453  -5.164
   64   2HG   LYS   7          2HG       LYS   7   2.029   7.162  -6.111
   65   1HD   LYS   7          1HD       LYS   7   3.434   8.068  -7.664
   66   2HD   LYS   7          2HD       LYS   7   1.867   8.746  -8.065
   67   1HE   LYS   7          1HE       LYS   7   2.871  10.772  -8.065
   68   2HE   LYS   7          2HE       LYS   7   2.880  10.669  -6.305
   69   1HZ   LYS   7          1HZ       LYS   7   5.083   9.704  -8.044
   70   2HZ   LYS   7          2HZ       LYS   7   5.059  11.143  -7.243
   71   3HZ   LYS   7          3HZ       LYS   7   5.070   9.722  -6.410
   72    H    LYS   8           H        LYS   8   1.720   6.702  -3.935
   73    HA   LYS   8           HA       LYS   8   0.355   4.279  -4.931
   74   1HB   LYS   8          1HB       LYS   8   2.535   3.204  -4.682
   75   2HB   LYS   8          2HB       LYS   8   2.517   4.612  -5.737
   76   1HG   LYS   8          1HG       LYS   8   3.517   5.961  -3.752
   77   2HG   LYS   8          2HG       LYS   8   3.745   4.386  -2.974
   78   1HD   LYS   8          1HD       LYS   8   4.958   3.654  -5.111
   79   2HD   LYS   8          2HD       LYS   8   4.779   5.310  -5.702
   80   1HE   LYS   8          1HE       LYS   8   6.936   5.363  -4.871
   81   2HE   LYS   8          2HE       LYS   8   6.027   6.019  -3.502
   82   1HZ   LYS   8          2HZ       LYS   8   6.117   3.761  -2.539
   83   2HZ   LYS   8          3HZ       LYS   8   6.997   3.241  -3.843
   84   3HZ   LYS   8          1HZ       LYS   8   7.602   4.370  -2.808
   85    H    GLY   9           H        GLY   9  -1.127   5.046  -3.003
   86   1HA   GLY   9          1HA       GLY   9  -1.880   3.151  -1.430
   87   2HA   GLY   9          2HA       GLY   9  -0.375   3.501  -0.557
   88    H    ARG  10           H        ARG  10  -3.337   5.032  -1.763
   89    HA   ARG  10           HA       ARG  10  -3.279   7.174   0.234
   90   1HB   ARG  10          1HB       ARG  10  -5.579   7.613  -0.538
   91   2HB   ARG  10          2HB       ARG  10  -4.374   7.686  -1.817
   92   1HG   ARG  10          1HG       ARG  10  -5.642   5.001  -1.549
   93   2HG   ARG  10          2HG       ARG  10  -6.775   6.285  -1.915
   94   1HD   ARG  10          1HD       ARG  10  -4.225   5.850  -3.540
   95   2HD   ARG  10          2HD       ARG  10  -5.778   5.045  -3.853
   96    HE   ARG  10           HE       ARG  10  -6.188   7.890  -3.702
   97   1HH1  ARG  10          2HH2      ARG  10  -4.937   5.296  -5.817
   98   2HH1  ARG  10          1HH2      ARG  10  -5.491   6.037  -7.266
   99   1HH2  ARG  10          2HH1      ARG  10  -6.898   8.859  -5.543
  100   2HH2  ARG  10          1HH1      ARG  10  -6.621   8.154  -7.140
  101    H    ARG  11           H        ARG  11  -4.709   3.907  -0.050
  102    HA   ARG  11           HA       ARG  11  -6.379   4.282   2.153
  103   1HB   ARG  11          1HB       ARG  11  -6.205   2.373   0.157
  104   2HB   ARG  11          2HB       ARG  11  -5.632   1.485   1.560
  105   1HG   ARG  11          1HG       ARG  11  -7.908   1.103   1.677
  106   2HG   ARG  11          2HG       ARG  11  -7.791   2.505   2.728
  107   1HD   ARG  11          1HD       ARG  11  -8.779   2.273  -0.140
  108   2HD   ARG  11          2HD       ARG  11  -9.689   2.861   1.237
  109    HE   ARG  11           HE       ARG  11  -8.172   4.334  -0.654
  110   1HH1  ARG  11          2HH2      ARG  11  -8.745   4.447   2.856
  111   2HH1  ARG  11          1HH2      ARG  11  -9.163   6.137   2.845
  112   1HH2  ARG  11          2HH1      ARG  11  -8.662   6.714  -0.557
  113   2HH2  ARG  11          1HH1      ARG  11  -8.886   7.363   1.041
  114    H    ASN  12           H        ASN  12  -6.198   3.256   4.239
  115    HA   ASN  12           HA       ASN  12  -3.488   2.570   5.236
  116   1HB   ASN  12          1HB       ASN  12  -3.332   4.976   4.849
  117   2HB   ASN  12          2HB       ASN  12  -4.805   5.251   5.790
  118   1HD2  ASN  12          2HD2      ASN  12  -3.004   5.458   8.795
  119   2HD2  ASN  12          1HD2      ASN  12  -4.356   5.994   7.821
  120    H    ARG  13           H        ARG  13  -6.929   3.090   5.985
  121    HA   ARG  13           HA       ARG  13  -6.691   2.325   8.737
  122   1HB   ARG  13          1HB       ARG  13  -9.038   1.906   8.670
  123   2HB   ARG  13          2HB       ARG  13  -8.633   3.429   7.888
  124   1HG   ARG  13          1HG       ARG  13 -10.118   2.786   6.370
  125   2HG   ARG  13          2HG       ARG  13  -8.806   1.863   5.659
  126   1HD   ARG  13          1HD       ARG  13  -9.576  -0.198   6.734
  127   2HD   ARG  13          2HD       ARG  13 -10.685   0.659   7.780
  128    HE   ARG  13           HE       ARG  13 -11.174  -0.304   5.137
  129   1HH1  ARG  13          2HH2      ARG  13 -11.995   2.325   7.325
  130   2HH1  ARG  13          1HH2      ARG  13 -13.632   2.505   6.779
  131   1HH2  ARG  13          2HH1      ARG  13 -13.330  -0.189   4.451
  132   2HH2  ARG  13          1HH1      ARG  13 -14.387   1.096   4.960
  133    H    PHE  14           H        PHE  14  -7.176   0.547   5.807
  134    HA   PHE  14           HA       PHE  14  -7.247  -2.150   6.830
  135   1HB   PHE  14          1HB       PHE  14  -8.131  -1.733   4.665
  136   2HB   PHE  14          2HB       PHE  14  -6.695  -0.824   4.180
  137    HD1  PHE  14          1HD       PHE  14  -6.229  -4.239   5.658
  138    HD2  PHE  14          2HD       PHE  14  -7.183  -2.160   2.073
  139    HE1  PHE  14          1HE       PHE  14  -4.893  -5.884   4.373
  140    HE2  PHE  14          2HE       PHE  14  -6.149  -3.984   0.806
  141    HZ   PHE  14           HZ       PHE  14  -4.566  -5.530   1.895
  142    H    LYS  15           H        LYS  15  -5.610  -2.968   7.966
  143    HA   LYS  15           HA       LYS  15  -2.786  -2.636   7.044
  144   1HB   LYS  15          1HB       LYS  15  -2.106  -3.401   9.224
  145   2HB   LYS  15          2HB       LYS  15  -3.087  -1.961   9.399
  146   1HG   LYS  15          1HG       LYS  15  -4.824  -4.324   9.561
  147   2HG   LYS  15          2HG       LYS  15  -3.410  -4.568  10.576
  148   1HD   LYS  15          1HD       LYS  15  -3.926  -2.315  11.655
  149   2HD   LYS  15          2HD       LYS  15  -5.351  -2.197  10.617
  150   1HE   LYS  15          1HE       LYS  15  -6.244  -3.051  12.576
  151   2HE   LYS  15          2HE       LYS  15  -6.022  -4.538  11.648
  152   1HZ   LYS  15          2HZ       LYS  15  -3.883  -4.809  12.929
  153   2HZ   LYS  15          3HZ       LYS  15  -4.312  -3.479  13.803
  154   3HZ   LYS  15          1HZ       LYS  15  -5.236  -4.835  13.852
  155    H    TRP  16           H        TRP  16  -1.666  -4.727   6.761
  156    HA   TRP  16           HA       TRP  16  -3.430  -6.876   5.846
  157   1HB   TRP  16          1HB       TRP  16  -0.431  -6.659   6.163
  158   2HB   TRP  16          2HB       TRP  16  -1.262  -8.062   5.517
  159    HD1  TRP  16           HD       TRP  16  -0.488  -4.414   4.653
  160    HE1  TRP  16          1HE       TRP  16  -0.663  -4.074   2.136
  161    HE3  TRP  16          3HE       TRP  16  -2.511  -8.967   3.331
  162    HZ2  TRP  16          2HZ       TRP  16  -1.473  -5.593  -0.145
  163    HZ3  TRP  16          3HZ       TRP  16  -2.937  -9.475   0.957
  164    HH2  TRP  16           HH       TRP  16  -2.464  -7.788  -0.790
  165    H    GLY  17           H        GLY  17  -4.463  -8.152   7.232
  166   1HA   GLY  17          1HA       GLY  17  -3.865  -8.376  10.038
  167   2HA   GLY  17          2HA       GLY  17  -5.039  -9.310   9.087
  168    HA   PRO  18           HA       PRO  18  -1.389 -11.901  10.372
  169   1HB   PRO  18          1HB       PRO  18  -2.797 -14.068  11.460
  170   2HB   PRO  18          2HB       PRO  18  -2.270 -12.630  12.375
  171   1HG   PRO  18          1HG       PRO  18  -4.977 -13.226  11.184
  172   2HG   PRO  18          2HG       PRO  18  -4.605 -12.502  12.767
  173   1HD   PRO  18          1HD       PRO  18  -5.356 -11.008  10.605
  174   2HD   PRO  18          2HD       PRO  18  -4.177 -10.390  11.801
  175    H    ALA  19           H        ALA  19  -4.255 -13.550   9.249
  176    HA   ALA  19           HA       ALA  19  -2.921 -15.580   7.774
  177   1HB   ALA  19          3HB       ALA  19  -5.657 -14.350   7.197
  178   2HB   ALA  19          1HB       ALA  19  -5.014 -15.835   6.464
  179   3HB   ALA  19          2HB       ALA  19  -5.303 -15.776   8.208
  180    H    SER  20           H        SER  20  -4.313 -12.554   6.600
  181    HA   SER  20           HA       SER  20  -3.345 -12.085   4.101
  182   1HB   SER  20          1HB       SER  20  -3.673 -10.511   6.621
  183   2HB   SER  20          2HB       SER  20  -2.775  -9.720   5.342
  184    HG   SER  20           HG       SER  20  -5.273 -10.961   4.834
  185    H    GLN  21           H        GLN  21  -1.250 -11.660   7.076
  186    HA   GLN  21           HA       GLN  21   1.070 -10.912   5.544
  187   1HB   GLN  21          1HB       GLN  21   0.700 -11.953   8.377
  188   2HB   GLN  21          2HB       GLN  21   2.284 -11.611   7.694
  189   1HG   GLN  21          1HG       GLN  21   1.871  -9.339   7.437
  190   2HG   GLN  21          2HG       GLN  21   0.130  -9.491   7.573
  191   1HE2  GLN  21          2HE2      GLN  21   0.103  -9.303  11.110
  192   2HE2  GLN  21          1HE2      GLN  21  -0.789  -9.504   9.589
  193    H    GLN  22           H        GLN  22  -0.185 -14.073   6.698
  194    HA   GLN  22           HA       GLN  22   2.119 -15.533   5.830
  195   1HB   GLN  22          1HB       GLN  22   0.429 -16.509   7.347
  196   2HB   GLN  22          2HB       GLN  22  -0.754 -16.547   6.032
  197   1HG   GLN  22          1HG       GLN  22   0.302 -18.750   6.347
  198   2HG   GLN  22          2HG       GLN  22   0.638 -18.097   4.744
  199   1HE2  GLN  22          2HE2      GLN  22   3.714 -18.198   7.538
  200   2HE2  GLN  22          1HE2      GLN  22   2.030 -18.262   8.060
  201    H    ILE  23           H        ILE  23  -0.987 -14.731   4.169
  202    HA   ILE  23           HA       ILE  23  -0.422 -15.999   1.740
  203    HB   ILE  23           HB       ILE  23  -1.716 -13.280   1.689
  204   1HG1  ILE  23          1HG1      ILE  23  -2.934 -14.333   3.468
  205   2HG1  ILE  23          2HG1      ILE  23  -3.869 -14.274   1.997
  206   1HG2  ILE  23          1HG2      ILE  23  -2.044 -15.861   0.084
  207   2HG2  ILE  23          2HG2      ILE  23  -2.966 -14.365  -0.158
  208   3HG2  ILE  23          3HG2      ILE  23  -1.208 -14.404  -0.432
  209   1HD1  ILE  23          3HD1      ILE  23  -2.449 -16.758   3.007
  210   2HD1  ILE  23          1HD1      ILE  23  -4.181 -16.389   3.190
  211   3HD1  ILE  23          2HD1      ILE  23  -3.510 -16.651   1.576
  212    H    LEU  24           H        LEU  24   0.434 -12.647   2.762
  213    HA   LEU  24           HA       LEU  24   1.777 -12.046   0.347
  214   1HB   LEU  24          1HB       LEU  24   2.137 -10.973   3.190
  215   2HB   LEU  24          2HB       LEU  24   3.052 -10.350   1.814
  216    HG   LEU  24           HG       LEU  24   0.016 -10.267   2.124
  217   1HD1  LEU  24          2HD1      LEU  24   2.222  -8.166   2.087
  218   2HD1  LEU  24          3HD1      LEU  24   0.508  -7.792   1.933
  219   3HD1  LEU  24          1HD1      LEU  24   1.104  -8.554   3.419
  220   1HD2  LEU  24          3HD2      LEU  24   1.813  -9.936  -0.241
  221   2HD2  LEU  24          1HD2      LEU  24   0.172 -10.555  -0.174
  222   3HD2  LEU  24          2HD2      LEU  24   0.453  -8.807  -0.099
  223    H    PHE  25           H        PHE  25   3.045 -13.754   3.187
  224    HA   PHE  25           HA       PHE  25   5.768 -13.696   2.178
  225   1HB   PHE  25          1HB       PHE  25   4.370 -15.396   4.258
  226   2HB   PHE  25          2HB       PHE  25   5.993 -15.729   3.684
  227    HD1  PHE  25          2HD       PHE  25   4.713 -12.197   4.147
  228    HD2  PHE  25          1HD       PHE  25   7.107 -15.422   5.761
  229    HE1  PHE  25          2HE       PHE  25   5.722 -10.644   5.763
  230    HE2  PHE  25          1HE       PHE  25   8.151 -13.834   7.338
  231    HZ   PHE  25           HZ       PHE  25   7.427 -11.442   7.372
  232    H    GLN  26           H        GLN  26   3.155 -16.229   2.028
  233    HA   GLN  26           HA       GLN  26   4.750 -17.927   0.407
  234   1HB   GLN  26          1HB       GLN  26   2.877 -19.203  -0.140
  235   2HB   GLN  26          2HB       GLN  26   2.867 -18.816   1.582
  236   1HG   GLN  26          1HG       GLN  26   0.963 -17.707   1.484
  237   2HG   GLN  26          2HG       GLN  26   1.381 -16.896  -0.044
  238   1HE2  GLN  26          2HE2      GLN  26  -1.416 -19.492  -0.532
  239   2HE2  GLN  26          1HE2      GLN  26  -1.035 -18.828   1.048
  240    H    ALA  27           H        ALA  27   2.783 -15.103  -0.480
  241    HA   ALA  27           HA       ALA  27   2.778 -15.488  -3.287
  242   1HB   ALA  27          3HB       ALA  27   1.454 -13.841  -1.945
  243   2HB   ALA  27          1HB       ALA  27   2.896 -12.841  -1.747
  244   3HB   ALA  27          2HB       ALA  27   2.258 -13.119  -3.367
  245    H    TYR  28           H        TYR  28   4.904 -13.588  -1.155
  246    HA   TYR  28           HA       TYR  28   6.812 -12.698  -3.015
  247   1HB   TYR  28          1HB       TYR  28   6.379 -12.156  -0.510
  248   2HB   TYR  28          2HB       TYR  28   7.415 -13.519  -0.141
  249    HD1  TYR  28          2HD       TYR  28   7.227 -10.169  -1.782
  250    HD2  TYR  28          1HD       TYR  28   9.774 -13.124   0.014
  251    HE1  TYR  28          2HE       TYR  28   9.185  -8.739  -2.247
  252    HE2  TYR  28          1HE       TYR  28  11.677 -11.544  -0.142
  253    HH   TYR  28           HH       TYR  28  12.306  -9.359  -0.728
  254    H    GLU  29           H        GLU  29   6.554 -15.742  -1.259
  255    HA   GLU  29           HA       GLU  29   9.034 -16.851  -2.090
  256   1HB   GLU  29          1HB       GLU  29   7.383 -17.450  -0.199
  257   2HB   GLU  29          2HB       GLU  29   6.522 -18.433  -1.381
  258   1HG   GLU  29          1HG       GLU  29   8.227 -20.009  -1.471
  259   2HG   GLU  29          2HG       GLU  29   9.493 -18.839  -1.080
  260    H    ARG  30           H        ARG  30   5.675 -17.346  -3.315
  261    HA   ARG  30           HA       ARG  30   6.630 -19.181  -5.253
  262   1HB   ARG  30          1HB       ARG  30   3.850 -17.994  -4.857
  263   2HB   ARG  30          2HB       ARG  30   4.258 -19.246  -6.049
  264   1HG   ARG  30          1HG       ARG  30   5.281 -20.583  -4.104
  265   2HG   ARG  30          2HG       ARG  30   4.471 -19.485  -3.009
  266   1HD   ARG  30          1HD       ARG  30   3.161 -21.286  -5.086
  267   2HD   ARG  30          2HD       ARG  30   3.290 -21.597  -3.370
  268    HE   ARG  30           HE       ARG  30   1.859 -19.662  -2.880
  269   1HH1  ARG  30          2HH2      ARG  30   1.566 -20.860  -6.229
  270   2HH1  ARG  30          1HH2      ARG  30  -0.166 -20.775  -6.195
  271   1HH2  ARG  30          2HH1      ARG  30  -0.422 -19.689  -2.831
  272   2HH2  ARG  30          1HH1      ARG  30  -1.331 -20.114  -4.194
  273    H    GLN  31           H        GLN  31   5.668 -15.731  -5.546
  274    HA   GLN  31           HA       GLN  31   7.513 -15.695  -7.835
  275   1HB   GLN  31          1HB       GLN  31   4.766 -14.374  -7.927
  276   2HB   GLN  31          2HB       GLN  31   6.154 -13.862  -8.900
  277   1HG   GLN  31          1HG       GLN  31   6.359 -16.264  -9.721
  278   2HG   GLN  31          2HG       GLN  31   4.753 -16.548  -9.031
  279   1HE2  GLN  31          2HE2      GLN  31   3.090 -14.658 -11.598
  280   2HE2  GLN  31          1HE2      GLN  31   2.926 -15.409 -10.025
  281    H    LYS  32           H        LYS  32   9.051 -14.311  -7.493
  282    HA   LYS  32           HA       LYS  32   8.906 -12.521  -5.161
  283   1HB   LYS  32          1HB       LYS  32  10.762 -14.298  -5.784
  284   2HB   LYS  32          2HB       LYS  32  11.254 -13.153  -7.007
  285   1HG   LYS  32          1HG       LYS  32  12.713 -12.876  -5.137
  286   2HG   LYS  32          2HG       LYS  32  11.703 -11.450  -5.285
  287   1HD   LYS  32          1HD       LYS  32  11.802 -11.821  -3.019
  288   2HD   LYS  32          2HD       LYS  32  10.220 -12.479  -3.407
  289   1HE   LYS  32          1HE       LYS  32  12.831 -13.985  -2.888
  290   2HE   LYS  32          2HE       LYS  32  11.443 -13.893  -1.804
  291   1HZ   LYS  32          3HZ       LYS  32  10.187 -15.082  -3.604
  292   2HZ   LYS  32          1HZ       LYS  32  11.673 -15.355  -4.323
  293   3HZ   LYS  32          2HZ       LYS  32  11.365 -15.957  -2.850
  294    H    ASN  33           H        ASN  33   8.307 -12.317  -8.501
  295    HA   ASN  33           HA       ASN  33   8.753  -9.406  -8.454
  296   1HB   ASN  33          1HB       ASN  33   9.221  -9.389 -10.710
  297   2HB   ASN  33          2HB       ASN  33  10.292 -10.627 -10.057
  298   1HD2  ASN  33          2HD2      ASN  33   8.484 -13.266 -11.826
  299   2HD2  ASN  33          1HD2      ASN  33   9.195 -13.041 -10.229
  300    HA   PRO  34           HA       PRO  34   4.421  -9.878  -8.522
  301   1HB   PRO  34          1HB       PRO  34   3.539  -7.299  -8.734
  302   2HB   PRO  34          2HB       PRO  34   4.355  -7.965  -7.303
  303   1HG   PRO  34          1HG       PRO  34   5.627  -6.385  -9.548
  304   2HG   PRO  34          2HG       PRO  34   5.788  -6.076  -7.806
  305   1HD   PRO  34          1HD       PRO  34   7.659  -7.491  -9.178
  306   2HD   PRO  34          2HD       PRO  34   7.170  -8.005  -7.531
  307    H    SER  35           H        SER  35   4.253 -11.084 -10.437
  308    HA   SER  35           HA       SER  35   4.253  -9.977 -13.067
  309   1HB   SER  35          1HB       SER  35   4.813 -12.270 -12.748
  310   2HB   SER  35          2HB       SER  35   3.297 -12.587 -11.914
  311    HG   SER  35           HG       SER  35   2.668 -13.193 -13.802
  312    H    LYS  36           H        LYS  36   1.289 -11.769 -12.403
  313    HA   LYS  36           HA       LYS  36  -0.348  -9.393 -12.303
  314   1HB   LYS  36          1HB       LYS  36   0.410  -9.300 -14.688
  315   2HB   LYS  36          2HB       LYS  36  -0.157 -10.962 -14.903
  316   1HG   LYS  36          1HG       LYS  36  -1.735  -9.414 -15.879
  317   2HG   LYS  36          2HG       LYS  36  -2.484 -10.250 -14.544
  318   1HD   LYS  36          1HD       LYS  36  -1.505  -7.896 -13.305
  319   2HD   LYS  36          2HD       LYS  36  -1.823  -7.373 -14.949
  320   1HE   LYS  36          1HE       LYS  36  -3.858  -6.988 -13.776
  321   2HE   LYS  36          2HE       LYS  36  -4.144  -8.450 -14.733
  322   1HZ   LYS  36          1HZ       LYS  36  -3.449  -9.583 -12.443
  323   2HZ   LYS  36          2HZ       LYS  36  -3.929  -8.114 -11.844
  324   3HZ   LYS  36          3HZ       LYS  36  -4.942  -8.997 -12.688
  325    H    GLU  37           H        GLU  37  -0.262 -12.880 -13.142
  326    HA   GLU  37           HA       GLU  37  -3.055 -13.304 -12.334
  327   1HB   GLU  37          1HB       GLU  37  -1.833 -14.688 -14.068
  328   2HB   GLU  37          2HB       GLU  37  -0.696 -15.145 -12.805
  329   1HG   GLU  37          1HG       GLU  37  -2.774 -16.115 -11.583
  330   2HG   GLU  37          2HG       GLU  37  -3.475 -16.107 -13.216
  331    H    GLU  38           H        GLU  38   0.241 -13.739 -11.161
  332    HA   GLU  38           HA       GLU  38   0.302 -14.512  -8.571
  333   1HB   GLU  38          1HB       GLU  38   2.278 -13.704  -9.044
  334   2HB   GLU  38          2HB       GLU  38   1.712 -12.519 -10.212
  335   1HG   GLU  38          1HG       GLU  38   1.529 -11.983  -7.241
  336   2HG   GLU  38          2HG       GLU  38   3.063 -11.882  -8.086
  337    H    ARG  39           H        ARG  39  -0.411 -11.105  -9.255
  338    HA   ARG  39           HA       ARG  39  -1.086 -10.877  -6.647
  339   1HB   ARG  39          1HB       ARG  39  -2.037  -8.540  -7.260
  340   2HB   ARG  39          2HB       ARG  39  -0.395  -8.881  -7.814
  341   1HG   ARG  39          1HG       ARG  39  -1.460  -9.621 -10.051
  342   2HG   ARG  39          2HG       ARG  39  -2.956  -8.910  -9.437
  343   1HD   ARG  39          1HD       ARG  39  -1.927  -7.271 -10.742
  344   2HD   ARG  39          2HD       ARG  39  -1.575  -6.785  -9.066
  345    HE   ARG  39           HE       ARG  39   0.590  -8.427  -9.997
  346   1HH1  ARG  39          2HH2      ARG  39  -1.017  -5.327 -10.609
  347   2HH1  ARG  39          1HH2      ARG  39   0.362  -4.607 -11.424
  348   1HH2  ARG  39          2HH1      ARG  39   2.450  -7.386 -11.231
  349   2HH2  ARG  39          1HH1      ARG  39   2.267  -5.715 -11.714
  350    H    GLU  40           H        GLU  40  -3.342 -11.165  -9.310
  351    HA   GLU  40           HA       GLU  40  -5.754 -10.804  -7.960
  352   1HB   GLU  40          1HB       GLU  40  -4.874 -11.864 -10.493
  353   2HB   GLU  40          2HB       GLU  40  -6.170 -12.847  -9.824
  354   1HG   GLU  40          1HG       GLU  40  -7.371 -11.306 -11.014
  355   2HG   GLU  40          2HG       GLU  40  -7.434 -10.583  -9.411
  356    H    THR  41           H        THR  41  -3.563 -13.615  -8.191
  357    HA   THR  41           HA       THR  41  -5.195 -15.530  -7.003
  358    HB   THR  41           HB       THR  41  -2.346 -15.276  -7.782
  359    HG1  THR  41          1HG       THR  41  -4.389 -17.195  -7.929
  360   1HG2  THR  41          3HG2      THR  41  -3.118 -17.222  -5.600
  361   2HG2  THR  41          1HG2      THR  41  -1.628 -17.278  -6.594
  362   3HG2  THR  41          2HG2      THR  41  -1.909 -15.935  -5.505
  363    H    LEU  42           H        LEU  42  -2.624 -13.360  -5.371
  364    HA   LEU  42           HA       LEU  42  -3.464 -14.395  -2.917
  365   1HB   LEU  42          1HB       LEU  42  -2.508 -11.650  -2.682
  366   2HB   LEU  42          2HB       LEU  42  -2.241 -13.167  -1.893
  367    HG   LEU  42           HG       LEU  42  -0.294 -12.771  -2.428
  368   1HD1  LEU  42          1HD1      LEU  42  -1.032 -14.937  -3.498
  369   2HD1  LEU  42          2HD1      LEU  42  -0.817 -14.126  -5.064
  370   3HD1  LEU  42          3HD1      LEU  42   0.551 -14.351  -4.021
  371   1HD2  LEU  42          3HD2      LEU  42  -1.304 -11.243  -4.630
  372   2HD2  LEU  42          1HD2      LEU  42  -0.179 -10.802  -3.332
  373   3HD2  LEU  42          2HD2      LEU  42   0.424 -11.746  -4.721
  374    H    VAL  43           H        VAL  43  -4.664 -11.647  -4.787
  375    HA   VAL  43           HA       VAL  43  -6.275 -10.666  -2.687
  376    HB   VAL  43           HB       VAL  43  -7.582 -10.704  -5.402
  377   1HG1  VAL  43          1HG1      VAL  43  -8.649  -9.838  -3.256
  378   2HG1  VAL  43          2HG1      VAL  43  -7.337  -8.675  -3.131
  379   3HG1  VAL  43          3HG1      VAL  43  -8.466  -8.586  -4.495
  380   1HG2  VAL  43          2HG2      VAL  43  -5.316  -8.863  -4.497
  381   2HG2  VAL  43          3HG2      VAL  43  -5.376  -9.871  -5.961
  382   3HG2  VAL  43          1HG2      VAL  43  -6.479  -8.526  -5.813
  383    H    GLU  44           H        GLU  44  -7.082 -13.314  -4.962
  384    HA   GLU  44           HA       GLU  44  -9.537 -14.148  -3.783
  385   1HB   GLU  44          1HB       GLU  44  -8.994 -14.930  -5.922
  386   2HB   GLU  44          2HB       GLU  44  -7.371 -15.424  -5.442
  387   1HG   GLU  44          1HG       GLU  44  -8.737 -17.328  -5.935
  388   2HG   GLU  44          2HG       GLU  44  -8.222 -17.352  -4.251
  389    H    GLU  45           H        GLU  45  -6.357 -15.740  -3.342
  390    HA   GLU  45           HA       GLU  45  -6.866 -17.460  -1.289
  391   1HB   GLU  45          1HB       GLU  45  -4.560 -16.186  -2.432
  392   2HB   GLU  45          2HB       GLU  45  -4.313 -16.277  -0.699
  393   1HG   GLU  45          1HG       GLU  45  -4.593 -18.711  -0.782
  394   2HG   GLU  45          2HG       GLU  45  -4.994 -18.621  -2.507
  395    H    CYS  46           H        CYS  46  -6.049 -14.058  -0.961
  396    HA   CYS  46           HA       CYS  46  -5.979 -13.938   1.915
  397   1HB   CYS  46          1HB       CYS  46  -4.837 -12.177   0.398
  398   2HB   CYS  46          2HB       CYS  46  -6.423 -11.724  -0.132
  399    HG   CYS  46           HG       CYS  46  -7.396 -11.122   2.241
  400    H    ASN  47           H        ASN  47  -8.308 -12.715  -0.526
  401    HA   ASN  47           HA       ASN  47 -10.357 -11.707   1.089
  402   1HB   ASN  47          1HB       ASN  47 -10.405 -13.158  -1.609
  403   2HB   ASN  47          2HB       ASN  47 -11.896 -12.772  -0.800
  404   1HD2  ASN  47          2HD2      ASN  47 -11.303  -9.147  -1.118
  405   2HD2  ASN  47          1HD2      ASN  47 -11.707 -10.264   0.184
  406    H    ARG  48           H        ARG  48  -9.991 -15.027  -0.167
  407    HA   ARG  48           HA       ARG  48 -12.268 -16.073   1.100
  408   1HB   ARG  48          1HB       ARG  48 -10.850 -16.967  -0.817
  409   2HB   ARG  48          2HB       ARG  48  -9.750 -17.646   0.385
  410   1HG   ARG  48          1HG       ARG  48 -11.619 -18.954   1.356
  411   2HG   ARG  48          2HG       ARG  48 -12.759 -18.210   0.222
  412   1HD   ARG  48          1HD       ARG  48 -10.387 -19.960  -0.567
  413   2HD   ARG  48          2HD       ARG  48 -12.089 -20.475  -0.456
  414    HE   ARG  48           HE       ARG  48 -11.341 -18.196  -2.279
  415   1HH1  ARG  48          2HH2      ARG  48 -11.864 -21.645  -2.121
  416   2HH1  ARG  48          1HH2      ARG  48 -12.406 -21.792  -3.769
  417   1HH2  ARG  48          2HH1      ARG  48 -12.025 -18.319  -4.418
  418   2HH2  ARG  48          1HH1      ARG  48 -12.469 -19.805  -5.141
  419    H    ALA  49           H        ALA  49  -8.791 -16.282   2.096
  420    HA   ALA  49           HA       ALA  49  -9.190 -17.551   4.566
  421   1HB   ALA  49          2HB       ALA  49  -6.971 -17.124   3.583
  422   2HB   ALA  49          3HB       ALA  49  -7.155 -15.384   3.888
  423   3HB   ALA  49          1HB       ALA  49  -7.069 -16.523   5.248
  424    H    GLU  50           H        GLU  50  -9.476 -14.069   3.777
  425    HA   GLU  50           HA       GLU  50  -9.672 -13.319   6.573
  426   1HB   GLU  50          1HB       GLU  50  -8.533 -11.955   4.926
  427   2HB   GLU  50          2HB       GLU  50 -10.022 -11.737   4.011
  428   1HG   GLU  50          1HG       GLU  50  -9.328  -9.771   5.338
  429   2HG   GLU  50          2HG       GLU  50 -10.932 -10.334   5.783
  430    H    CYS  51           H        CYS  51 -11.928 -14.095   3.936
  431    HA   CYS  51           HA       CYS  51 -14.253 -13.258   5.443
  432   1HB   CYS  51          1HB       CYS  51 -15.569 -13.987   3.843
  433   2HB   CYS  51          2HB       CYS  51 -14.087 -13.962   2.858
  434    HG   CYS  51           HG       CYS  51 -15.706 -16.385   4.431
  435    H    ILE  52           H        ILE  52 -12.343 -16.315   5.189
  436    HA   ILE  52           HA       ILE  52 -14.140 -17.831   6.815
  437    HB   ILE  52           HB       ILE  52 -11.220 -18.189   6.061
  438   1HG1  ILE  52          1HG1      ILE  52 -13.710 -19.760   5.246
  439   2HG1  ILE  52          2HG1      ILE  52 -13.112 -18.381   4.331
  440   1HG2  ILE  52          2HG2      ILE  52 -13.001 -20.125   7.606
  441   2HG2  ILE  52          3HG2      ILE  52 -11.405 -20.515   6.929
  442   3HG2  ILE  52          1HG2      ILE  52 -11.532 -19.333   8.221
  443   1HD1  ILE  52          2HD1      ILE  52 -10.923 -19.533   4.013
  444   2HD1  ILE  52          3HD1      ILE  52 -11.612 -20.985   4.781
  445   3HD1  ILE  52          1HD1      ILE  52 -12.306 -20.369   3.279
  446    H    GLN  53           H        GLN  53 -11.506 -15.654   7.539
  447    HA   GLN  53           HA       GLN  53 -11.336 -16.203  10.373
  448   1HB   GLN  53          1HB       GLN  53 -10.643 -13.778   8.706
  449   2HB   GLN  53          2HB       GLN  53 -10.362 -13.821  10.453
  450   1HG   GLN  53          1HG       GLN  53  -8.928 -15.810  10.204
  451   2HG   GLN  53          2HG       GLN  53  -9.045 -15.668   8.451
  452   1HE2  GLN  53          2HE2      GLN  53  -7.420 -12.169   8.999
  453   2HE2  GLN  53          1HE2      GLN  53  -9.076 -12.536   8.704
  454    H    ARG  54           H        ARG  54 -14.183 -15.399   9.015
  455    HA   ARG  54           HA       ARG  54 -15.166 -14.481  11.601
  456   1HB   ARG  54          1HB       ARG  54 -15.067 -12.689   9.214
  457   2HB   ARG  54          2HB       ARG  54 -16.616 -12.738  10.041
  458   1HG   ARG  54          1HG       ARG  54 -15.825 -11.990  12.096
  459   2HG   ARG  54          2HG       ARG  54 -14.156 -12.301  11.752
  460   1HD   ARG  54          1HD       ARG  54 -15.852 -10.012  10.879
  461   2HD   ARG  54          2HD       ARG  54 -14.254  -9.991  11.621
  462    HE   ARG  54           HE       ARG  54 -14.840  -9.761   8.913
  463   1HH1  ARG  54          2HH2      ARG  54 -12.587 -12.091  10.593
  464   2HH1  ARG  54          1HH2      ARG  54 -11.375 -11.741   9.369
  465   1HH2  ARG  54          2HH1      ARG  54 -13.265  -9.809   7.264
  466   2HH2  ARG  54          1HH1      ARG  54 -11.806 -10.744   7.583
  467    H    GLY  55           H        GLY  55 -15.745 -15.356   8.278
  468   1HA   GLY  55          1HA       GLY  55 -17.169 -17.409   7.987
  469   2HA   GLY  55          2HA       GLY  55 -18.456 -16.434   8.744
  470    H    VAL  56           H        VAL  56 -18.674 -14.258   7.860
  471    HA   VAL  56           HA       VAL  56 -19.671 -13.040   6.230
  472    HB   VAL  56           HB       VAL  56 -16.809 -13.418   5.452
  473   1HG1  VAL  56          3HG1      VAL  56 -18.681 -11.595   3.877
  474   2HG1  VAL  56          1HG1      VAL  56 -16.915 -11.573   3.823
  475   3HG1  VAL  56          2HG1      VAL  56 -17.759 -12.995   3.256
  476   1HG2  VAL  56          1HG2      VAL  56 -17.428 -12.057   7.410
  477   2HG2  VAL  56          2HG2      VAL  56 -16.613 -11.113   6.149
  478   3HG2  VAL  56          3HG2      VAL  56 -18.373 -10.986   6.346
  479    H    SER  57           H        SER  57 -20.281 -12.807   3.823
  480    HA   SER  57           HA       SER  57 -21.470 -15.272   2.883
  481   1HB   SER  57          1HB       SER  57 -21.518 -12.461   2.250
  482   2HB   SER  57          2HB       SER  57 -21.278 -13.405   0.774
  483    HG   SER  57           HG       SER  57 -23.156 -14.632   1.415
  484    HA   PRO  58           HA       PRO  58 -17.259 -16.265   1.283
  485   1HB   PRO  58          1HB       PRO  58 -17.863 -18.462  -0.309
  486   2HB   PRO  58          2HB       PRO  58 -17.627 -18.514   1.460
  487   1HG   PRO  58          1HG       PRO  58 -20.244 -18.363  -0.050
  488   2HG   PRO  58          2HG       PRO  58 -19.827 -19.416   1.330
  489   1HD   PRO  58          1HD       PRO  58 -21.230 -17.129   1.675
  490   2HD   PRO  58          2HD       PRO  58 -19.987 -17.606   2.869
  491    H    SER  59           H        SER  59 -20.133 -16.228  -0.824
  492    HA   SER  59           HA       SER  59 -18.939 -15.592  -3.304
  493   1HB   SER  59          1HB       SER  59 -21.348 -14.523  -3.541
  494   2HB   SER  59          2HB       SER  59 -21.151 -16.275  -3.391
  495    HG   SER  59           HG       SER  59 -22.734 -15.481  -1.922
  496    H    GLN  60           H        GLN  60 -19.345 -13.657  -0.434
  497    HA   GLN  60           HA       GLN  60 -18.679 -11.158  -1.929
  498   1HB   GLN  60          1HB       GLN  60 -20.166 -11.370   0.711
  499   2HB   GLN  60          2HB       GLN  60 -19.813  -9.912  -0.210
  500   1HG   GLN  60          1HG       GLN  60 -21.256 -10.671  -2.052
  501   2HG   GLN  60          2HG       GLN  60 -21.673 -12.144  -1.173
  502   1HE2  GLN  60          2HE2      GLN  60 -23.997 -10.480   0.969
  503   2HE2  GLN  60          1HE2      GLN  60 -23.178 -11.997   0.688
  504    H    ALA  61           H        ALA  61 -16.739 -13.208  -1.077
  505    HA   ALA  61           HA       ALA  61 -15.499 -12.284   1.319
  506   1HB   ALA  61          1HB       ALA  61 -14.880 -14.412   0.246
  507   2HB   ALA  61          2HB       ALA  61 -14.101 -13.498  -1.079
  508   3HB   ALA  61          3HB       ALA  61 -13.505 -13.362   0.591
  509    H    GLN  62           H        GLN  62 -15.847 -10.652  -1.696
  510    HA   GLN  62           HA       GLN  62 -13.611  -8.836  -1.253
  511   1HB   GLN  62          1HB       GLN  62 -15.783  -9.107  -3.252
  512   2HB   GLN  62          2HB       GLN  62 -15.197  -7.473  -2.977
  513   1HG   GLN  62          1HG       GLN  62 -13.349  -9.807  -3.619
  514   2HG   GLN  62          2HG       GLN  62 -14.031  -8.712  -4.829
  515   1HE2  GLN  62          2HE2      GLN  62 -10.665  -7.545  -2.990
  516   2HE2  GLN  62          1HE2      GLN  62 -11.187  -9.202  -3.250
  517    H    GLY  63           H        GLY  63 -16.414  -9.313   0.529
  518   1HA   GLY  63          1HA       GLY  63 -17.256  -6.527   0.730
  519   2HA   GLY  63          2HA       GLY  63 -17.943  -7.948   1.507
  520    H    LEU  64           H        LEU  64 -14.520  -7.714   2.139
  521    HA   LEU  64           HA       LEU  64 -15.313  -7.667   4.916
  522   1HB   LEU  64          1HB       LEU  64 -12.500  -7.561   3.846
  523   2HB   LEU  64          2HB       LEU  64 -12.993  -8.042   5.457
  524    HG   LEU  64           HG       LEU  64 -13.084 -10.145   4.941
  525   1HD1  LEU  64          3HD1      LEU  64 -15.380  -9.891   4.113
  526   2HD1  LEU  64          1HD1      LEU  64 -14.742  -9.682   2.468
  527   3HD1  LEU  64          2HD1      LEU  64 -14.442 -11.191   3.330
  528   1HD2  LEU  64          3HD2      LEU  64 -11.169  -9.485   3.514
  529   2HD2  LEU  64          1HD2      LEU  64 -12.052 -10.856   2.804
  530   3HD2  LEU  64          2HD2      LEU  64 -12.270  -9.212   2.156
  531    H    GLY  65           H        GLY  65 -15.545  -5.081   3.414
  532   1HA   GLY  65          1HA       GLY  65 -15.258  -2.816   3.693
  533   2HA   GLY  65          2HA       GLY  65 -15.744  -3.314   5.311
  534    H    SER  66           H        SER  66 -13.778  -3.980   6.752
  535    HA   SER  66           HA       SER  66 -11.984  -1.676   6.904
  536   1HB   SER  66          1HB       SER  66 -13.049  -3.801   8.707
  537   2HB   SER  66          2HB       SER  66 -11.346  -3.467   8.893
  538    HG   SER  66           HG       SER  66 -12.716  -2.047  10.139
  539    H    ASN  67           H        ASN  67 -11.818  -5.249   6.656
  540    HA   ASN  67           HA       ASN  67  -8.915  -5.232   6.613
  541   1HB   ASN  67          1HB       ASN  67 -10.824  -7.551   6.103
  542   2HB   ASN  67          2HB       ASN  67  -9.113  -7.647   6.502
  543   1HD2  ASN  67          2HD2      ASN  67 -10.010  -8.107   9.894
  544   2HD2  ASN  67          1HD2      ASN  67  -9.048  -8.616   8.520
  545    H    LEU  68           H        LEU  68 -11.478  -5.349   4.271
  546    HA   LEU  68           HA       LEU  68 -10.928  -7.000   2.369
  547   1HB   LEU  68          1HB       LEU  68 -12.706  -5.414   2.162
  548   2HB   LEU  68          2HB       LEU  68 -11.578  -4.069   1.881
  549    HG   LEU  68           HG       LEU  68 -10.829  -5.219  -0.258
  550   1HD1  LEU  68          3HD1      LEU  68 -12.925  -7.235   0.650
  551   2HD1  LEU  68          1HD1      LEU  68 -12.416  -7.040  -1.040
  552   3HD1  LEU  68          2HD1      LEU  68 -11.252  -7.535   0.180
  553   1HD2  LEU  68          1HD2      LEU  68 -13.746  -4.552  -0.062
  554   2HD2  LEU  68          2HD2      LEU  68 -12.380  -3.464  -0.409
  555   3HD2  LEU  68          3HD2      LEU  68 -12.791  -4.744  -1.557
  556    H    VAL  69           H        VAL  69  -9.304  -7.598   1.118
  557    HA   VAL  69           HA       VAL  69  -7.033  -5.865   0.407
  558    HB   VAL  69           HB       VAL  69  -6.618  -8.194   1.043
  559   1HG1  VAL  69          2HG1      VAL  69  -8.571  -8.887  -1.130
  560   2HG1  VAL  69          3HG1      VAL  69  -7.243  -9.938  -0.722
  561   3HG1  VAL  69          1HG1      VAL  69  -8.418  -9.481   0.520
  562   1HG2  VAL  69          1HG2      VAL  69  -5.946  -7.562  -1.851
  563   2HG2  VAL  69          2HG2      VAL  69  -5.052  -7.067  -0.411
  564   3HG2  VAL  69          3HG2      VAL  69  -5.165  -8.784  -0.830
  565    H    THR  70           H        THR  70  -6.962  -4.706  -1.439
  566    HA   THR  70           HA       THR  70  -8.756  -5.368  -3.745
  567    HB   THR  70           HB       THR  70  -8.328  -3.011  -4.371
  568    HG1  THR  70          1HG       THR  70  -6.349  -2.941  -3.003
  569   1HG2  THR  70          1HG2      THR  70 -10.350  -3.574  -2.995
  570   2HG2  THR  70          2HG2      THR  70  -9.429  -3.228  -1.518
  571   3HG2  THR  70          3HG2      THR  70  -9.755  -1.930  -2.683
  572    H    GLU  71           H        GLU  71  -7.607  -5.595  -5.808
  573    HA   GLU  71           HA       GLU  71  -5.177  -6.766  -5.755
  574   1HB   GLU  71          1HB       GLU  71  -4.994  -6.420  -8.153
  575   2HB   GLU  71          2HB       GLU  71  -6.537  -7.049  -7.599
  576   1HG   GLU  71          1HG       GLU  71  -7.140  -5.526  -9.189
  577   2HG   GLU  71          2HG       GLU  71  -7.452  -4.661  -7.674
  578    H    VAL  72           H        VAL  72  -5.455  -3.227  -6.472
  579    HA   VAL  72           HA       VAL  72  -2.734  -2.940  -6.812
  580    HB   VAL  72           HB       VAL  72  -4.534  -1.101  -7.075
  581   1HG1  VAL  72          3HG1      VAL  72  -5.264  -1.015  -4.648
  582   2HG1  VAL  72          1HG1      VAL  72  -3.654  -0.404  -4.213
  583   3HG1  VAL  72          2HG1      VAL  72  -4.694   0.552  -5.256
  584   1HG2  VAL  72          1HG2      VAL  72  -2.121  -0.796  -7.576
  585   2HG2  VAL  72          2HG2      VAL  72  -2.872   0.675  -6.952
  586   3HG2  VAL  72          3HG2      VAL  72  -1.836  -0.297  -5.901
  587    H    ARG  73           H        ARG  73  -4.309  -3.536  -3.677
  588    HA   ARG  73           HA       ARG  73  -2.172  -2.443  -2.090
  589   1HB   ARG  73          1HB       ARG  73  -4.337  -4.502  -1.536
  590   2HB   ARG  73          2HB       ARG  73  -3.141  -4.025  -0.361
  591   1HG   ARG  73          1HG       ARG  73  -4.604  -1.813  -1.841
  592   2HG   ARG  73          2HG       ARG  73  -5.504  -2.657  -0.621
  593   1HD   ARG  73          1HD       ARG  73  -2.832  -1.268  -0.260
  594   2HD   ARG  73          2HD       ARG  73  -4.432  -0.710   0.334
  595    HE   ARG  73           HE       ARG  73  -3.787  -3.272   1.367
  596   1HH1  ARG  73          2HH2      ARG  73  -2.440  -0.028   1.594
  597   2HH1  ARG  73          1HH2      ARG  73  -2.172  -0.068   3.296
  598   1HH2  ARG  73          2HH1      ARG  73  -3.649  -3.304   3.671
  599   2HH2  ARG  73          1HH1      ARG  73  -3.137  -1.889   4.536
  600    H    VAL  74           H        VAL  74  -2.822  -5.630  -3.616
  601    HA   VAL  74           HA       VAL  74  -0.510  -6.961  -2.552
  602    HB   VAL  74           HB       VAL  74  -2.004  -7.288  -5.184
  603   1HG1  VAL  74          3HG1      VAL  74   0.414  -8.727  -4.058
  604   2HG1  VAL  74          1HG1      VAL  74  -0.635  -9.358  -5.336
  605   3HG1  VAL  74          2HG1      VAL  74   0.260  -7.906  -5.636
  606   1HG2  VAL  74          2HG2      VAL  74  -3.235  -7.984  -3.127
  607   2HG2  VAL  74          3HG2      VAL  74  -2.813  -9.346  -4.172
  608   3HG2  VAL  74          1HG2      VAL  74  -1.870  -9.045  -2.702
  609    H    TYR  75           H        TYR  75  -1.174  -5.106  -5.557
  610    HA   TYR  75           HA       TYR  75   1.488  -5.197  -6.387
  611   1HB   TYR  75          1HB       TYR  75  -0.689  -4.427  -7.698
  612   2HB   TYR  75          2HB       TYR  75  -0.328  -2.861  -7.021
  613    HD1  TYR  75          2HD       TYR  75   2.135  -5.433  -8.393
  614    HD2  TYR  75          1HD       TYR  75   0.282  -1.587  -8.871
  615    HE1  TYR  75          2HE       TYR  75   4.036  -4.700  -9.763
  616    HE2  TYR  75          1HE       TYR  75   2.184  -0.857 -10.303
  617    HH   TYR  75           HH       TYR  75   4.073  -1.701 -11.487
  618    H    ASN  76           H        ASN  76   0.042  -3.174  -4.027
  619    HA   ASN  76           HA       ASN  76   1.848  -0.968  -4.037
  620   1HB   ASN  76          1HB       ASN  76  -0.510  -0.976  -3.168
  621   2HB   ASN  76          2HB       ASN  76   0.034  -1.941  -1.781
  622   1HD2  ASN  76          2HD2      ASN  76   0.249   1.984  -1.721
  623   2HD2  ASN  76          1HD2      ASN  76  -0.858   1.022  -2.630
  624    H    TRP  77           H        TRP  77   1.383  -3.779  -1.823
  625    HA   TRP  77           HA       TRP  77   3.665  -3.074  -0.226
  626   1HB   TRP  77          1HB       TRP  77   3.225  -4.827   1.075
  627   2HB   TRP  77          2HB       TRP  77   1.666  -4.814   0.258
  628    HD1  TRP  77           HD       TRP  77   1.420  -6.609  -1.717
  629    HE1  TRP  77          1HE       TRP  77   2.601  -8.821  -2.309
  630    HE3  TRP  77          3HE       TRP  77   5.246  -6.393   1.663
  631    HZ2  TRP  77          2HZ       TRP  77   4.601 -10.497  -1.066
  632    HZ3  TRP  77          3HZ       TRP  77   6.205  -8.558   2.387
  633    HH2  TRP  77           HH       TRP  77   6.115 -10.522   0.928
  634    H    PHE  78           H        PHE  78   3.194  -5.331  -3.051
  635    HA   PHE  78           HA       PHE  78   5.924  -6.119  -3.096
  636   1HB   PHE  78          1HB       PHE  78   3.819  -6.000  -5.283
  637   2HB   PHE  78          2HB       PHE  78   5.473  -6.515  -5.584
  638    HD1  PHE  78          2HD       PHE  78   6.417  -8.268  -3.698
  639    HD2  PHE  78          1HD       PHE  78   2.519  -7.978  -5.475
  640    HE1  PHE  78          2HE       PHE  78   6.103 -10.694  -3.500
  641    HE2  PHE  78          1HE       PHE  78   2.229 -10.392  -5.222
  642    HZ   PHE  78           HZ       PHE  78   4.007 -11.768  -4.099
  643    H    ALA  79           H        ALA  79   4.300  -3.419  -4.838
  644    HA   ALA  79           HA       ALA  79   6.576  -2.471  -6.197
  645   1HB   ALA  79          2HB       ALA  79   4.178  -0.915  -5.150
  646   2HB   ALA  79          3HB       ALA  79   5.387  -0.287  -6.282
  647   3HB   ALA  79          1HB       ALA  79   4.367  -1.643  -6.769
  648    H    ASN  80           H        ASN  80   5.693  -2.152  -2.787
  649    HA   ASN  80           HA       ASN  80   8.019  -0.394  -2.297
  650   1HB   ASN  80          1HB       ASN  80   6.322  -0.188  -0.644
  651   2HB   ASN  80          2HB       ASN  80   6.223  -1.930  -0.386
  652   1HD2  ASN  80          2HD2      ASN  80   8.667  -1.691   2.174
  653   2HD2  ASN  80          1HD2      ASN  80   7.027  -2.159   1.808
  654    H    ARG  81           H        ARG  81   7.271  -3.650  -1.081
  655    HA   ARG  81           HA       ARG  81   9.617  -4.315  -0.122
  656   1HB   ARG  81          1HB       ARG  81   7.345  -5.579  -0.187
  657   2HB   ARG  81          2HB       ARG  81   7.940  -6.370  -1.643
  658   1HG   ARG  81          1HG       ARG  81   8.225  -7.751   0.352
  659   2HG   ARG  81          2HG       ARG  81   9.815  -7.330  -0.312
  660   1HD   ARG  81          1HD       ARG  81  10.266  -5.761   1.361
  661   2HD   ARG  81          2HD       ARG  81   8.568  -5.597   1.842
  662    HE   ARG  81           HE       ARG  81   9.389  -8.279   2.364
  663   1HH1  ARG  81          2HH2      ARG  81  10.233  -4.945   3.330
  664   2HH1  ARG  81          1HH2      ARG  81  10.301  -5.297   5.020
  665   1HH2  ARG  81          2HH1      ARG  81   9.732  -8.811   4.637
  666   2HH2  ARG  81          1HH1      ARG  81  10.242  -7.544   5.727
  667    H    ARG  82           H        ARG  82   8.768  -5.035  -3.531
  668    HA   ARG  82           HA       ARG  82  11.258  -6.342  -4.056
  669   1HB   ARG  82          1HB       ARG  82  10.497  -6.604  -6.225
  670   2HB   ARG  82          2HB       ARG  82   9.061  -6.635  -5.236
  671   1HG   ARG  82          1HG       ARG  82   8.279  -5.306  -6.884
  672   2HG   ARG  82          2HG       ARG  82   8.972  -4.001  -5.908
  673   1HD   ARG  82          1HD       ARG  82  10.942  -3.894  -7.302
  674   2HD   ARG  82          2HD       ARG  82  10.580  -5.465  -8.040
  675    HE   ARG  82           HE       ARG  82   8.417  -3.960  -8.790
  676   1HH1  ARG  82          2HH2      ARG  82  11.922  -4.085  -9.297
  677   2HH1  ARG  82          1HH2      ARG  82  11.935  -3.056 -10.680
  678   1HH2  ARG  82          2HH1      ARG  82   8.310  -3.057 -10.786
  679   2HH2  ARG  82          1HH1      ARG  82   9.700  -2.525 -11.688
  680    H    LYS  83           H        LYS  83  10.228  -2.985  -4.150
  681    HA   LYS  83           HA       LYS  83  12.703  -2.056  -5.371
  682   1HB   LYS  83          1HB       LYS  83  10.424  -0.895  -5.666
  683   2HB   LYS  83          2HB       LYS  83  10.532  -0.436  -3.968
  684   1HG   LYS  83          1HG       LYS  83  11.563   1.438  -4.649
  685   2HG   LYS  83          2HG       LYS  83  12.983   0.448  -4.899
  686   1HD   LYS  83          1HD       LYS  83  12.754   1.602  -6.888
  687   2HD   LYS  83          2HD       LYS  83  12.126  -0.008  -7.272
  688   1HE   LYS  83          1HE       LYS  83   9.802   0.822  -7.076
  689   2HE   LYS  83          2HE       LYS  83  10.379   2.386  -6.470
  690   1HZ   LYS  83          1HZ       LYS  83  10.929   1.368  -9.189
  691   2HZ   LYS  83          2HZ       LYS  83   9.754   2.440  -8.777
  692   3HZ   LYS  83          3HZ       LYS  83  11.327   2.853  -8.585
  693    H    GLU  84           H        GLU  84  11.372  -2.557  -2.139
  694    HA   GLU  84           HA       GLU  84  13.324  -1.194  -0.614
  695   1HB   GLU  84          1HB       GLU  84  11.137  -2.522   0.066
  696   2HB   GLU  84          2HB       GLU  84  12.229  -3.920   0.162
  697   1HG   GLU  84          1HG       GLU  84  13.637  -2.598   1.742
  698   2HG   GLU  84          2HG       GLU  84  12.352  -1.350   1.740
  699    H    GLU  85           H        GLU  85  13.233  -4.329  -2.267
  700    HA   GLU  85           HA       GLU  85  15.867  -5.201  -1.403
  701   1HB   GLU  85          1HB       GLU  85  14.094  -6.784  -2.176
  702   2HB   GLU  85          2HB       GLU  85  14.248  -6.119  -3.804
  703   1HG   GLU  85          1HG       GLU  85  16.736  -6.752  -3.710
  704   2HG   GLU  85          2HG       GLU  85  16.378  -7.575  -2.192
  705    H    ALA  86           H        ALA  86  14.627  -3.906  -4.560
  706    HA   ALA  86           HA       ALA  86  17.078  -3.765  -5.867
  707   1HB   ALA  86          1HB       ALA  86  14.874  -3.279  -6.934
  708   2HB   ALA  86          2HB       ALA  86  14.844  -1.706  -6.103
  709   3HB   ALA  86          3HB       ALA  86  16.102  -2.051  -7.297
  710    H    PHE  87           H        PHE  87  15.664  -1.421  -3.682
  711    HA   PHE  87           HA       PHE  87  17.525   0.693  -3.792
  712   1HB   PHE  87          1HB       PHE  87  15.313   0.872  -2.805
  713   2HB   PHE  87          2HB       PHE  87  15.730  -0.271  -1.549
  714    HD1  PHE  87          1HD       PHE  87  16.546   3.133  -2.915
  715    HD2  PHE  87          2HD       PHE  87  16.848   0.434   0.453
  716    HE1  PHE  87          1HE       PHE  87  17.244   5.002  -1.469
  717    HE2  PHE  87          2HE       PHE  87  17.615   2.302   1.862
  718    HZ   PHE  87           HZ       PHE  87  17.803   4.590   0.922
  719    H    ARG  88           H        ARG  88  17.166  -1.858  -1.305
  720    HA   ARG  88           HA       ARG  88  19.516  -1.520   0.087
  721   1HB   ARG  88          1HB       ARG  88  17.835  -2.983   0.961
  722   2HB   ARG  88          2HB       ARG  88  17.755  -3.896  -0.540
  723   1HG   ARG  88          1HG       ARG  88  18.704  -5.355   0.937
  724   2HG   ARG  88          2HG       ARG  88  20.032  -4.881  -0.079
  725   1HD   ARG  88          1HD       ARG  88  19.419  -4.198   2.791
  726   2HD   ARG  88          2HD       ARG  88  20.892  -4.909   2.089
  727    HE   ARG  88           HE       ARG  88  21.064  -2.477   1.016
  728   1HH1  ARG  88          2HH2      ARG  88  20.936  -3.763   4.290
  729   2HH1  ARG  88          1HH2      ARG  88  20.951  -2.202   5.072
  730   1HH2  ARG  88          2HH1      ARG  88  21.136  -0.223   2.219
  731   2HH2  ARG  88          1HH1      ARG  88  21.941  -0.393   3.720
  732    H    HIS  89           H        HIS  89  19.014  -3.287  -2.913
  733    HA   HIS  89           HA       HIS  89  21.277  -4.950  -2.851
  734   1HB   HIS  89          1HB       HIS  89  19.240  -5.415  -4.050
  735   2HB   HIS  89          2HB       HIS  89  19.481  -4.016  -5.100
  736    HD1  HIS  89          1HD       HIS  89  22.623  -4.777  -5.823
  737    HD2  HIS  89          2HD       HIS  89  19.056  -6.989  -6.138
  738    HE1  HIS  89          1HE       HIS  89  22.826  -6.185  -7.927
  739    H    LYS  90           H        LYS  90  20.720  -1.723  -4.242
  740    HA   LYS  90           HA       LYS  90  23.514  -1.711  -5.384
  741   1HB   LYS  90          1HB       LYS  90  21.103  -0.018  -5.872
  742   2HB   LYS  90          2HB       LYS  90  22.717   0.377  -6.514
  743   1HG   LYS  90          1HG       LYS  90  22.730  -1.781  -7.751
  744   2HG   LYS  90          2HG       LYS  90  21.211  -2.239  -6.982
  745   1HD   LYS  90          1HD       LYS  90  20.625  -1.527  -9.157
  746   2HD   LYS  90          2HD       LYS  90  20.049  -0.314  -8.019
  747   1HE   LYS  90          1HE       LYS  90  20.936   0.820  -9.932
  748   2HE   LYS  90          2HE       LYS  90  22.060   1.132  -8.615
  749   1HZ   LYS  90          2HZ       LYS  90  22.460  -0.978 -10.672
  750   2HZ   LYS  90          3HZ       LYS  90  23.071   0.543 -10.782
  751   3HZ   LYS  90          1HZ       LYS  90  23.559  -0.482  -9.594
  752    H    LEU  91           H        LEU  91  21.501  -0.265  -2.811
  753    HA   LEU  91           HA       LEU  91  23.688   1.232  -1.892
  754   1HB   LEU  91          1HB       LEU  91  20.912   0.703  -0.918
  755   2HB   LEU  91          2HB       LEU  91  22.085   1.384   0.180
  756    HG   LEU  91           HG       LEU  91  22.317   3.361  -0.893
  757   1HD1  LEU  91          3HD1      LEU  91  21.266   2.215  -3.481
  758   2HD1  LEU  91          1HD1      LEU  91  21.497   3.939  -3.167
  759   3HD1  LEU  91          2HD1      LEU  91  22.887   2.858  -3.172
  760   1HD2  LEU  91          2HD2      LEU  91  20.053   3.061   0.026
  761   2HD2  LEU  91          3HD2      LEU  91  20.070   4.212  -1.321
  762   3HD2  LEU  91          1HD2      LEU  91  19.486   2.550  -1.580
  763    H    ALA  92           H        ALA  92  23.669   0.456   0.835
  764    HA   ALA  92           HA       ALA  92  24.926  -0.818   2.174
  765   1HB   ALA  92          1HB       ALA  92  23.427  -2.754   1.773
  766   2HB   ALA  92          2HB       ALA  92  24.417  -3.212   0.376
  767   3HB   ALA  92          3HB       ALA  92  25.118  -3.207   2.004
  768    H    MET  93           H        MET  93  25.786   0.811   0.289
  769    HA   MET  93           HA       MET  93  28.391   0.871   0.219
  770   1HB   MET  93          1HB       MET  93  29.255   0.032  -1.968
  771   2HB   MET  93          2HB       MET  93  28.650  -1.281  -0.987
  772   1HG   MET  93          1HG       MET  93  26.432  -1.097  -2.284
  773   2HG   MET  93          2HG       MET  93  27.224   0.145  -3.245
  774   1HE   MET  93          3HE       MET  93  28.511  -3.365  -1.934
  775   2HE   MET  93          1HE       MET  93  26.830  -3.627  -2.464
  776   3HE   MET  93          2HE       MET  93  28.183  -4.345  -3.373
  777    H    ASP  94           H        ASP  94  25.701   2.187  -0.470
  778    HA   ASP  94           HA       ASP  94  24.758   3.702  -1.905
  779   1HB   ASP  94          1HB       ASP  94  27.120   5.050  -0.565
  780   2HB   ASP  94          2HB       ASP  94  25.918   5.943  -1.494
  781    H    THR  95           H        THR  95  25.526   2.163  -3.762
  782    HA   THR  95           HA       THR  95  27.596   3.055  -5.431
  783    HB   THR  95           HB       THR  95  24.998   1.699  -6.268
  784    HG1  THR  95          1HG       THR  95  25.957   0.421  -4.788
  785   1HG2  THR  95          3HG2      THR  95  26.624   2.551  -8.166
  786   2HG2  THR  95          1HG2      THR  95  27.653   1.214  -7.623
  787   3HG2  THR  95          2HG2      THR  95  26.021   0.887  -8.183
  788    H    TYR  96           H        TYR  96  24.142   4.079  -5.374
  789    HA   TYR  96           HA       TYR  96  24.788   6.513  -6.813
  790   1HB   TYR  96          1HB       TYR  96  23.088   4.288  -8.019
  791   2HB   TYR  96          2HB       TYR  96  22.838   5.963  -8.470
  792    HD1  TYR  96          2HD       TYR  96  25.039   7.324  -9.113
  793    HD2  TYR  96          1HD       TYR  96  24.490   3.067  -9.527
  794    HE1  TYR  96          2HE       TYR  96  26.900   7.230 -10.739
  795    HE2  TYR  96          1HE       TYR  96  26.342   3.001 -11.184
  796    HH   TYR  96           HH       TYR  96  27.901   4.251 -12.401
  797    H    LYS  97           H        LYS  97  22.907   7.835  -6.998
  798    HA   LYS  97           HA       LYS  97  21.636   8.421  -4.680
  799   1HB   LYS  97          1HB       LYS  97  20.233   9.884  -6.055
  800   2HB   LYS  97          2HB       LYS  97  21.912   9.895  -6.589
  801   1HG   LYS  97          1HG       LYS  97  21.028   8.033  -8.344
  802   2HG   LYS  97          2HG       LYS  97  19.452   8.691  -7.892
  803   1HD   LYS  97          1HD       LYS  97  19.983   9.849  -9.794
  804   2HD   LYS  97          2HD       LYS  97  20.423  10.985  -8.536
  805   1HE   LYS  97          1HE       LYS  97  22.355   9.157 -10.075
  806   2HE   LYS  97          2HE       LYS  97  22.006  10.846 -10.460
  807   1HZ   LYS  97          3HZ       LYS  97  22.926  11.437  -8.261
  808   2HZ   LYS  97          1HZ       LYS  97  23.448   9.912  -8.045
  809   3HZ   LYS  97          2HZ       LYS  97  24.032  10.784  -9.275
  810    H    LEU  98           H        LEU  98  20.276   6.413  -7.249
  811    HA   LEU  98           HA       LEU  98  18.377   5.201  -7.428
  812   1HB   LEU  98          1HB       LEU  98  20.196   4.000  -6.235
  813   2HB   LEU  98          2HB       LEU  98  19.416   4.361  -4.695
  814    HG   LEU  98           HG       LEU  98  17.484   2.938  -5.297
  815   1HD1  LEU  98          1HD1      LEU  98  18.934   2.523  -7.944
  816   2HD1  LEU  98          2HD1      LEU  98  17.561   1.557  -7.362
  817   3HD1  LEU  98          3HD1      LEU  98  17.326   3.268  -7.722
  818   1HD2  LEU  98          1HD2      LEU  98  20.273   1.878  -5.720
  819   2HD2  LEU  98          2HD2      LEU  98  19.301   1.873  -4.236
  820   3HD2  LEU  98          3HD2      LEU  98  18.869   0.793  -5.586
  821    H    ASN  99           H        ASN  99  17.307   7.525  -6.908
  822    HA   ASN  99           HA       ASN  99  14.952   6.833  -5.274
  823   1HB   ASN  99          2HB       ASN  99  16.595   9.379  -4.967
  824   2HB   ASN  99          3HB       ASN  99  14.841   9.354  -4.754
  825   1HD2  ASN  99          2HD2      ASN  99  17.064   7.393  -1.895
  826   2HD2  ASN  99          1HD2      ASN  99  17.735   7.522  -3.512
   
  No H/Q in entry =         826
  Start of MODEL    9
    1   1H    MET   0          1H        MET   0 -13.026   8.673  -3.965
    2   2H    MET   0          2H        MET   0 -13.508   8.408  -2.388
    3   3H    MET   0          3H        MET   0 -13.776   9.871  -3.104
    4    HA   MET   0           HA       MET   0 -11.667  10.557  -3.006
    5   1HB   MET   0          2HB       MET   0 -12.495  10.271  -0.664
    6   2HB   MET   0          3HB       MET   0 -11.827   8.629  -0.652
    7   1HG   MET   0          2HG       MET   0  -9.540   9.554  -1.016
    8   2HG   MET   0          3HG       MET   0 -10.219  11.177  -1.085
    9   1HE   MET   0          1HE       MET   0  -9.517   8.053   1.068
   10   2HE   MET   0          2HE       MET   0  -9.922   8.608   2.714
   11   3HE   MET   0          3HE       MET   0 -11.209   8.338   1.518
   12    H    ALA   1           H        ALA   1  -9.866  10.167  -4.150
   13    HA   ALA   1           HA       ALA   1  -8.690   7.412  -4.132
   14   1HB   ALA   1          2HB       ALA   1  -9.527   8.728  -6.347
   15   2HB   ALA   1          3HB       ALA   1  -7.931   9.450  -6.196
   16   3HB   ALA   1          1HB       ALA   1  -8.093   7.698  -6.320
   17    H    ARG   2           H        ARG   2  -7.835  10.825  -4.618
   18    HA   ARG   2           HA       ARG   2  -6.019  12.040  -4.201
   19   1HB   ARG   2          1HB       ARG   2  -5.967  10.615  -1.533
   20   2HB   ARG   2          2HB       ARG   2  -5.188  12.168  -1.908
   21   1HG   ARG   2          1HG       ARG   2  -7.522  13.063  -2.487
   22   2HG   ARG   2          2HG       ARG   2  -8.153  11.581  -1.768
   23   1HD   ARG   2          1HD       ARG   2  -6.594  13.824  -0.427
   24   2HD   ARG   2          2HD       ARG   2  -8.225  13.253  -0.056
   25    HE   ARG   2           HE       ARG   2  -5.842  11.450   0.285
   26   1HH1  ARG   2          2HH2      ARG   2  -8.113  13.585   2.045
   27   2HH1  ARG   2          1HH2      ARG   2  -7.564  13.006   3.572
   28   1HH2  ARG   2          2HH1      ARG   2  -5.258  10.718   2.187
   29   2HH2  ARG   2          1HH1      ARG   2  -6.205  11.025   3.648
   30    H    ILE   3           H        ILE   3  -3.658  12.026  -3.432
   31    HA   ILE   3           HA       ILE   3  -2.293   9.921  -4.873
   32    HB   ILE   3           HB       ILE   3  -0.357  11.202  -4.617
   33   1HG1  ILE   3          1HG1      ILE   3  -0.221  11.760  -2.304
   34   2HG1  ILE   3          2HG1      ILE   3  -0.122  13.219  -3.271
   35   1HG2  ILE   3          1HG2      ILE   3  -2.071  12.052  -6.162
   36   2HG2  ILE   3          2HG2      ILE   3  -2.610  13.212  -4.930
   37   3HG2  ILE   3          3HG2      ILE   3  -0.970  13.308  -5.577
   38   1HD1  ILE   3          2HD1      ILE   3  -2.512  13.741  -2.700
   39   2HD1  ILE   3          3HD1      ILE   3  -2.529  12.302  -1.643
   40   3HD1  ILE   3          1HD1      ILE   3  -1.440  13.645  -1.299
   41    H    ASP   4           H        ASP   4  -0.157   9.193  -3.854
   42    HA   ASP   4           HA       ASP   4  -0.334   8.553  -0.991
   43   1HB   ASP   4          1HB       ASP   4   1.180   6.574  -1.534
   44   2HB   ASP   4          2HB       ASP   4  -0.544   6.432  -1.876
   45    HA   PRO   5           HA       PRO   5   3.595  10.774  -1.505
   46   1HB   PRO   5          1HB       PRO   5   4.287  11.076   1.106
   47   2HB   PRO   5          2HB       PRO   5   3.004  12.031   0.332
   48   1HG   PRO   5          1HG       PRO   5   2.677   9.569   2.054
   49   2HG   PRO   5          2HG       PRO   5   1.784  11.108   2.169
   50   1HD   PRO   5          1HD       PRO   5   0.804   8.910   0.843
   51   2HD   PRO   5          2HD       PRO   5   0.452  10.576   0.292
   52    H    THR   6           H        THR   6   2.995   7.839   0.419
   53    HA   THR   6           HA       THR   6   5.802   6.896   0.021
   54    HB   THR   6           HB       THR   6   5.627   6.258   2.489
   55    HG1  THR   6          1HG       THR   6   4.022   7.914   3.480
   56   1HG2  THR   6          2HG2      THR   6   6.948   8.212   1.737
   57   2HG2  THR   6          3HG2      THR   6   5.516   9.251   1.874
   58   3HG2  THR   6          1HG2      THR   6   6.197   8.503   3.313
   59    H    LYS   7           H        LYS   7   3.673   6.113  -1.523
   60    HA   LYS   7           HA       LYS   7   2.231   4.412  -2.061
   61   1HB   LYS   7          1HB       LYS   7   4.741   4.297  -2.815
   62   2HB   LYS   7          2HB       LYS   7   4.820   2.848  -1.836
   63   1HG   LYS   7          1HG       LYS   7   4.459   2.393  -4.198
   64   2HG   LYS   7          2HG       LYS   7   3.067   1.814  -3.275
   65   1HD   LYS   7          1HD       LYS   7   1.671   3.584  -4.032
   66   2HD   LYS   7          2HD       LYS   7   3.025   4.596  -4.523
   67   1HE   LYS   7          1HE       LYS   7   2.178   1.999  -5.925
   68   2HE   LYS   7          2HE       LYS   7   1.691   3.628  -6.398
   69   1HZ   LYS   7          1HZ       LYS   7   4.081   4.148  -6.664
   70   2HZ   LYS   7          2HZ       LYS   7   4.425   2.534  -6.520
   71   3HZ   LYS   7          3HZ       LYS   7   3.480   3.097  -7.737
   72    H    LYS   8           H        LYS   8   1.111   4.476   0.023
   73    HA   LYS   8           HA       LYS   8   1.718   3.130   2.273
   74   1HB   LYS   8          1HB       LYS   8  -0.643   3.195   2.919
   75   2HB   LYS   8          2HB       LYS   8   0.004   4.711   2.311
   76   1HG   LYS   8          1HG       LYS   8  -1.965   2.878   0.879
   77   2HG   LYS   8          2HG       LYS   8  -2.283   4.410   1.706
   78   1HD   LYS   8          1HD       LYS   8  -0.606   5.460   0.066
   79   2HD   LYS   8          2HD       LYS   8  -0.774   3.956  -0.878
   80   1HE   LYS   8          1HE       LYS   8  -2.412   5.057  -1.941
   81   2HE   LYS   8          2HE       LYS   8  -3.411   4.543  -0.586
   82   1HZ   LYS   8          3HZ       LYS   8  -2.038   7.168  -0.822
   83   2HZ   LYS   8          1HZ       LYS   8  -3.592   6.887  -1.152
   84   3HZ   LYS   8          2HZ       LYS   8  -3.043   6.745   0.405
   85    H    GLY   9           H        GLY   9   2.573   1.108   2.090
   86   1HA   GLY   9          1HA       GLY   9   1.509  -1.268   1.112
   87   2HA   GLY   9          2HA       GLY   9   2.453  -1.133   2.602
   88    H    ARG  10           H        ARG  10   0.886   0.192   4.341
   89    HA   ARG  10           HA       ARG  10  -1.727  -1.274   4.512
   90   1HB   ARG  10          1HB       ARG  10   0.128  -0.371   6.748
   91   2HB   ARG  10          2HB       ARG  10  -1.526  -0.975   6.952
   92   1HG   ARG  10          1HG       ARG  10  -0.870  -3.113   5.872
   93   2HG   ARG  10          2HG       ARG  10   0.810  -2.527   5.755
   94   1HD   ARG  10          1HD       ARG  10   0.861  -2.284   8.247
   95   2HD   ARG  10          2HD       ARG  10  -0.782  -2.931   8.325
   96    HE   ARG  10           HE       ARG  10   1.423  -4.541   7.052
   97   1HH1  ARG  10          2HH2      ARG  10  -0.426  -4.128  10.052
   98   2HH1  ARG  10          1HH2      ARG  10  -0.539  -5.842  10.360
   99   1HH2  ARG  10          2HH1      ARG  10   1.762  -6.547   7.698
  100   2HH2  ARG  10          1HH1      ARG  10   1.048  -7.212   9.173
  101    H    ARG  11           H        ARG  11  -3.204   0.218   3.817
  102    HA   ARG  11           HA       ARG  11  -3.174   2.944   4.392
  103   1HB   ARG  11          1HB       ARG  11  -4.850   1.241   2.985
  104   2HB   ARG  11          2HB       ARG  11  -5.844   1.624   4.388
  105   1HG   ARG  11          1HG       ARG  11  -5.202   4.110   3.857
  106   2HG   ARG  11          2HG       ARG  11  -4.621   3.485   2.314
  107   1HD   ARG  11          1HD       ARG  11  -6.932   2.510   1.912
  108   2HD   ARG  11          2HD       ARG  11  -7.492   3.303   3.383
  109    HE   ARG  11           HE       ARG  11  -7.259   4.478   0.795
  110   1HH1  ARG  11          2HH2      ARG  11  -6.975   5.311   4.213
  111   2HH1  ARG  11          1HH2      ARG  11  -6.780   7.003   3.957
  112   1HH2  ARG  11          2HH1      ARG  11  -7.385   6.597   0.414
  113   2HH2  ARG  11          1HH1      ARG  11  -7.142   7.820   1.655
  114    H    ASN  12           H        ASN  12  -5.265   3.725   5.838
  115    HA   ASN  12           HA       ASN  12  -4.695   3.139   8.595
  116   1HB   ASN  12          1HB       ASN  12  -6.642   4.569   9.052
  117   2HB   ASN  12          2HB       ASN  12  -5.493   5.353   7.972
  118   1HD2  ASN  12          2HD2      ASN  12  -9.258   5.347   6.770
  119   2HD2  ASN  12          1HD2      ASN  12  -8.729   5.246   8.432
  120    H    ARG  13           H        ARG  13  -7.480   2.475   6.474
  121    HA   ARG  13           HA       ARG  13  -8.915   1.176   8.640
  122   1HB   ARG  13          1HB       ARG  13 -10.667   0.837   6.852
  123   2HB   ARG  13          2HB       ARG  13 -10.275   2.484   7.344
  124   1HG   ARG  13          1HG       ARG  13  -8.892   2.763   5.264
  125   2HG   ARG  13          2HG       ARG  13  -9.410   1.151   4.736
  126   1HD   ARG  13          1HD       ARG  13 -11.235   3.519   5.364
  127   2HD   ARG  13          2HD       ARG  13 -10.712   3.075   3.746
  128    HE   ARG  13           HE       ARG  13 -12.684   1.732   5.467
  129   1HH1  ARG  13          2HH2      ARG  13 -10.751   1.421   2.412
  130   2HH1  ARG  13          1HH2      ARG  13 -11.326  -0.216   2.205
  131   1HH2  ARG  13          2HH1      ARG  13 -14.088   0.274   4.397
  132   2HH2  ARG  13          1HH1      ARG  13 -13.406  -0.791   3.176
  133    H    PHE  14           H        PHE  14  -7.869   0.053   5.445
  134    HA   PHE  14           HA       PHE  14  -8.176  -2.791   6.115
  135   1HB   PHE  14          1HB       PHE  14  -8.436  -2.472   3.836
  136   2HB   PHE  14          2HB       PHE  14  -7.309  -1.122   3.760
  137    HD1  PHE  14          1HD       PHE  14  -4.837  -1.459   3.799
  138    HD2  PHE  14          2HD       PHE  14  -7.597  -4.771   3.584
  139    HE1  PHE  14          1HE       PHE  14  -2.979  -2.982   3.180
  140    HE2  PHE  14          2HE       PHE  14  -5.738  -6.268   2.940
  141    HZ   PHE  14           HZ       PHE  14  -3.523  -5.275   2.434
  142    H    LYS  15           H        LYS  15  -6.438  -4.143   6.689
  143    HA   LYS  15           HA       LYS  15  -3.720  -3.215   6.405
  144   1HB   LYS  15          1HB       LYS  15  -3.110  -3.810   8.774
  145   2HB   LYS  15          2HB       LYS  15  -4.023  -2.307   8.557
  146   1HG   LYS  15          1HG       LYS  15  -6.126  -3.465   9.206
  147   2HG   LYS  15          2HG       LYS  15  -5.222  -4.944   9.533
  148   1HD   LYS  15          1HD       LYS  15  -4.762  -2.231  10.863
  149   2HD   LYS  15          2HD       LYS  15  -5.807  -3.504  11.513
  150   1HE   LYS  15          1HE       LYS  15  -3.940  -5.029  11.810
  151   2HE   LYS  15          2HE       LYS  15  -2.818  -3.921  11.000
  152   1HZ   LYS  15          1HZ       LYS  15  -4.217  -3.296  13.521
  153   2HZ   LYS  15          2HZ       LYS  15  -2.656  -3.808  13.410
  154   3HZ   LYS  15          3HZ       LYS  15  -3.092  -2.382  12.763
  155    H    TRP  16           H        TRP  16  -2.209  -5.020   6.596
  156    HA   TRP  16           HA       TRP  16  -3.337  -7.513   5.614
  157   1HB   TRP  16          1HB       TRP  16  -0.520  -6.810   6.517
  158   2HB   TRP  16          2HB       TRP  16  -1.008  -8.276   5.677
  159    HD1  TRP  16           HD       TRP  16   0.308  -4.903   4.987
  160    HE1  TRP  16          1HE       TRP  16   0.181  -4.326   2.486
  161    HE3  TRP  16          3HE       TRP  16  -2.757  -8.698   3.423
  162    HZ2  TRP  16          2HZ       TRP  16  -1.183  -5.273   0.181
  163    HZ3  TRP  16          3HZ       TRP  16  -3.323  -8.906   1.030
  164    HH2  TRP  16           HH       TRP  16  -2.673  -7.123  -0.578
  165    H    GLY  17           H        GLY  17  -4.056  -9.207   6.876
  166   1HA   GLY  17          1HA       GLY  17  -3.618  -9.132   9.799
  167   2HA   GLY  17          2HA       GLY  17  -4.883  -9.989   8.899
  168    HA   PRO  18           HA       PRO  18  -1.068 -12.330  10.348
  169   1HB   PRO  18          1HB       PRO  18  -2.292 -14.345  11.817
  170   2HB   PRO  18          2HB       PRO  18  -1.832 -12.746  12.460
  171   1HG   PRO  18          1HG       PRO  18  -4.537 -13.609  11.411
  172   2HG   PRO  18          2HG       PRO  18  -4.173 -12.713  12.919
  173   1HD   PRO  18          1HD       PRO  18  -5.007 -11.434  10.701
  174   2HD   PRO  18          2HD       PRO  18  -3.718 -10.718  11.714
  175    H    ALA  19           H        ALA  19  -3.996 -13.585   8.944
  176    HA   ALA  19           HA       ALA  19  -2.607 -16.019   7.919
  177   1HB   ALA  19          3HB       ALA  19  -4.729 -16.449   9.047
  178   2HB   ALA  19          1HB       ALA  19  -5.577 -15.392   7.914
  179   3HB   ALA  19          2HB       ALA  19  -4.798 -16.851   7.315
  180    H    SER  20           H        SER  20  -4.412 -13.039   6.917
  181    HA   SER  20           HA       SER  20  -4.047 -13.027   4.227
  182   1HB   SER  20          1HB       SER  20  -3.069 -10.605   5.610
  183   2HB   SER  20          2HB       SER  20  -4.419 -10.800   4.466
  184    HG   SER  20           HG       SER  20  -5.726 -10.828   6.156
  185    H    GLN  21           H        GLN  21  -1.465 -12.362   6.687
  186    HA   GLN  21           HA       GLN  21   0.620 -11.825   4.901
  187   1HB   GLN  21          1HB       GLN  21   1.077 -13.600   7.298
  188   2HB   GLN  21          2HB       GLN  21   2.231 -12.544   6.490
  189   1HG   GLN  21          1HG       GLN  21   0.044 -11.885   8.404
  190   2HG   GLN  21          2HG       GLN  21   1.756 -11.612   8.592
  191   1HE2  GLN  21          2HE2      GLN  21   1.401  -8.855   5.942
  192   2HE2  GLN  21          1HE2      GLN  21   2.119 -10.454   5.853
  193    H    GLN  22           H        GLN  22  -0.835 -14.975   5.677
  194    HA   GLN  22           HA       GLN  22   1.459 -16.452   4.608
  195   1HB   GLN  22          1HB       GLN  22   0.173 -17.199   6.608
  196   2HB   GLN  22          2HB       GLN  22  -1.304 -17.328   5.644
  197   1HG   GLN  22          1HG       GLN  22  -0.505 -19.208   4.446
  198   2HG   GLN  22          2HG       GLN  22   1.162 -18.939   4.983
  199   1HE2  GLN  22          2HE2      GLN  22  -1.510 -20.814   7.477
  200   2HE2  GLN  22          1HE2      GLN  22  -2.094 -19.969   6.054
  201    H    ILE  23           H        ILE  23  -1.036 -14.762   3.140
  202    HA   ILE  23           HA       ILE  23  -0.812 -16.500   0.708
  203    HB   ILE  23           HB       ILE  23  -2.478 -14.078   1.391
  204   1HG1  ILE  23          1HG1      ILE  23  -4.320 -15.569   0.779
  205   2HG1  ILE  23          2HG1      ILE  23  -3.197 -16.925   0.546
  206   1HG2  ILE  23          2HG2      ILE  23  -2.051 -15.477  -1.286
  207   2HG2  ILE  23          3HG2      ILE  23  -3.373 -14.340  -0.958
  208   3HG2  ILE  23          1HG2      ILE  23  -1.700 -13.782  -0.896
  209   1HD1  ILE  23          1HD1      ILE  23  -3.634 -15.404   3.140
  210   2HD1  ILE  23          2HD1      ILE  23  -4.508 -16.884   2.671
  211   3HD1  ILE  23          3HD1      ILE  23  -2.772 -16.964   2.939
  212    H    LEU  24           H        LEU  24  -0.274 -13.199   1.951
  213    HA   LEU  24           HA       LEU  24   1.162 -12.028  -0.102
  214   1HB   LEU  24          1HB       LEU  24   1.646 -11.866   2.917
  215   2HB   LEU  24          2HB       LEU  24   2.412 -10.842   1.738
  216    HG   LEU  24           HG       LEU  24  -0.523 -10.878   2.389
  217   1HD1  LEU  24          2HD1      LEU  24   1.648  -9.611   3.606
  218   2HD1  LEU  24          3HD1      LEU  24   1.059  -8.374   2.491
  219   3HD1  LEU  24          1HD1      LEU  24  -0.036  -9.107   3.686
  220   1HD2  LEU  24          3HD2      LEU  24   1.006  -9.677   0.078
  221   2HD2  LEU  24          1HD2      LEU  24  -0.592 -10.452   0.090
  222   3HD2  LEU  24          2HD2      LEU  24  -0.377  -8.824   0.756
  223    H    PHE  25           H        PHE  25   2.624 -13.791   2.619
  224    HA   PHE  25           HA       PHE  25   5.266 -13.644   1.631
  225   1HB   PHE  25          1HB       PHE  25   5.939 -15.012   3.386
  226   2HB   PHE  25          2HB       PHE  25   4.579 -14.022   3.918
  227    HD1  PHE  25          1HD       PHE  25   5.181 -17.525   2.744
  228    HD2  PHE  25          2HD       PHE  25   3.517 -14.869   5.707
  229    HE1  PHE  25          1HE       PHE  25   4.530 -19.455   4.109
  230    HE2  PHE  25          2HE       PHE  25   3.045 -16.809   7.154
  231    HZ   PHE  25           HZ       PHE  25   3.489 -19.114   6.341
  232    H    GLN  26           H        GLN  26   2.732 -16.145   1.455
  233    HA   GLN  26           HA       GLN  26   4.576 -17.924   0.634
  234   1HB   GLN  26          1HB       GLN  26   2.960 -19.548   0.543
  235   2HB   GLN  26          2HB       GLN  26   2.182 -18.338   1.537
  236   1HG   GLN  26          1HG       GLN  26   0.821 -17.631  -0.353
  237   2HG   GLN  26          2HG       GLN  26   1.751 -18.651  -1.461
  238   1HE2  GLN  26          2HE2      GLN  26  -0.933 -20.529   1.018
  239   2HE2  GLN  26          1HE2      GLN  26  -0.320 -18.938   1.461
  240    H    ALA  27           H        ALA  27   2.716 -15.631  -1.241
  241    HA   ALA  27           HA       ALA  27   3.564 -16.647  -3.871
  242   1HB   ALA  27          2HB       ALA  27   1.476 -15.328  -3.596
  243   2HB   ALA  27          3HB       ALA  27   2.448 -13.947  -3.025
  244   3HB   ALA  27          1HB       ALA  27   2.628 -14.538  -4.694
  245    H    TYR  28           H        TYR  28   4.547 -13.883  -1.700
  246    HA   TYR  28           HA       TYR  28   6.527 -12.865  -3.406
  247   1HB   TYR  28          1HB       TYR  28   5.774 -11.629  -1.549
  248   2HB   TYR  28          2HB       TYR  28   6.160 -12.914  -0.412
  249    HD1  TYR  28          2HD       TYR  28   8.228 -11.054  -3.000
  250    HD2  TYR  28          1HD       TYR  28   7.716 -12.191   1.130
  251    HE1  TYR  28          2HE       TYR  28  10.225  -9.738  -2.384
  252    HE2  TYR  28          1HE       TYR  28   9.753 -10.931   1.723
  253    HH   TYR  28           HH       TYR  28  11.741  -9.267  -0.713
  254    H    GLU  29           H        GLU  29   6.708 -15.603  -1.254
  255    HA   GLU  29           HA       GLU  29   9.429 -16.370  -1.416
  256   1HB   GLU  29          1HB       GLU  29   7.785 -17.449   0.036
  257   2HB   GLU  29          2HB       GLU  29   6.751 -17.761  -1.327
  258   1HG   GLU  29          1HG       GLU  29   8.823 -19.308  -2.094
  259   2HG   GLU  29          2HG       GLU  29   9.069 -19.338  -0.342
  260    H    ARG  30           H        ARG  30   6.796 -17.752  -3.390
  261    HA   ARG  30           HA       ARG  30   8.719 -18.636  -5.340
  262   1HB   ARG  30          1HB       ARG  30   6.856 -19.874  -6.298
  263   2HB   ARG  30          2HB       ARG  30   6.999 -20.069  -4.551
  264   1HG   ARG  30          1HG       ARG  30   5.113 -18.244  -4.443
  265   2HG   ARG  30          2HG       ARG  30   4.863 -18.644  -6.146
  266   1HD   ARG  30          1HD       ARG  30   3.350 -19.907  -4.889
  267   2HD   ARG  30          2HD       ARG  30   4.561 -21.048  -5.489
  268    HE   ARG  30           HE       ARG  30   5.668 -20.618  -3.119
  269   1HH1  ARG  30          2HH2      ARG  30   2.235 -21.112  -3.746
  270   2HH1  ARG  30          1HH2      ARG  30   1.823 -21.337  -2.072
  271   1HH2  ARG  30          2HH1      ARG  30   5.210 -20.986  -0.991
  272   2HH2  ARG  30          1HH1      ARG  30   3.642 -21.533  -0.476
  273    H    GLN  31           H        GLN  31   5.750 -16.669  -5.698
  274    HA   GLN  31           HA       GLN  31   6.544 -15.726  -8.384
  275   1HB   GLN  31          1HB       GLN  31   4.053 -15.450  -6.670
  276   2HB   GLN  31          2HB       GLN  31   4.325 -14.551  -8.168
  277   1HG   GLN  31          1HG       GLN  31   4.307 -16.475  -9.531
  278   2HG   GLN  31          2HG       GLN  31   4.522 -17.565  -8.162
  279   1HE2  GLN  31          2HE2      GLN  31   0.758 -16.751  -9.325
  280   2HE2  GLN  31          1HE2      GLN  31   2.154 -16.236 -10.253
  281    H    LYS  32           H        LYS  32   8.495 -14.927  -7.137
  282    HA   LYS  32           HA       LYS  32   8.480 -12.754  -5.403
  283   1HB   LYS  32          1HB       LYS  32  10.348 -13.763  -7.537
  284   2HB   LYS  32          2HB       LYS  32  10.666 -12.146  -6.923
  285   1HG   LYS  32          1HG       LYS  32  10.228 -14.418  -4.968
  286   2HG   LYS  32          2HG       LYS  32  11.783 -14.233  -5.776
  287   1HD   LYS  32          1HD       LYS  32  12.002 -11.918  -5.003
  288   2HD   LYS  32          2HD       LYS  32  10.414 -11.990  -4.217
  289   1HE   LYS  32          1HE       LYS  32  11.155 -13.465  -2.521
  290   2HE   LYS  32          2HE       LYS  32  12.585 -13.965  -3.430
  291   1HZ   LYS  32          1HZ       LYS  32  12.287 -11.197  -2.351
  292   2HZ   LYS  32          2HZ       LYS  32  13.096 -12.366  -1.593
  293   3HZ   LYS  32          3HZ       LYS  32  13.585 -11.841  -3.026
  294    H    ASN  33           H        ASN  33   7.697 -12.651  -8.871
  295    HA   ASN  33           HA       ASN  33   7.483  -9.707  -8.724
  296   1HB   ASN  33          1HB       ASN  33   8.416  -9.462 -10.770
  297   2HB   ASN  33          2HB       ASN  33   9.470 -10.694 -10.079
  298   1HD2  ASN  33          2HD2      ASN  33   8.228 -13.232 -12.387
  299   2HD2  ASN  33          1HD2      ASN  33   9.109 -12.969 -10.890
  300    HA   PRO  34           HA       PRO  34   3.427 -10.779  -9.925
  301   1HB   PRO  34          1HB       PRO  34   2.240  -8.359 -10.204
  302   2HB   PRO  34          2HB       PRO  34   3.070  -8.803  -8.701
  303   1HG   PRO  34          1HG       PRO  34   4.228  -7.160 -10.961
  304   2HG   PRO  34          2HG       PRO  34   4.200  -6.752  -9.236
  305   1HD   PRO  34          1HD       PRO  34   6.369  -8.002 -10.400
  306   2HD   PRO  34          2HD       PRO  34   5.838  -8.298  -8.723
  307    H    SER  35           H        SER  35   3.600 -12.001 -11.912
  308    HA   SER  35           HA       SER  35   3.538 -10.510 -14.424
  309   1HB   SER  35          1HB       SER  35   2.677 -12.879 -15.207
  310   2HB   SER  35          2HB       SER  35   4.366 -12.529 -14.936
  311    HG   SER  35           HG       SER  35   3.219 -14.476 -13.905
  312    H    LYS  36           H        LYS  36   1.076 -12.850 -13.448
  313    HA   LYS  36           HA       LYS  36  -1.073 -10.888 -14.206
  314   1HB   LYS  36          1HB       LYS  36  -0.302 -13.556 -15.452
  315   2HB   LYS  36          2HB       LYS  36  -2.005 -13.109 -15.355
  316   1HG   LYS  36          1HG       LYS  36  -1.419 -12.473 -17.455
  317   2HG   LYS  36          2HG       LYS  36  -1.695 -11.051 -16.496
  318   1HD   LYS  36          1HD       LYS  36   1.142 -11.547 -16.399
  319   2HD   LYS  36          2HD       LYS  36   0.656 -11.917 -18.026
  320   1HE   LYS  36          1HE       LYS  36   1.445  -9.583 -17.722
  321   2HE   LYS  36          2HE       LYS  36  -0.163  -9.686 -18.439
  322   1HZ   LYS  36          1HZ       LYS  36   0.140  -9.288 -15.560
  323   2HZ   LYS  36          2HZ       LYS  36   0.339  -8.040 -16.542
  324   3HZ   LYS  36          3HZ       LYS  36  -1.123  -8.842 -16.556
  325    H    GLU  37           H        GLU  37  -1.877 -14.187 -13.831
  326    HA   GLU  37           HA       GLU  37  -3.847 -13.746 -11.979
  327   1HB   GLU  37          1HB       GLU  37  -2.863 -15.914 -13.432
  328   2HB   GLU  37          2HB       GLU  37  -2.595 -16.436 -11.773
  329   1HG   GLU  37          1HG       GLU  37  -4.927 -16.280 -11.260
  330   2HG   GLU  37          2HG       GLU  37  -5.254 -15.234 -12.663
  331    H    GLU  38           H        GLU  38  -0.454 -14.585 -11.236
  332    HA   GLU  38           HA       GLU  38  -0.147 -14.779  -8.622
  333   1HB   GLU  38          1HB       GLU  38   1.620 -14.120 -10.278
  334   2HB   GLU  38          2HB       GLU  38   1.015 -12.481 -10.324
  335   1HG   GLU  38          1HG       GLU  38   2.076 -13.711  -7.738
  336   2HG   GLU  38          2HG       GLU  38   3.134 -13.032  -8.995
  337    H    ARG  39           H        ARG  39  -0.920 -11.543  -9.931
  338    HA   ARG  39           HA       ARG  39  -1.060 -10.593  -7.261
  339   1HB   ARG  39          1HB       ARG  39  -0.324  -9.312  -9.384
  340   2HB   ARG  39          2HB       ARG  39  -2.002  -9.247  -9.884
  341   1HG   ARG  39          1HG       ARG  39  -2.543  -7.768  -8.011
  342   2HG   ARG  39          2HG       ARG  39  -1.025  -8.142  -7.235
  343   1HD   ARG  39          1HD       ARG  39  -1.205  -5.871  -8.508
  344   2HD   ARG  39          2HD       ARG  39   0.260  -6.851  -8.607
  345    HE   ARG  39           HE       ARG  39  -0.052  -7.232 -10.858
  346   1HH1  ARG  39          2HH2      ARG  39  -3.370  -6.739  -9.874
  347   2HH1  ARG  39          1HH2      ARG  39  -3.772  -5.551 -11.032
  348   1HH2  ARG  39          2HH1      ARG  39  -0.672  -6.472 -12.757
  349   2HH2  ARG  39          1HH1      ARG  39  -2.342  -6.001 -13.064
  350    H    GLU  40           H        GLU  40  -3.465 -11.151  -9.758
  351    HA   GLU  40           HA       GLU  40  -5.800 -10.401  -8.392
  352   1HB   GLU  40          1HB       GLU  40  -6.021 -12.526 -10.329
  353   2HB   GLU  40          2HB       GLU  40  -6.900 -10.992 -10.173
  354   1HG   GLU  40          1HG       GLU  40  -4.558 -10.068 -11.170
  355   2HG   GLU  40          2HG       GLU  40  -4.237 -11.755 -11.507
  356    H    THR  41           H        THR  41  -4.389 -13.615  -8.640
  357    HA   THR  41           HA       THR  41  -5.696 -15.147  -6.765
  358    HB   THR  41           HB       THR  41  -2.871 -14.931  -7.705
  359    HG1  THR  41          1HG       THR  41  -4.470 -16.088  -8.843
  360   1HG2  THR  41          3HG2      THR  41  -3.575 -16.548  -5.298
  361   2HG2  THR  41          1HG2      THR  41  -2.192 -16.887  -6.386
  362   3HG2  THR  41          2HG2      THR  41  -2.259 -15.366  -5.523
  363    H    LEU  42           H        LEU  42  -2.870 -12.990  -6.181
  364    HA   LEU  42           HA       LEU  42  -2.825 -13.400  -3.412
  365   1HB   LEU  42          1HB       LEU  42  -1.702 -11.418  -5.321
  366   2HB   LEU  42          2HB       LEU  42  -1.839 -10.853  -3.681
  367    HG   LEU  42           HG       LEU  42  -0.675 -13.592  -3.937
  368   1HD1  LEU  42          2HD1      LEU  42   0.544 -11.234  -5.339
  369   2HD1  LEU  42          3HD1      LEU  42   1.606 -12.367  -4.490
  370   3HD1  LEU  42          1HD1      LEU  42   0.555 -12.949  -5.770
  371   1HD2  LEU  42          3HD2      LEU  42  -0.865 -12.014  -1.859
  372   2HD2  LEU  42          1HD2      LEU  42   0.654 -12.882  -2.145
  373   3HD2  LEU  42          2HD2      LEU  42   0.517 -11.165  -2.565
  374    H    VAL  43           H        VAL  43  -4.774 -11.039  -5.270
  375    HA   VAL  43           HA       VAL  43  -5.866  -9.799  -2.886
  376    HB   VAL  43           HB       VAL  43  -7.410  -9.990  -5.483
  377   1HG1  VAL  43          2HG1      VAL  43  -8.412  -9.082  -3.330
  378   2HG1  VAL  43          3HG1      VAL  43  -7.136  -7.866  -3.310
  379   3HG1  VAL  43          1HG1      VAL  43  -8.333  -7.892  -4.635
  380   1HG2  VAL  43          3HG2      VAL  43  -5.113  -8.132  -4.821
  381   2HG2  VAL  43          1HG2      VAL  43  -5.326  -9.147  -6.272
  382   3HG2  VAL  43          2HG2      VAL  43  -6.389  -7.782  -6.032
  383    H    GLU  44           H        GLU  44  -7.169 -12.364  -5.086
  384    HA   GLU  44           HA       GLU  44  -9.570 -12.926  -3.880
  385   1HB   GLU  44          1HB       GLU  44  -7.689 -14.047  -5.754
  386   2HB   GLU  44          2HB       GLU  44  -8.333 -15.320  -4.787
  387   1HG   GLU  44          1HG       GLU  44  -9.958 -13.204  -6.240
  388   2HG   GLU  44          2HG       GLU  44  -9.497 -14.790  -6.916
  389    H    GLU  45           H        GLU  45  -6.556 -14.682  -3.408
  390    HA   GLU  45           HA       GLU  45  -7.661 -16.291  -1.474
  391   1HB   GLU  45          1HB       GLU  45  -5.178 -16.047  -2.908
  392   2HB   GLU  45          2HB       GLU  45  -4.778 -16.377  -1.224
  393   1HG   GLU  45          1HG       GLU  45  -4.988 -18.424  -2.547
  394   2HG   GLU  45          2HG       GLU  45  -6.215 -18.363  -1.272
  395    H    CYS  46           H        CYS  46  -5.823 -13.289  -1.185
  396    HA   CYS  46           HA       CYS  46  -5.484 -13.350   1.698
  397   1HB   CYS  46          1HB       CYS  46  -5.572 -11.139  -0.377
  398   2HB   CYS  46          2HB       CYS  46  -5.688 -10.711   1.325
  399    HG   CYS  46           HG       CYS  46  -3.412 -12.520  -0.153
  400    H    ASN  47           H        ASN  47  -8.003 -12.007  -0.500
  401    HA   ASN  47           HA       ASN  47  -9.756 -11.032   1.502
  402   1HB   ASN  47          1HB       ASN  47 -10.000 -11.666  -1.421
  403   2HB   ASN  47          2HB       ASN  47 -11.492 -11.676  -0.526
  404   1HD2  ASN  47          2HD2      ASN  47 -10.590  -8.204  -1.910
  405   2HD2  ASN  47          1HD2      ASN  47 -10.581  -9.792  -2.660
  406    H    ARG  48           H        ARG  48  -9.522 -14.301   0.037
  407    HA   ARG  48           HA       ARG  48 -11.666 -15.552   1.384
  408   1HB   ARG  48          1HB       ARG  48 -10.327 -16.622  -0.382
  409   2HB   ARG  48          2HB       ARG  48  -8.929 -16.664   0.672
  410   1HG   ARG  48          1HG       ARG  48 -10.432 -18.071   2.301
  411   2HG   ARG  48          2HG       ARG  48 -11.429 -18.334   0.876
  412   1HD   ARG  48          1HD       ARG  48  -8.436 -18.901   1.116
  413   2HD   ARG  48          2HD       ARG  48  -9.688 -20.117   1.275
  414    HE   ARG  48           HE       ARG  48  -8.743 -18.762  -1.213
  415   1HH1  ARG  48          2HH2      ARG  48 -11.270 -20.834   0.152
  416   2HH1  ARG  48          1HH2      ARG  48 -11.786 -21.398  -1.390
  417   1HH2  ARG  48          2HH1      ARG  48  -9.143 -19.707  -3.093
  418   2HH2  ARG  48          1HH1      ARG  48 -10.362 -20.941  -3.349
  419    H    ALA  49           H        ALA  49  -8.216 -15.337   2.326
  420    HA   ALA  49           HA       ALA  49  -8.488 -16.518   4.880
  421   1HB   ALA  49          1HB       ALA  49  -6.348 -16.169   3.777
  422   2HB   ALA  49          2HB       ALA  49  -6.488 -14.408   3.973
  423   3HB   ALA  49          3HB       ALA  49  -6.336 -15.452   5.402
  424    H    GLU  50           H        GLU  50  -8.900 -13.129   3.877
  425    HA   GLU  50           HA       GLU  50  -9.130 -12.070   6.531
  426   1HB   GLU  50          1HB       GLU  50  -8.504 -10.915   4.287
  427   2HB   GLU  50          2HB       GLU  50 -10.236 -10.828   4.018
  428   1HG   GLU  50          1HG       GLU  50  -9.522  -8.771   4.890
  429   2HG   GLU  50          2HG       GLU  50 -10.417  -9.592   6.203
  430    H    CYS  51           H        CYS  51 -11.352 -13.272   4.050
  431    HA   CYS  51           HA       CYS  51 -13.863 -12.804   5.193
  432   1HB   CYS  51          1HB       CYS  51 -14.242 -13.421   3.167
  433   2HB   CYS  51          2HB       CYS  51 -12.921 -14.541   3.204
  434    HG   CYS  51           HG       CYS  51 -15.198 -15.773   2.782
  435    H    ILE  52           H        ILE  52 -11.582 -15.518   5.651
  436    HA   ILE  52           HA       ILE  52 -13.252 -16.899   7.550
  437    HB   ILE  52           HB       ILE  52 -10.277 -17.027   6.931
  438   1HG1  ILE  52          1HG1      ILE  52 -12.575 -18.949   6.318
  439   2HG1  ILE  52          2HG1      ILE  52 -11.953 -17.753   5.179
  440   1HG2  ILE  52          3HG2      ILE  52 -10.621 -17.735   9.273
  441   2HG2  ILE  52          1HG2      ILE  52 -11.888 -18.865   8.743
  442   3HG2  ILE  52          2HG2      ILE  52 -10.197 -19.097   8.251
  443   1HD1  ILE  52          2HD1      ILE  52  -9.697 -18.820   5.299
  444   2HD1  ILE  52          3HD1      ILE  52 -10.414 -20.126   6.278
  445   3HD1  ILE  52          1HD1      ILE  52 -10.977 -19.851   4.626
  446    H    GLN  53           H        GLN  53 -10.559 -14.586   7.823
  447    HA   GLN  53           HA       GLN  53 -10.384 -14.445  10.634
  448   1HB   GLN  53          1HB       GLN  53  -9.878 -12.267   8.586
  449   2HB   GLN  53          2HB       GLN  53  -9.506 -12.121  10.281
  450   1HG   GLN  53          1HG       GLN  53  -7.805 -13.751  10.252
  451   2HG   GLN  53          2HG       GLN  53  -8.393 -14.494   8.771
  452   1HE2  GLN  53          2HE2      GLN  53  -6.818 -10.868   7.859
  453   2HE2  GLN  53          1HE2      GLN  53  -7.902 -10.990   9.231
  454    H    ARG  54           H        ARG  54 -13.060 -13.257   8.671
  455    HA   ARG  54           HA       ARG  54 -14.218 -12.309  11.228
  456   1HB   ARG  54          1HB       ARG  54 -13.190 -10.458   9.575
  457   2HB   ARG  54          2HB       ARG  54 -14.731 -10.665   8.753
  458   1HG   ARG  54          1HG       ARG  54 -15.960 -10.142  10.777
  459   2HG   ARG  54          2HG       ARG  54 -14.518 -10.222  11.776
  460   1HD   ARG  54          1HD       ARG  54 -15.285  -7.864  11.288
  461   2HD   ARG  54          2HD       ARG  54 -13.594  -8.269  10.994
  462    HE   ARG  54           HE       ARG  54 -13.790  -7.744   8.832
  463   1HH1  ARG  54          2HH2      ARG  54 -17.047  -8.582  10.021
  464   2HH1  ARG  54          1HH2      ARG  54 -17.857  -8.211   8.536
  465   1HH2  ARG  54          2HH1      ARG  54 -14.956  -6.878   6.946
  466   2HH2  ARG  54          1HH1      ARG  54 -16.584  -7.435   6.690
  467    H    GLY  55           H        GLY  55 -14.516 -14.715   9.605
  468   1HA   GLY  55          1HA       GLY  55 -16.150 -16.033   8.697
  469   2HA   GLY  55          2HA       GLY  55 -17.116 -15.388  10.034
  470    H    VAL  56           H        VAL  56 -15.916 -13.863   6.975
  471    HA   VAL  56           HA       VAL  56 -18.635 -12.895   6.367
  472    HB   VAL  56           HB       VAL  56 -16.127 -12.926   4.653
  473   1HG1  VAL  56          1HG1      VAL  56 -18.828 -11.563   4.211
  474   2HG1  VAL  56          2HG1      VAL  56 -17.351 -11.119   3.346
  475   3HG1  VAL  56          3HG1      VAL  56 -18.008 -12.724   3.134
  476   1HG2  VAL  56          3HG2      VAL  56 -17.432 -10.798   6.369
  477   2HG2  VAL  56          1HG2      VAL  56 -15.763 -11.444   6.472
  478   3HG2  VAL  56          2HG2      VAL  56 -16.258 -10.423   5.110
  479    H    SER  57           H        SER  57 -19.680 -13.522   4.368
  480    HA   SER  57           HA       SER  57 -20.268 -16.258   4.100
  481   1HB   SER  57          1HB       SER  57 -20.964 -13.703   2.967
  482   2HB   SER  57          2HB       SER  57 -20.871 -14.907   1.670
  483    HG   SER  57           HG       SER  57 -22.381 -15.141   4.050
  484    HA   PRO  58           HA       PRO  58 -16.551 -17.403   2.031
  485   1HB   PRO  58          1HB       PRO  58 -17.201 -19.745   0.709
  486   2HB   PRO  58          2HB       PRO  58 -17.013 -19.589   2.474
  487   1HG   PRO  58          1HG       PRO  58 -19.593 -19.444   0.875
  488   2HG   PRO  58          2HG       PRO  58 -19.263 -20.435   2.321
  489   1HD   PRO  58          1HD       PRO  58 -20.536 -18.060   2.538
  490   2HD   PRO  58          2HD       PRO  58 -19.297 -18.513   3.742
  491    H    SER  59           H        SER  59 -19.394 -17.384  -0.141
  492    HA   SER  59           HA       SER  59 -17.657 -16.991  -2.505
  493   1HB   SER  59          1HB       SER  59 -19.697 -16.853  -3.756
  494   2HB   SER  59          2HB       SER  59 -19.732 -18.278  -2.714
  495    HG   SER  59           HG       SER  59 -21.684 -16.989  -2.717
  496    H    GLN  60           H        GLN  60 -18.327 -14.977   0.018
  497    HA   GLN  60           HA       GLN  60 -18.621 -12.522  -1.663
  498   1HB   GLN  60          1HB       GLN  60 -20.631 -13.301  -0.183
  499   2HB   GLN  60          2HB       GLN  60 -19.564 -12.919   1.177
  500   1HG   GLN  60          1HG       GLN  60 -19.369 -10.561  -0.110
  501   2HG   GLN  60          2HG       GLN  60 -20.899 -11.092  -0.814
  502   1HE2  GLN  60          2HE2      GLN  60 -22.423 -11.384   2.585
  503   2HE2  GLN  60          1HE2      GLN  60 -22.367 -12.224   1.060
  504    H    ALA  61           H        ALA  61 -16.081 -13.842  -1.079
  505    HA   ALA  61           HA       ALA  61 -14.950 -12.464   1.185
  506   1HB   ALA  61          2HB       ALA  61 -13.896 -14.473   0.097
  507   2HB   ALA  61          3HB       ALA  61 -13.345 -13.377  -1.206
  508   3HB   ALA  61          1HB       ALA  61 -12.857 -13.111   0.477
  509    H    GLN  62           H        GLN  62 -15.943 -11.479  -1.978
  510    HA   GLN  62           HA       GLN  62 -14.622  -8.882  -1.755
  511   1HB   GLN  62          1HB       GLN  62 -15.812 -10.380  -3.881
  512   2HB   GLN  62          2HB       GLN  62 -16.795  -8.928  -3.682
  513   1HG   GLN  62          1HG       GLN  62 -14.998  -8.535  -5.266
  514   2HG   GLN  62          2HG       GLN  62 -14.752  -7.532  -3.825
  515   1HE2  GLN  62          2HE2      GLN  62 -11.468  -9.049  -4.711
  516   2HE2  GLN  62          1HE2      GLN  62 -12.581  -7.971  -5.552
  517    H    GLY  63           H        GLY  63 -16.690 -10.010   0.332
  518   1HA   GLY  63          1HA       GLY  63 -18.432  -7.650   0.624
  519   2HA   GLY  63          2HA       GLY  63 -18.165  -9.014   1.738
  520    H    LEU  64           H        LEU  64 -16.781  -8.768   3.256
  521    HA   LEU  64           HA       LEU  64 -15.366  -7.995   4.737
  522   1HB   LEU  64          1HB       LEU  64 -13.745  -8.049   2.222
  523   2HB   LEU  64          2HB       LEU  64 -13.011  -7.433   3.687
  524    HG   LEU  64           HG       LEU  64 -12.439  -9.696   3.509
  525   1HD1  LEU  64          1HD1      LEU  64 -14.351  -9.462   5.807
  526   2HD1  LEU  64          2HD1      LEU  64 -13.166 -10.721   5.518
  527   3HD1  LEU  64          3HD1      LEU  64 -12.622  -9.080   5.727
  528   1HD2  LEU  64          1HD2      LEU  64 -14.996 -10.194   2.426
  529   2HD2  LEU  64          2HD2      LEU  64 -13.538 -11.207   2.522
  530   3HD2  LEU  64          3HD2      LEU  64 -14.727 -11.253   3.816
  531    H    GLY  65           H        GLY  65 -15.443  -5.528   2.233
  532   1HA   GLY  65          1HA       GLY  65 -15.699  -3.373   2.262
  533   2HA   GLY  65          2HA       GLY  65 -16.489  -3.557   3.841
  534    H    SER  66           H        SER  66 -15.242  -3.122   5.734
  535    HA   SER  66           HA       SER  66 -13.151  -1.262   5.861
  536   1HB   SER  66          1HB       SER  66 -14.490  -3.316   7.597
  537   2HB   SER  66          2HB       SER  66 -12.835  -2.974   7.968
  538    HG   SER  66           HG       SER  66 -14.311  -1.559   9.017
  539    H    ASN  67           H        ASN  67 -13.113  -4.806   5.918
  540    HA   ASN  67           HA       ASN  67 -10.236  -4.929   6.211
  541   1HB   ASN  67          1HB       ASN  67 -12.426  -6.965   5.780
  542   2HB   ASN  67          2HB       ASN  67 -10.729  -7.396   6.019
  543   1HD2  ASN  67          2HD2      ASN  67 -10.885  -7.199   9.525
  544   2HD2  ASN  67          1HD2      ASN  67  -9.930  -7.604   8.098
  545    H    LEU  68           H        LEU  68 -12.354  -4.833   3.450
  546    HA   LEU  68           HA       LEU  68 -11.417  -6.869   1.875
  547   1HB   LEU  68          1HB       LEU  68 -13.380  -5.543   1.358
  548   2HB   LEU  68          2HB       LEU  68 -12.386  -4.130   0.990
  549    HG   LEU  68           HG       LEU  68 -11.325  -6.148  -0.664
  550   1HD1  LEU  68          1HD1      LEU  68 -13.189  -7.617  -0.044
  551   2HD1  LEU  68          2HD1      LEU  68 -14.311  -6.431  -0.762
  552   3HD1  LEU  68          3HD1      LEU  68 -13.079  -7.227  -1.769
  553   1HD2  LEU  68          2HD2      LEU  68 -11.685  -3.798  -1.277
  554   2HD2  LEU  68          3HD2      LEU  68 -12.329  -4.915  -2.489
  555   3HD2  LEU  68          1HD2      LEU  68 -13.439  -4.093  -1.369
  556    H    VAL  69           H        VAL  69  -9.648  -7.287   0.712
  557    HA   VAL  69           HA       VAL  69  -7.474  -5.272   0.487
  558    HB   VAL  69           HB       VAL  69  -6.875  -7.456   1.409
  559   1HG1  VAL  69          2HG1      VAL  69  -8.132  -8.573  -1.077
  560   2HG1  VAL  69          3HG1      VAL  69  -6.808  -9.398  -0.281
  561   3HG1  VAL  69          1HG1      VAL  69  -8.265  -9.073   0.636
  562   1HG2  VAL  69          2HG2      VAL  69  -5.217  -6.208   0.069
  563   2HG2  VAL  69          3HG2      VAL  69  -5.024  -7.964  -0.002
  564   3HG2  VAL  69          1HG2      VAL  69  -5.705  -7.127  -1.385
  565    H    THR  70           H        THR  70  -6.465  -5.026  -1.639
  566    HA   THR  70           HA       THR  70  -8.133  -5.626  -4.002
  567    HB   THR  70           HB       THR  70  -8.025  -3.289  -4.757
  568    HG1  THR  70          1HG       THR  70  -6.263  -2.552  -3.615
  569   1HG2  THR  70          3HG2      THR  70 -10.012  -4.058  -3.433
  570   2HG2  THR  70          1HG2      THR  70  -9.251  -3.445  -1.949
  571   3HG2  THR  70          2HG2      THR  70  -9.669  -2.331  -3.248
  572    H    GLU  71           H        GLU  71  -6.876  -5.318  -6.005
  573    HA   GLU  71           HA       GLU  71  -4.282  -6.376  -5.890
  574   1HB   GLU  71          1HB       GLU  71  -4.167  -5.431  -8.302
  575   2HB   GLU  71          2HB       GLU  71  -5.319  -6.708  -7.872
  576   1HG   GLU  71          1HG       GLU  71  -7.162  -5.235  -7.806
  577   2HG   GLU  71          2HG       GLU  71  -6.135  -3.804  -8.005
  578    H    VAL  72           H        VAL  72  -5.088  -2.909  -6.477
  579    HA   VAL  72           HA       VAL  72  -2.471  -1.999  -6.460
  580    HB   VAL  72           HB       VAL  72  -4.369  -0.597  -6.981
  581   1HG1  VAL  72          1HG1      VAL  72  -4.997  -0.523  -3.995
  582   2HG1  VAL  72          2HG1      VAL  72  -5.737   0.490  -5.241
  583   3HG1  VAL  72          3HG1      VAL  72  -5.998  -1.256  -5.276
  584   1HG2  VAL  72          3HG2      VAL  72  -2.152   0.380  -6.286
  585   2HG2  VAL  72          1HG2      VAL  72  -3.531   1.459  -6.090
  586   3HG2  VAL  72          2HG2      VAL  72  -2.840   0.658  -4.671
  587    H    ARG  73           H        ARG  73  -4.283  -3.213  -3.723
  588    HA   ARG  73           HA       ARG  73  -2.749  -1.973  -1.617
  589   1HB   ARG  73          1HB       ARG  73  -5.083  -3.518  -1.776
  590   2HB   ARG  73          2HB       ARG  73  -3.927  -4.671  -1.135
  591   1HG   ARG  73          1HG       ARG  73  -5.127  -3.642   0.641
  592   2HG   ARG  73          2HG       ARG  73  -3.438  -3.084   0.697
  593   1HD   ARG  73          1HD       ARG  73  -5.160  -1.301   1.133
  594   2HD   ARG  73          2HD       ARG  73  -4.043  -0.959  -0.189
  595    HE   ARG  73           HE       ARG  73  -6.458  -2.224  -1.183
  596   1HH1  ARG  73          2HH2      ARG  73  -5.241   0.822   0.005
  597   2HH1  ARG  73          1HH2      ARG  73  -6.133   1.795  -1.123
  598   1HH2  ARG  73          2HH1      ARG  73  -7.836  -1.058  -2.427
  599   2HH2  ARG  73          1HH1      ARG  73  -8.299   0.550  -1.937
  600    H    VAL  74           H        VAL  74  -2.723  -5.187  -3.248
  601    HA   VAL  74           HA       VAL  74  -0.385  -5.967  -1.794
  602    HB   VAL  74           HB       VAL  74  -2.257  -7.373  -2.958
  603   1HG1  VAL  74          1HG1      VAL  74  -0.112  -7.451  -5.101
  604   2HG1  VAL  74          2HG1      VAL  74  -1.478  -8.569  -4.939
  605   3HG1  VAL  74          3HG1      VAL  74  -1.780  -6.867  -5.294
  606   1HG2  VAL  74          2HG2      VAL  74  -0.416  -8.127  -1.431
  607   2HG2  VAL  74          3HG2      VAL  74  -0.880  -9.305  -2.638
  608   3HG2  VAL  74          1HG2      VAL  74   0.601  -8.377  -2.867
  609    H    TYR  75           H        TYR  75  -0.877  -4.565  -5.032
  610    HA   TYR  75           HA       TYR  75   1.766  -4.503  -5.903
  611   1HB   TYR  75          1HB       TYR  75  -0.403  -3.577  -6.991
  612   2HB   TYR  75          2HB       TYR  75  -0.052  -2.086  -6.128
  613    HD1  TYR  75          1HD       TYR  75   1.945  -0.720  -6.725
  614    HD2  TYR  75          2HD       TYR  75   0.962  -4.340  -8.861
  615    HE1  TYR  75          1HE       TYR  75   3.420  -0.031  -8.588
  616    HE2  TYR  75          2HE       TYR  75   2.424  -3.634 -10.725
  617    HH   TYR  75           HH       TYR  75   4.248  -0.558 -10.669
  618    H    ASN  76           H        ASN  76   0.184  -2.436  -3.479
  619    HA   ASN  76           HA       ASN  76   2.486  -0.748  -3.001
  620   1HB   ASN  76          1HB       ASN  76  -0.201  -1.043  -1.642
  621   2HB   ASN  76          2HB       ASN  76   1.127  -0.176  -0.882
  622   1HD2  ASN  76          2HD2      ASN  76  -0.356   1.502  -4.349
  623   2HD2  ASN  76          1HD2      ASN  76  -0.399  -0.254  -4.176
  624    H    TRP  77           H        TRP  77   1.239  -3.734  -1.325
  625    HA   TRP  77           HA       TRP  77   3.270  -3.480   0.746
  626   1HB   TRP  77          1HB       TRP  77   2.324  -5.183   1.729
  627   2HB   TRP  77          2HB       TRP  77   1.152  -5.246   0.417
  628    HD1  TRP  77           HD       TRP  77   1.759  -6.913  -1.582
  629    HE1  TRP  77          1HE       TRP  77   3.042  -9.106  -1.745
  630    HE3  TRP  77          3HE       TRP  77   4.054  -6.868   3.017
  631    HZ2  TRP  77          2HZ       TRP  77   4.607 -10.745  -0.019
  632    HZ3  TRP  77          3HZ       TRP  77   4.847  -9.039   3.902
  633    HH2  TRP  77           HH       TRP  77   5.401 -10.895   2.303
  634    H    PHE  78           H        PHE  78   3.161  -5.203  -2.407
  635    HA   PHE  78           HA       PHE  78   5.779  -6.278  -2.205
  636   1HB   PHE  78          1HB       PHE  78   3.935  -5.694  -4.534
  637   2HB   PHE  78          2HB       PHE  78   5.604  -6.169  -4.811
  638    HD1  PHE  78          2HD       PHE  78   6.540  -8.253  -3.656
  639    HD2  PHE  78          1HD       PHE  78   2.343  -7.514  -4.304
  640    HE1  PHE  78          2HE       PHE  78   6.100 -10.679  -3.724
  641    HE2  PHE  78          1HE       PHE  78   1.903  -9.937  -4.180
  642    HZ   PHE  78           HZ       PHE  78   3.796 -11.541  -3.934
  643    H    ALA  79           H        ALA  79   4.602  -3.156  -3.531
  644    HA   ALA  79           HA       ALA  79   7.017  -1.986  -4.280
  645   1HB   ALA  79          2HB       ALA  79   4.742  -0.849  -4.365
  646   2HB   ALA  79          3HB       ALA  79   4.882  -0.564  -2.640
  647   3HB   ALA  79          1HB       ALA  79   6.052   0.150  -3.718
  648    H    ASN  80           H        ASN  80   5.746  -2.555  -0.976
  649    HA   ASN  80           HA       ASN  80   7.943  -1.088   0.214
  650   1HB   ASN  80          1HB       ASN  80   5.731  -1.303   1.420
  651   2HB   ASN  80          2HB       ASN  80   6.002  -3.036   1.562
  652   1HD2  ASN  80          2HD2      ASN  80   8.336  -2.736   4.222
  653   2HD2  ASN  80          1HD2      ASN  80   7.567  -3.837   3.104
  654    H    ARG  81           H        ARG  81   7.124  -4.540  -0.111
  655    HA   ARG  81           HA       ARG  81   9.382  -5.466   1.323
  656   1HB   ARG  81          1HB       ARG  81   7.604  -6.737  -0.782
  657   2HB   ARG  81          2HB       ARG  81   8.942  -7.619  -0.051
  658   1HG   ARG  81          1HG       ARG  81   6.761  -6.296   1.633
  659   2HG   ARG  81          2HG       ARG  81   6.665  -7.956   1.014
  660   1HD   ARG  81          1HD       ARG  81   8.745  -8.557   2.110
  661   2HD   ARG  81          2HD       ARG  81   8.926  -6.933   2.820
  662    HE   ARG  81           HE       ARG  81   6.471  -7.850   3.687
  663   1HH1  ARG  81          2HH2      ARG  81   9.934  -8.641   4.051
  664   2HH1  ARG  81          1HH2      ARG  81   9.696  -9.380   5.611
  665   1HH2  ARG  81          2HH1      ARG  81   6.237  -9.491   5.561
  666   2HH2  ARG  81          1HH1      ARG  81   7.682  -9.601   6.507
  667    H    ARG  82           H        ARG  82   9.055  -4.550  -2.096
  668    HA   ARG  82           HA       ARG  82  11.595  -5.235  -3.093
  669   1HB   ARG  82          1HB       ARG  82  10.082  -2.585  -3.321
  670   2HB   ARG  82          2HB       ARG  82  11.516  -3.006  -4.221
  671   1HG   ARG  82          1HG       ARG  82   9.524  -5.115  -4.451
  672   2HG   ARG  82          2HG       ARG  82   8.780  -3.565  -4.821
  673   1HD   ARG  82          1HD       ARG  82  11.485  -4.053  -6.115
  674   2HD   ARG  82          2HD       ARG  82  10.178  -5.087  -6.637
  675    HE   ARG  82           HE       ARG  82   9.369  -3.420  -7.913
  676   1HH1  ARG  82          2HH2      ARG  82  11.721  -1.811  -5.838
  677   2HH1  ARG  82          1HH2      ARG  82  10.909  -0.262  -5.881
  678   1HH2  ARG  82          2HH1      ARG  82   8.466  -1.289  -8.244
  679   2HH2  ARG  82          1HH1      ARG  82   9.371   0.076  -7.665
  680    H    LYS  83           H        LYS  83  10.664  -2.326  -1.203
  681    HA   LYS  83           HA       LYS  83  13.357  -1.422  -1.140
  682   1HB   LYS  83          1HB       LYS  83  10.930  -0.186  -0.814
  683   2HB   LYS  83          2HB       LYS  83  11.358  -0.386   0.882
  684   1HG   LYS  83          1HG       LYS  83  12.855   1.150  -1.291
  685   2HG   LYS  83          2HG       LYS  83  11.990   1.798   0.105
  686   1HD   LYS  83          1HD       LYS  83  13.707   0.482   1.561
  687   2HD   LYS  83          2HD       LYS  83  14.609   0.234   0.067
  688   1HE   LYS  83          1HE       LYS  83  15.565   2.102   1.231
  689   2HE   LYS  83          2HE       LYS  83  14.798   2.706  -0.250
  690   1HZ   LYS  83          1HZ       LYS  83  13.529   2.797   2.421
  691   2HZ   LYS  83          2HZ       LYS  83  14.406   4.039   1.793
  692   3HZ   LYS  83          3HZ       LYS  83  13.023   3.581   1.069
  693    H    GLU  84           H        GLU  84  11.340  -3.161   1.204
  694    HA   GLU  84           HA       GLU  84  13.174  -3.220   3.341
  695   1HB   GLU  84          1HB       GLU  84  10.719  -4.058   3.196
  696   2HB   GLU  84          2HB       GLU  84  11.412  -5.574   2.588
  697   1HG   GLU  84          1HG       GLU  84  12.797  -5.720   4.657
  698   2HG   GLU  84          2HG       GLU  84  12.047  -4.237   5.261
  699    H    GLU  85           H        GLU  85  13.091  -5.030   0.283
  700    HA   GLU  85           HA       GLU  85  14.982  -7.059   1.245
  701   1HB   GLU  85          1HB       GLU  85  13.130  -7.585  -0.245
  702   2HB   GLU  85          2HB       GLU  85  13.788  -6.574  -1.523
  703   1HG   GLU  85          1HG       GLU  85  15.330  -8.139  -2.147
  704   2HG   GLU  85          2HG       GLU  85  15.682  -8.641  -0.504
  705    H    ALA  86           H        ALA  86  14.967  -4.399  -1.121
  706    HA   ALA  86           HA       ALA  86  17.707  -4.461  -1.815
  707   1HB   ALA  86          3HB       ALA  86  15.891  -3.239  -3.008
  708   2HB   ALA  86          1HB       ALA  86  15.850  -2.049  -1.691
  709   3HB   ALA  86          2HB       ALA  86  17.313  -2.245  -2.689
  710    H    PHE  87           H        PHE  87  15.993  -2.767   0.799
  711    HA   PHE  87           HA       PHE  87  18.110  -1.455   2.126
  712   1HB   PHE  87          1HB       PHE  87  15.976  -0.949   2.908
  713   2HB   PHE  87          2HB       PHE  87  15.488  -2.632   2.957
  714    HD1  PHE  87          1HD       PHE  87  17.781  -0.311   4.763
  715    HD2  PHE  87          2HD       PHE  87  15.128  -3.698   4.953
  716    HE1  PHE  87          1HE       PHE  87  17.667  -0.091   7.242
  717    HE2  PHE  87          2HE       PHE  87  14.998  -3.455   7.397
  718    HZ   PHE  87           HZ       PHE  87  16.286  -1.676   8.559
  719    H    ARG  88           H        ARG  88  16.800  -4.766   2.842
  720    HA   ARG  88           HA       ARG  88  18.737  -5.571   4.606
  721   1HB   ARG  88          1HB       ARG  88  16.708  -6.837   3.873
  722   2HB   ARG  88          2HB       ARG  88  17.592  -7.413   2.464
  723   1HG   ARG  88          1HG       ARG  88  18.531  -7.893   5.339
  724   2HG   ARG  88          2HG       ARG  88  17.344  -8.898   4.527
  725   1HD   ARG  88          1HD       ARG  88  19.301 -10.105   4.283
  726   2HD   ARG  88          2HD       ARG  88  19.029  -9.362   2.691
  727    HE   ARG  88           HE       ARG  88  20.702  -7.656   4.257
  728   1HH1  ARG  88          2HH2      ARG  88  20.927 -10.736   2.583
  729   2HH1  ARG  88          1HH2      ARG  88  22.543 -10.466   2.001
  730   1HH2  ARG  88          2HH1      ARG  88  22.777  -7.231   3.525
  731   2HH2  ARG  88          1HH1      ARG  88  23.653  -8.388   2.595
  732    H    HIS  89           H        HIS  89  18.948  -5.659   1.062
  733    HA   HIS  89           HA       HIS  89  21.427  -7.075   0.901
  734   1HB   HIS  89          1HB       HIS  89  19.529  -6.524  -0.840
  735   2HB   HIS  89          2HB       HIS  89  20.395  -5.022  -1.112
  736    HD1  HIS  89          1HD       HIS  89  23.367  -6.006  -1.554
  737    HD2  HIS  89          2HD       HIS  89  19.818  -7.801  -2.968
  738    HE1  HIS  89          1HE       HIS  89  23.959  -7.201  -3.697
  739    H    LYS  90           H        LYS  90  20.710  -3.710   1.579
  740    HA   LYS  90           HA       LYS  90  23.591  -2.954   1.208
  741   1HB   LYS  90          1HB       LYS  90  21.094  -1.384   1.800
  742   2HB   LYS  90          2HB       LYS  90  22.740  -0.709   1.997
  743   1HG   LYS  90          1HG       LYS  90  23.199  -1.336  -0.386
  744   2HG   LYS  90          2HG       LYS  90  21.493  -1.770  -0.547
  745   1HD   LYS  90          1HD       LYS  90  20.847   0.551   0.028
  746   2HD   LYS  90          2HD       LYS  90  22.549   0.962   0.330
  747   1HE   LYS  90          1HE       LYS  90  23.112   0.521  -2.040
  748   2HE   LYS  90          2HE       LYS  90  21.421   0.100  -2.383
  749   1HZ   LYS  90          3HZ       LYS  90  22.290   2.730  -1.373
  750   2HZ   LYS  90          1HZ       LYS  90  21.973   2.431  -2.958
  751   3HZ   LYS  90          2HZ       LYS  90  20.785   2.326  -1.842
  752    H    LEU  91           H        LEU  91  21.250  -3.730   3.805
  753    HA   LEU  91           HA       LEU  91  22.979  -3.071   5.890
  754   1HB   LEU  91          1HB       LEU  91  21.255  -5.565   5.803
  755   2HB   LEU  91          2HB       LEU  91  21.918  -4.790   7.229
  756    HG   LEU  91           HG       LEU  91  19.842  -3.525   5.384
  757   1HD1  LEU  91          2HD1      LEU  91  19.143  -5.545   6.735
  758   2HD1  LEU  91          3HD1      LEU  91  19.476  -4.581   8.185
  759   3HD1  LEU  91          1HD1      LEU  91  18.239  -4.039   7.017
  760   1HD2  LEU  91          2HD2      LEU  91  21.025  -2.647   8.029
  761   2HD2  LEU  91          3HD2      LEU  91  21.138  -1.778   6.468
  762   3HD2  LEU  91          1HD2      LEU  91  19.584  -1.924   7.296
  763    H    ALA  92           H        ALA  92  24.926  -3.972   6.433
  764    HA   ALA  92           HA       ALA  92  26.703  -5.314   6.460
  765   1HB   ALA  92          1HB       ALA  92  25.344  -7.306   5.562
  766   2HB   ALA  92          2HB       ALA  92  25.780  -6.735   3.926
  767   3HB   ALA  92          3HB       ALA  92  27.046  -7.247   5.047
  768    H    MET  93           H        MET  93  25.832  -2.922   4.713
  769    HA   MET  93           HA       MET  93  28.630  -2.417   4.084
  770   1HB   MET  93          1HB       MET  93  27.330  -3.508   2.006
  771   2HB   MET  93          2HB       MET  93  26.690  -1.873   1.817
  772   1HG   MET  93          1HG       MET  93  29.138  -1.078   1.814
  773   2HG   MET  93          2HG       MET  93  29.600  -2.779   1.784
  774   1HE   MET  93          1HE       MET  93  29.123  -4.381  -0.271
  775   2HE   MET  93          2HE       MET  93  27.381  -4.008  -0.243
  776   3HE   MET  93          3HE       MET  93  28.291  -3.866  -1.758
  777    H    ASP  94           H        ASP  94  26.287  -1.330   5.740
  778    HA   ASP  94           HA       ASP  94  27.148   1.312   5.894
  779   1HB   ASP  94          1HB       ASP  94  25.617   1.312   3.619
  780   2HB   ASP  94          2HB       ASP  94  24.335   1.518   4.804
  781    H    THR  95           H        THR  95  24.264  -0.661   5.951
  782    HA   THR  95           HA       THR  95  23.210  -1.721   7.626
  783    HB   THR  95           HB       THR  95  25.132  -0.455   9.569
  784    HG1  THR  95          1HG       THR  95  26.488  -2.143   8.978
  785   1HG2  THR  95          2HG2      THR  95  23.633  -3.119   9.567
  786   2HG2  THR  95          3HG2      THR  95  24.817  -2.600  10.785
  787   3HG2  THR  95          1HG2      THR  95  23.283  -1.728  10.616
  788    H    TYR  96           H        TYR  96  23.765   1.715   8.274
  789    HA   TYR  96           HA       TYR  96  20.811   1.927   8.634
  790   1HB   TYR  96          1HB       TYR  96  22.929   3.337  10.312
  791   2HB   TYR  96          2HB       TYR  96  21.262   3.878  10.195
  792    HD1  TYR  96          2HD       TYR  96  19.349   2.469  11.032
  793    HD2  TYR  96          1HD       TYR  96  23.459   1.324  11.630
  794    HE1  TYR  96          2HE       TYR  96  18.675   1.050  12.940
  795    HE2  TYR  96          1HE       TYR  96  22.759  -0.194  13.460
  796    HH   TYR  96           HH       TYR  96  19.433  -0.270  14.706
  797    H    LYS  97           H        LYS  97  20.971   4.862   8.501
  798    HA   LYS  97           HA       LYS  97  20.995   6.442   6.947
  799   1HB   LYS  97          1HB       LYS  97  23.720   5.312   6.404
  800   2HB   LYS  97          2HB       LYS  97  23.152   7.004   6.282
  801   1HG   LYS  97          1HG       LYS  97  22.979   7.146   8.700
  802   2HG   LYS  97          2HG       LYS  97  23.465   5.437   8.878
  803   1HD   LYS  97          1HD       LYS  97  25.571   5.980   7.586
  804   2HD   LYS  97          2HD       LYS  97  25.181   7.690   7.764
  805   1HE   LYS  97          1HE       LYS  97  25.682   5.642   9.982
  806   2HE   LYS  97          2HE       LYS  97  26.796   6.902   9.457
  807   1HZ   LYS  97          2HZ       LYS  97  25.212   8.558  10.174
  808   2HZ   LYS  97          3HZ       LYS  97  24.157   7.452  10.701
  809   3HZ   LYS  97          1HZ       LYS  97  25.618   7.577  11.437
  810    H    LEU  98           H        LEU  98  19.410   4.744   5.839
  811    HA   LEU  98           HA       LEU  98  19.881   4.940   3.100
  812   1HB   LEU  98          1HB       LEU  98  20.104   2.705   2.355
  813   2HB   LEU  98          2HB       LEU  98  21.341   2.888   3.586
  814    HG   LEU  98           HG       LEU  98  18.619   1.557   4.097
  815   1HD1  LEU  98          3HD1      LEU  98  21.307   0.398   3.367
  816   2HD1  LEU  98          1HD1      LEU  98  19.912  -0.558   3.900
  817   3HD1  LEU  98          2HD1      LEU  98  19.817   0.365   2.383
  818   1HD2  LEU  98          1HD2      LEU  98  19.876   2.326   6.169
  819   2HD2  LEU  98          2HD2      LEU  98  19.699   0.575   6.051
  820   3HD2  LEU  98          3HD2      LEU  98  21.240   1.319   5.626
  821    H    ASN  99           H        ASN  99  17.807   5.426   5.201
  822    HA   ASN  99           HA       ASN  99  15.481   3.892   4.220
  823   1HB   ASN  99          2HB       ASN  99  15.452   4.569   6.574
  824   2HB   ASN  99          3HB       ASN  99  15.711   6.265   6.112
  825   1HD2  ASN  99          2HD2      ASN  99  12.164   6.526   6.244
  826   2HD2  ASN  99          1HD2      ASN  99  13.675   7.047   6.954
   
  No H/Q in entry =         826
  Start of MODEL   10
    1   1H    MET   0          3H        MET   0  11.681  17.823 -13.972
    2   2H    MET   0          1H        MET   0  10.790  17.700 -15.334
    3   3H    MET   0          2H        MET   0  10.457  18.863 -14.180
    4    HA   MET   0           HA       MET   0   8.823  17.218 -13.916
    5   1HB   MET   0          2HB       MET   0   9.463  14.838 -13.449
    6   2HB   MET   0          3HB       MET   0   9.692  15.404 -15.097
    7   1HG   MET   0          2HG       MET   0  11.544  14.010 -14.518
    8   2HG   MET   0          3HG       MET   0  12.116  15.646 -14.733
    9   1HE   MET   0          3HE       MET   0  11.578  12.662 -12.401
   10   2HE   MET   0          1HE       MET   0  12.008  13.291 -10.801
   11   3HE   MET   0          2HE       MET   0  10.483  13.794 -11.574
   12    H    ALA   1           H        ALA   1   8.190  16.281 -11.760
   13    HA   ALA   1           HA       ALA   1  10.011  16.478  -9.562
   14   1HB   ALA   1          2HB       ALA   1   9.463  18.926  -9.874
   15   2HB   ALA   1          3HB       ALA   1   7.754  18.516  -9.717
   16   3HB   ALA   1          1HB       ALA   1   8.845  18.288  -8.343
   17    H    ARG   2           H        ARG   2   8.859  16.030  -7.510
   18    HA   ARG   2           HA       ARG   2   7.607  14.611  -6.254
   19   1HB   ARG   2          1HB       ARG   2   5.480  15.752  -8.097
   20   2HB   ARG   2          2HB       ARG   2   5.098  14.618  -6.810
   21   1HG   ARG   2          1HG       ARG   2   6.721  17.051  -6.093
   22   2HG   ARG   2          2HG       ARG   2   5.002  17.223  -6.445
   23   1HD   ARG   2          1HD       ARG   2   4.637  15.239  -4.745
   24   2HD   ARG   2          2HD       ARG   2   6.316  15.525  -4.277
   25    HE   ARG   2           HE       ARG   2   5.637  17.359  -3.090
   26   1HH1  ARG   2          2HH2      ARG   2   3.088  16.675  -5.551
   27   2HH1  ARG   2          1HH2      ARG   2   2.097  17.984  -4.929
   28   1HH2  ARG   2          2HH1      ARG   2   4.081  18.901  -2.241
   29   2HH2  ARG   2          1HH1      ARG   2   2.637  19.188  -3.204
   30    H    ILE   3           H        ILE   3   9.048  12.975  -7.462
   31    HA   ILE   3           HA       ILE   3   7.554  11.004  -9.034
   32    HB   ILE   3           HB       ILE   3   9.475   9.552  -8.624
   33   1HG1  ILE   3          1HG1      ILE   3  11.294  11.629  -7.594
   34   2HG1  ILE   3          2HG1      ILE   3  10.042  11.226  -6.416
   35   1HG2  ILE   3          3HG2      ILE   3   9.401  11.135 -10.538
   36   2HG2  ILE   3          1HG2      ILE   3  10.209  12.359  -9.552
   37   3HG2  ILE   3          2HG2      ILE   3  11.053  10.855  -9.975
   38   1HD1  ILE   3          3HD1      ILE   3  10.641   8.831  -6.597
   39   2HD1  ILE   3          1HD1      ILE   3  11.873   9.271  -7.803
   40   3HD1  ILE   3          2HD1      ILE   3  12.029   9.836  -6.125
   41    H    ASP   4           H        ASP   4   5.673  11.095  -7.623
   42    HA   ASP   4           HA       ASP   4   4.381  10.669  -5.778
   43   1HB   ASP   4          1HB       ASP   4   5.209   8.208  -7.246
   44   2HB   ASP   4          2HB       ASP   4   4.143   8.117  -5.854
   45    HA   PRO   5           HA       PRO   5   7.392   9.955  -2.320
   46   1HB   PRO   5          1HB       PRO   5   6.273  11.797  -0.634
   47   2HB   PRO   5          2HB       PRO   5   7.519  12.175  -1.859
   48   1HG   PRO   5          1HG       PRO   5   4.517  12.503  -2.160
   49   2HG   PRO   5          2HG       PRO   5   5.788  13.716  -2.505
   50   1HD   PRO   5          1HD       PRO   5   4.740  12.244  -4.452
   51   2HD   PRO   5          2HD       PRO   5   6.504  12.506  -4.443
   52    H    THR   6           H        THR   6   6.722   7.968  -1.620
   53    HA   THR   6           HA       THR   6   4.034   7.648  -0.342
   54    HB   THR   6           HB       THR   6   4.218   5.326  -1.527
   55    HG1  THR   6          1HG       THR   6   5.694   6.821  -3.406
   56   1HG2  THR   6          3HG2      THR   6   3.668   7.849  -3.152
   57   2HG2  THR   6          1HG2      THR   6   3.146   6.207  -3.560
   58   3HG2  THR   6          2HG2      THR   6   2.511   7.005  -2.110
   59    H    LYS   7           H        LYS   7   6.883   7.996   0.777
   60    HA   LYS   7           HA       LYS   7   7.247   5.409   2.184
   61   1HB   LYS   7          1HB       LYS   7   9.178   6.307   1.031
   62   2HB   LYS   7          2HB       LYS   7   9.052   7.840   1.890
   63   1HG   LYS   7          1HG       LYS   7   9.493   5.193   3.343
   64   2HG   LYS   7          2HG       LYS   7  10.809   6.082   2.578
   65   1HD   LYS   7          1HD       LYS   7  10.163   8.116   3.987
   66   2HD   LYS   7          2HD       LYS   7   9.122   7.019   4.917
   67   1HE   LYS   7          1HE       LYS   7  11.147   5.539   5.295
   68   2HE   LYS   7          2HE       LYS   7  12.143   6.793   4.549
   69   1HZ   LYS   7          3HZ       LYS   7  10.546   7.162   7.037
   70   2HZ   LYS   7          1HZ       LYS   7  12.158   6.933   6.951
   71   3HZ   LYS   7          2HZ       LYS   7  11.501   8.288   6.342
   72    H    LYS   8           H        LYS   8   5.614   5.554   3.635
   73    HA   LYS   8           HA       LYS   8   4.771   5.881   5.671
   74   1HB   LYS   8          1HB       LYS   8   7.336   6.151   5.978
   75   2HB   LYS   8          2HB       LYS   8   6.997   7.847   6.343
   76   1HG   LYS   8          1HG       LYS   8   5.733   5.466   7.786
   77   2HG   LYS   8          2HG       LYS   8   7.313   6.114   8.197
   78   1HD   LYS   8          1HD       LYS   8   6.382   8.315   8.710
   79   2HD   LYS   8          2HD       LYS   8   4.738   7.753   8.358
   80   1HE   LYS   8          1HE       LYS   8   4.800   6.110  10.124
   81   2HE   LYS   8          2HE       LYS   8   6.533   6.359  10.382
   82   1HZ   LYS   8          2HZ       LYS   8   6.024   8.560  11.244
   83   2HZ   LYS   8          3HZ       LYS   8   4.402   8.305  11.054
   84   3HZ   LYS   8          1HZ       LYS   8   5.251   7.379  12.059
   85    H    GLY   9           H        GLY   9   3.219   7.160   6.750
   86   1HA   GLY   9          1HA       GLY   9   2.160   9.172   7.346
   87   2HA   GLY   9          2HA       GLY   9   3.013  10.037   6.062
   88    H    ARG  10           H        ARG  10   0.195   8.397   6.925
   89    HA   ARG  10           HA       ARG  10  -1.808   7.994   5.981
   90   1HB   ARG  10          1HB       ARG  10  -0.747   9.711   3.732
   91   2HB   ARG  10          2HB       ARG  10  -1.940   8.496   3.316
   92   1HG   ARG  10          1HG       ARG  10  -3.307  10.260   3.761
   93   2HG   ARG  10          2HG       ARG  10  -3.337   9.416   5.296
   94   1HD   ARG  10          1HD       ARG  10  -2.956  11.569   6.025
   95   2HD   ARG  10          2HD       ARG  10  -1.283  11.027   5.872
   96    HE   ARG  10           HE       ARG  10  -2.536  12.322   3.488
   97   1HH1  ARG  10          2HH2      ARG  10  -0.226  12.896   6.093
   98   2HH1  ARG  10          1HH2      ARG  10  -0.340  14.632   5.927
   99   1HH2  ARG  10          2HH1      ARG  10  -2.255  14.433   3.009
  100   2HH2  ARG  10          1HH1      ARG  10  -1.258  15.477   4.004
  101    H    ARG  11           H        ARG  11   0.899   7.209   3.761
  102    HA   ARG  11           HA       ARG  11  -0.149   4.863   2.727
  103   1HB   ARG  11          1HB       ARG  11   1.948   6.005   2.045
  104   2HB   ARG  11          2HB       ARG  11   2.737   5.438   3.517
  105   1HG   ARG  11          1HG       ARG  11   1.454   3.293   1.854
  106   2HG   ARG  11          2HG       ARG  11   2.643   4.254   1.006
  107   1HD   ARG  11          1HD       ARG  11   3.912   3.606   3.492
  108   2HD   ARG  11          2HD       ARG  11   3.095   2.139   2.975
  109    HE   ARG  11           HE       ARG  11   5.183   3.702   1.542
  110   1HH1  ARG  11          2HH2      ARG  11   3.532   0.577   1.525
  111   2HH1  ARG  11          1HH2      ARG  11   3.332   0.584  -0.227
  112   1HH2  ARG  11          2HH1      ARG  11   5.690   3.242  -0.568
  113   2HH2  ARG  11          1HH1      ARG  11   4.793   2.066  -1.485
  114    H    ASN  12           H        ASN  12   0.012   2.736   3.396
  115    HA   ASN  12           HA       ASN  12  -0.117   0.963   4.809
  116   1HB   ASN  12          1HB       ASN  12   2.345   1.923   5.211
  117   2HB   ASN  12          2HB       ASN  12   1.731   2.215   6.835
  118   1HD2  ASN  12          2HD2      ASN  12   1.808  -1.245   7.669
  119   2HD2  ASN  12          1HD2      ASN  12   0.865   0.219   8.020
  120    H    ARG  13           H        ARG  13  -1.644   3.752   5.544
  121    HA   ARG  13           HA       ARG  13  -2.570   3.422   8.178
  122   1HB   ARG  13          1HB       ARG  13  -4.627   4.471   7.376
  123   2HB   ARG  13          2HB       ARG  13  -3.206   5.312   6.770
  124   1HG   ARG  13          1HG       ARG  13  -3.583   3.917   4.566
  125   2HG   ARG  13          2HG       ARG  13  -5.151   3.504   5.293
  126   1HD   ARG  13          1HD       ARG  13  -5.333   6.142   5.570
  127   2HD   ARG  13          2HD       ARG  13  -4.155   6.171   4.264
  128    HE   ARG  13           HE       ARG  13  -6.984   5.569   4.144
  129   1HH1  ARG  13          2HH2      ARG  13  -4.050   5.272   2.211
  130   2HH1  ARG  13          1HH2      ARG  13  -4.951   4.744   0.850
  131   1HH2  ARG  13          2HH1      ARG  13  -8.019   4.724   2.400
  132   2HH2  ARG  13          1HH1      ARG  13  -7.147   3.784   1.191
  133    H    PHE  14           H        PHE  14  -3.388   1.778   5.218
  134    HA   PHE  14           HA       PHE  14  -5.501   0.081   6.227
  135   1HB   PHE  14          1HB       PHE  14  -5.462   0.600   3.895
  136   2HB   PHE  14          2HB       PHE  14  -3.763   0.147   3.748
  137    HD1  PHE  14          2HD       PHE  14  -7.151  -1.309   4.468
  138    HD2  PHE  14          1HD       PHE  14  -3.067  -2.059   3.270
  139    HE1  PHE  14          2HE       PHE  14  -7.691  -3.698   4.024
  140    HE2  PHE  14          1HE       PHE  14  -3.678  -4.394   2.698
  141    HZ   PHE  14           HZ       PHE  14  -5.929  -5.215   3.149
  142    H    LYS  15           H        LYS  15  -5.180  -1.557   7.600
  143    HA   LYS  15           HA       LYS  15  -2.604  -3.037   7.693
  144   1HB   LYS  15          1HB       LYS  15  -3.261  -3.817   9.852
  145   2HB   LYS  15          2HB       LYS  15  -3.526  -2.078   9.790
  146   1HG   LYS  15          1HG       LYS  15  -5.532  -2.624  10.736
  147   2HG   LYS  15          2HG       LYS  15  -6.018  -2.881   9.068
  148   1HD   LYS  15          1HD       LYS  15  -5.076  -5.388   9.660
  149   2HD   LYS  15          2HD       LYS  15  -5.406  -4.822  11.291
  150   1HE   LYS  15          1HE       LYS  15  -7.428  -5.892  10.539
  151   2HE   LYS  15          2HE       LYS  15  -7.754  -4.156  10.496
  152   1HZ   LYS  15          1HZ       LYS  15  -7.099  -4.374   8.029
  153   2HZ   LYS  15          2HZ       LYS  15  -7.134  -5.964   8.272
  154   3HZ   LYS  15          3HZ       LYS  15  -8.528  -5.114   8.494
  155    H    TRP  16           H        TRP  16  -2.546  -5.220   7.235
  156    HA   TRP  16           HA       TRP  16  -4.639  -6.369   5.568
  157   1HB   TRP  16          1HB       TRP  16  -1.928  -7.378   6.579
  158   2HB   TRP  16          2HB       TRP  16  -2.981  -8.296   5.524
  159    HD1  TRP  16           HD       TRP  16  -1.412  -4.733   5.403
  160    HE1  TRP  16          1HE       TRP  16  -0.702  -4.235   3.010
  161    HE3  TRP  16          3HE       TRP  16  -2.974  -9.075   3.158
  162    HZ2  TRP  16          2HZ       TRP  16  -1.041  -5.417   0.406
  163    HZ3  TRP  16          3HZ       TRP  16  -2.866  -9.300   0.715
  164    HH2  TRP  16           HH       TRP  16  -2.046  -7.417  -0.677
  165    H    GLY  17           H        GLY  17  -3.228  -8.767   7.571
  166   1HA   GLY  17          1HA       GLY  17  -4.734  -8.807   9.939
  167   2HA   GLY  17          2HA       GLY  17  -5.678  -9.618   8.656
  168    HA   PRO  18           HA       PRO  18  -2.332 -12.666   9.908
  169   1HB   PRO  18          1HB       PRO  18  -3.840 -14.522  11.255
  170   2HB   PRO  18          2HB       PRO  18  -3.126 -13.121  12.104
  171   1HG   PRO  18          1HG       PRO  18  -5.945 -13.397  11.022
  172   2HG   PRO  18          2HG       PRO  18  -5.458 -12.861  12.654
  173   1HD   PRO  18          1HD       PRO  18  -6.055 -11.103  10.630
  174   2HD   PRO  18          2HD       PRO  18  -4.790 -10.733  11.838
  175    H    ALA  19           H        ALA  19  -2.367 -14.697   8.757
  176    HA   ALA  19           HA       ALA  19  -2.764 -16.269   7.301
  177   1HB   ALA  19          2HB       ALA  19  -4.967 -16.490   8.391
  178   2HB   ALA  19          3HB       ALA  19  -5.640 -15.361   7.188
  179   3HB   ALA  19          1HB       ALA  19  -4.953 -16.914   6.658
  180    H    SER  20           H        SER  20  -4.607 -13.465   6.534
  181    HA   SER  20           HA       SER  20  -4.321 -12.838   3.867
  182   1HB   SER  20          1HB       SER  20  -5.298 -11.552   5.968
  183   2HB   SER  20          2HB       SER  20  -3.685 -10.947   6.174
  184    HG   SER  20           HG       SER  20  -5.541 -10.311   4.253
  185    H    GLN  21           H        GLN  21  -1.983 -11.949   6.442
  186    HA   GLN  21           HA       GLN  21   0.031 -11.193   4.550
  187   1HB   GLN  21          1HB       GLN  21   1.336 -10.585   6.472
  188   2HB   GLN  21          2HB       GLN  21  -0.349 -10.079   6.678
  189   1HG   GLN  21          1HG       GLN  21  -0.666 -12.204   8.103
  190   2HG   GLN  21          2HG       GLN  21   1.082 -12.393   7.978
  191   1HE2  GLN  21          2HE2      GLN  21  -0.422  -9.184  10.114
  192   2HE2  GLN  21          1HE2      GLN  21  -1.305  -9.853   8.744
  193    H    GLN  22           H        GLN  22  -0.738 -14.282   5.968
  194    HA   GLN  22           HA       GLN  22   1.947 -15.393   5.723
  195   1HB   GLN  22          1HB       GLN  22   0.219 -16.368   7.270
  196   2HB   GLN  22          2HB       GLN  22  -0.725 -16.848   5.849
  197   1HG   GLN  22          1HG       GLN  22   0.537 -18.756   6.597
  198   2HG   GLN  22          2HG       GLN  22   1.206 -18.229   5.057
  199   1HE2  GLN  22          2HE2      GLN  22   3.498 -18.059   8.447
  200   2HE2  GLN  22          1HE2      GLN  22   1.793 -18.465   8.558
  201    H    ILE  23           H        ILE  23  -1.079 -15.205   3.834
  202    HA   ILE  23           HA       ILE  23  -0.090 -16.635   1.579
  203    HB   ILE  23           HB       ILE  23  -2.434 -14.910   2.262
  204   1HG1  ILE  23          1HG1      ILE  23  -2.103 -17.603   0.854
  205   2HG1  ILE  23          2HG1      ILE  23  -2.110 -17.412   2.615
  206   1HG2  ILE  23          1HG2      ILE  23  -1.772 -15.576  -0.621
  207   2HG2  ILE  23          2HG2      ILE  23  -3.301 -14.897  -0.006
  208   3HG2  ILE  23          3HG2      ILE  23  -1.836 -13.943   0.099
  209   1HD1  ILE  23          2HD1      ILE  23  -4.356 -16.412   2.502
  210   2HD1  ILE  23          3HD1      ILE  23  -4.388 -16.753   0.750
  211   3HD1  ILE  23          1HD1      ILE  23  -4.271 -18.093   1.905
  212    H    LEU  24           H        LEU  24   0.042 -13.128   2.378
  213    HA   LEU  24           HA       LEU  24   1.505 -12.398   0.040
  214   1HB   LEU  24          1HB       LEU  24   1.684 -11.383   2.886
  215   2HB   LEU  24          2HB       LEU  24   2.731 -10.778   1.610
  216    HG   LEU  24           HG       LEU  24  -0.313 -10.673   1.430
  217   1HD1  LEU  24          1HD1      LEU  24   1.800  -8.890   2.618
  218   2HD1  LEU  24          2HD1      LEU  24   0.384  -8.138   1.872
  219   3HD1  LEU  24          3HD1      LEU  24   0.193  -9.261   3.235
  220   1HD2  LEU  24          2HD2      LEU  24   1.950  -9.358  -0.162
  221   2HD2  LEU  24          3HD2      LEU  24   0.761 -10.527  -0.783
  222   3HD2  LEU  24          1HD2      LEU  24   0.237  -8.920  -0.303
  223    H    PHE  25           H        PHE  25   2.786 -13.943   3.071
  224    HA   PHE  25           HA       PHE  25   5.480 -14.047   2.067
  225   1HB   PHE  25          1HB       PHE  25   4.070 -15.833   4.083
  226   2HB   PHE  25          2HB       PHE  25   5.664 -16.170   3.476
  227    HD1  PHE  25          1HD       PHE  25   7.564 -14.592   3.784
  228    HD2  PHE  25          2HD       PHE  25   3.805 -14.165   5.856
  229    HE1  PHE  25          1HE       PHE  25   8.642 -13.117   5.456
  230    HE2  PHE  25          2HE       PHE  25   4.875 -12.642   7.488
  231    HZ   PHE  25           HZ       PHE  25   7.302 -12.122   7.298
  232    H    GLN  26           H        GLN  26   2.768 -16.437   1.676
  233    HA   GLN  26           HA       GLN  26   4.363 -18.312   0.320
  234   1HB   GLN  26          1HB       GLN  26   2.629 -19.571  -0.047
  235   2HB   GLN  26          2HB       GLN  26   1.851 -18.515   1.116
  236   1HG   GLN  26          1HG       GLN  26   0.561 -17.455  -0.508
  237   2HG   GLN  26          2HG       GLN  26   1.608 -17.994  -1.838
  238   1HE2  GLN  26          2HE2      GLN  26  -1.450 -20.362  -1.268
  239   2HE2  GLN  26          1HE2      GLN  26  -1.437 -18.654  -0.987
  240    H    ALA  27           H        ALA  27   2.409 -15.689  -1.037
  241    HA   ALA  27           HA       ALA  27   3.114 -16.217  -3.745
  242   1HB   ALA  27          3HB       ALA  27   1.106 -14.994  -3.033
  243   2HB   ALA  27          1HB       ALA  27   2.151 -13.656  -2.467
  244   3HB   ALA  27          2HB       ALA  27   2.082 -14.073  -4.205
  245    H    TYR  28           H        TYR  28   4.630 -14.128  -1.228
  246    HA   TYR  28           HA       TYR  28   6.346 -12.797  -3.093
  247   1HB   TYR  28          1HB       TYR  28   5.892 -12.063  -0.709
  248   2HB   TYR  28          2HB       TYR  28   6.967 -13.354  -0.161
  249    HD1  TYR  28          2HD       TYR  28   6.801 -10.528  -2.614
  250    HD2  TYR  28          1HD       TYR  28   9.319 -12.758   0.072
  251    HE1  TYR  28          2HE       TYR  28   8.720  -9.124  -3.264
  252    HE2  TYR  28          1HE       TYR  28  11.207 -11.227  -0.449
  253    HH   TYR  28           HH       TYR  28  11.904  -9.367  -1.711
  254    H    GLU  29           H        GLU  29   6.735 -15.754  -1.066
  255    HA   GLU  29           HA       GLU  29   9.367 -16.295  -1.937
  256   1HB   GLU  29          1HB       GLU  29   7.897 -17.467  -0.070
  257   2HB   GLU  29          2HB       GLU  29   7.366 -18.518  -1.397
  258   1HG   GLU  29          1HG       GLU  29   9.244 -19.619  -0.543
  259   2HG   GLU  29          2HG       GLU  29   9.947 -18.758  -1.898
  260    H    ARG  30           H        ARG  30   6.182 -17.231  -3.295
  261    HA   ARG  30           HA       ARG  30   7.364 -18.941  -5.218
  262   1HB   ARG  30          1HB       ARG  30   4.607 -17.630  -5.028
  263   2HB   ARG  30          2HB       ARG  30   5.027 -18.770  -6.312
  264   1HG   ARG  30          1HG       ARG  30   5.223 -20.590  -4.861
  265   2HG   ARG  30          2HG       ARG  30   5.456 -19.584  -3.430
  266   1HD   ARG  30          1HD       ARG  30   3.236 -20.696  -3.490
  267   2HD   ARG  30          2HD       ARG  30   3.141 -18.935  -3.365
  268    HE   ARG  30           HE       ARG  30   2.843 -19.050  -5.970
  269   1HH1  ARG  30          2HH2      ARG  30   1.075 -20.833  -3.408
  270   2HH1  ARG  30          1HH2      ARG  30  -0.175 -21.293  -4.550
  271   1HH2  ARG  30          2HH1      ARG  30   0.978 -19.443  -7.208
  272   2HH2  ARG  30          1HH1      ARG  30  -0.234 -20.556  -6.603
  273    H    GLN  31           H        GLN  31   5.670 -15.798  -5.611
  274    HA   GLN  31           HA       GLN  31   7.322 -15.055  -7.962
  275   1HB   GLN  31          1HB       GLN  31   4.437 -14.448  -7.321
  276   2HB   GLN  31          2HB       GLN  31   5.266 -13.950  -8.794
  277   1HG   GLN  31          1HG       GLN  31   5.116 -16.936  -8.100
  278   2HG   GLN  31          2HG       GLN  31   3.759 -16.074  -8.734
  279   1HE2  GLN  31          2HE2      GLN  31   4.773 -16.992 -11.893
  280   2HE2  GLN  31          1HE2      GLN  31   3.612 -17.134 -10.581
  281    H    LYS  32           H        LYS  32   8.425 -14.249  -5.694
  282    HA   LYS  32           HA       LYS  32   8.176 -11.973  -4.457
  283   1HB   LYS  32          1HB       LYS  32  10.627 -11.536  -4.879
  284   2HB   LYS  32          2HB       LYS  32  10.210 -13.136  -4.322
  285   1HG   LYS  32          1HG       LYS  32  10.190 -13.515  -7.111
  286   2HG   LYS  32          2HG       LYS  32  11.363 -12.238  -6.911
  287   1HD   LYS  32          1HD       LYS  32  12.506 -14.357  -6.885
  288   2HD   LYS  32          2HD       LYS  32  12.622 -13.634  -5.280
  289   1HE   LYS  32          1HE       LYS  32  12.218 -16.080  -5.186
  290   2HE   LYS  32          2HE       LYS  32  10.929 -15.196  -4.391
  291   1HZ   LYS  32          1HZ       LYS  32  10.726 -16.334  -7.141
  292   2HZ   LYS  32          2HZ       LYS  32  10.077 -16.933  -5.725
  293   3HZ   LYS  32          3HZ       LYS  32   9.566 -15.540  -6.343
  294    H    ASN  33           H        ASN  33   8.588 -12.035  -7.953
  295    HA   ASN  33           HA       ASN  33   8.094  -9.073  -8.055
  296   1HB   ASN  33          1HB       ASN  33   8.997 -10.954 -10.257
  297   2HB   ASN  33          2HB       ASN  33   8.645  -9.230 -10.412
  298   1HD2  ASN  33          2HD2      ASN  33  11.694  -9.151  -7.819
  299   2HD2  ASN  33          1HD2      ASN  33  10.003  -9.246  -7.441
  300    HA   PRO  34           HA       PRO  34   4.074 -10.863  -8.120
  301   1HB   PRO  34          1HB       PRO  34   2.487  -8.670  -8.478
  302   2HB   PRO  34          2HB       PRO  34   3.443  -8.933  -6.995
  303   1HG   PRO  34          1HG       PRO  34   4.172  -7.212  -9.389
  304   2HG   PRO  34          2HG       PRO  34   4.235  -6.767  -7.669
  305   1HD   PRO  34          1HD       PRO  34   6.425  -7.652  -9.067
  306   2HD   PRO  34          2HD       PRO  34   6.211  -8.035  -7.341
  307    H    SER  35           H        SER  35   4.104 -12.190  -9.969
  308    HA   SER  35           HA       SER  35   4.873 -11.238 -12.432
  309   1HB   SER  35          1HB       SER  35   4.052 -13.483 -13.249
  310   2HB   SER  35          2HB       SER  35   5.178 -13.534 -11.883
  311    HG   SER  35           HG       SER  35   3.397 -14.896 -11.512
  312    H    LYS  36           H        LYS  36   1.755 -12.816 -12.087
  313    HA   LYS  36           HA       LYS  36   0.207 -10.609 -13.078
  314   1HB   LYS  36          1HB       LYS  36   1.606 -11.555 -15.160
  315   2HB   LYS  36          2HB       LYS  36   0.523 -12.922 -15.081
  316   1HG   LYS  36          1HG       LYS  36  -0.401 -11.433 -16.653
  317   2HG   LYS  36          2HG       LYS  36  -1.411 -11.265 -15.236
  318   1HD   LYS  36          1HD       LYS  36  -1.039  -9.010 -15.396
  319   2HD   LYS  36          2HD       LYS  36   0.545  -9.323 -14.733
  320   1HE   LYS  36          1HE       LYS  36   0.817  -7.980 -16.653
  321   2HE   LYS  36          2HE       LYS  36   1.524  -9.563 -16.991
  322   1HZ   LYS  36          2HZ       LYS  36  -1.196  -8.800 -17.866
  323   2HZ   LYS  36          3HZ       LYS  36   0.156  -8.534 -18.772
  324   3HZ   LYS  36          1HZ       LYS  36  -0.277 -10.074 -18.395
  325    H    GLU  37           H        GLU  37   0.181 -14.170 -13.503
  326    HA   GLU  37           HA       GLU  37  -2.541 -14.545 -12.855
  327   1HB   GLU  37          1HB       GLU  37  -0.030 -16.074 -13.416
  328   2HB   GLU  37          2HB       GLU  37  -0.968 -16.823 -12.174
  329   1HG   GLU  37          1HG       GLU  37  -2.876 -17.136 -13.585
  330   2HG   GLU  37          2HG       GLU  37  -2.225 -16.022 -14.811
  331    H    GLU  38           H        GLU  38   0.451 -15.215 -11.034
  332    HA   GLU  38           HA       GLU  38  -0.596 -15.846  -8.613
  333   1HB   GLU  38          1HB       GLU  38   1.868 -15.666  -9.504
  334   2HB   GLU  38          2HB       GLU  38   1.873 -14.111  -8.651
  335   1HG   GLU  38          1HG       GLU  38   2.547 -15.507  -6.892
  336   2HG   GLU  38          2HG       GLU  38   0.815 -15.611  -6.663
  337    H    ARG  39           H        ARG  39  -0.033 -12.569  -9.865
  338    HA   ARG  39           HA       ARG  39  -0.620 -11.218  -7.412
  339   1HB   ARG  39          1HB       ARG  39   0.626 -10.204  -9.242
  340   2HB   ARG  39          2HB       ARG  39  -0.758 -10.296 -10.316
  341   1HG   ARG  39          1HG       ARG  39  -1.479  -8.896  -7.830
  342   2HG   ARG  39          2HG       ARG  39  -0.021  -8.202  -8.520
  343   1HD   ARG  39          1HD       ARG  39  -2.120  -7.144  -9.287
  344   2HD   ARG  39          2HD       ARG  39  -1.114  -7.730 -10.630
  345    HE   ARG  39           HE       ARG  39  -2.867  -9.815 -10.086
  346   1HH1  ARG  39          2HH2      ARG  39  -3.363  -6.420 -10.871
  347   2HH1  ARG  39          1HH2      ARG  39  -4.811  -6.687 -11.757
  348   1HH2  ARG  39          2HH1      ARG  39  -4.799 -10.203 -11.197
  349   2HH2  ARG  39          1HH1      ARG  39  -5.596  -8.901 -12.016
  350    H    GLU  40           H        GLU  40  -2.683 -12.432 -10.060
  351    HA   GLU  40           HA       GLU  40  -5.155 -11.184  -9.153
  352   1HB   GLU  40          1HB       GLU  40  -4.137 -12.462 -11.477
  353   2HB   GLU  40          2HB       GLU  40  -5.095 -13.727 -10.774
  354   1HG   GLU  40          1HG       GLU  40  -7.005 -12.842 -11.428
  355   2HG   GLU  40          2HG       GLU  40  -6.617 -11.228 -10.841
  356    H    THR  41           H        THR  41  -3.734 -14.451  -9.035
  357    HA   THR  41           HA       THR  41  -5.479 -15.757  -7.351
  358    HB   THR  41           HB       THR  41  -2.731 -16.061  -8.245
  359    HG1  THR  41          1HG       THR  41  -4.603 -17.952  -7.291
  360   1HG2  THR  41          3HG2      THR  41  -3.198 -17.056  -5.418
  361   2HG2  THR  41          1HG2      THR  41  -1.884 -17.572  -6.505
  362   3HG2  THR  41          2HG2      THR  41  -1.948 -15.917  -5.953
  363    H    LEU  42           H        LEU  42  -2.736 -13.673  -6.364
  364    HA   LEU  42           HA       LEU  42  -2.929 -14.028  -3.648
  365   1HB   LEU  42          1HB       LEU  42  -1.868 -11.904  -5.468
  366   2HB   LEU  42          2HB       LEU  42  -2.309 -11.295  -3.888
  367    HG   LEU  42           HG       LEU  42  -0.372 -13.577  -4.391
  368   1HD1  LEU  42          3HD1      LEU  42   0.398 -11.265  -5.060
  369   2HD1  LEU  42          1HD1      LEU  42   0.051 -10.736  -3.391
  370   3HD1  LEU  42          2HD1      LEU  42   1.323 -11.921  -3.704
  371   1HD2  LEU  42          2HD2      LEU  42  -1.477 -12.248  -1.868
  372   2HD2  LEU  42          3HD2      LEU  42  -1.304 -13.981  -2.232
  373   3HD2  LEU  42          1HD2      LEU  42   0.113 -13.013  -1.856
  374    H    VAL  43           H        VAL  43  -4.751 -11.684  -5.659
  375    HA   VAL  43           HA       VAL  43  -5.964 -10.444  -3.378
  376    HB   VAL  43           HB       VAL  43  -6.853 -10.525  -6.304
  377   1HG1  VAL  43          1HG1      VAL  43  -7.718  -8.912  -3.825
  378   2HG1  VAL  43          2HG1      VAL  43  -8.161  -8.456  -5.476
  379   3HG1  VAL  43          3HG1      VAL  43  -8.762  -9.976  -4.784
  380   1HG2  VAL  43          1HG2      VAL  43  -4.630  -9.446  -5.859
  381   2HG2  VAL  43          2HG2      VAL  43  -5.876  -8.303  -6.366
  382   3HG2  VAL  43          3HG2      VAL  43  -5.404  -8.407  -4.651
  383    H    GLU  44           H        GLU  44  -7.110 -13.006  -5.602
  384    HA   GLU  44           HA       GLU  44  -9.585 -13.576  -4.319
  385   1HB   GLU  44          1HB       GLU  44  -9.179 -14.445  -6.486
  386   2HB   GLU  44          2HB       GLU  44  -7.628 -15.150  -6.020
  387   1HG   GLU  44          1HG       GLU  44  -9.397 -16.835  -6.442
  388   2HG   GLU  44          2HG       GLU  44  -8.685 -16.947  -4.829
  389    H    GLU  45           H        GLU  45  -6.585 -15.495  -3.985
  390    HA   GLU  45           HA       GLU  45  -7.131 -17.112  -1.868
  391   1HB   GLU  45          1HB       GLU  45  -4.768 -16.044  -3.121
  392   2HB   GLU  45          2HB       GLU  45  -4.500 -16.127  -1.407
  393   1HG   GLU  45          1HG       GLU  45  -5.017 -18.518  -1.396
  394   2HG   GLU  45          2HG       GLU  45  -5.433 -18.447  -3.127
  395    H    CYS  46           H        CYS  46  -5.927 -13.754  -1.680
  396    HA   CYS  46           HA       CYS  46  -5.744 -13.654   1.139
  397   1HB   CYS  46          1HB       CYS  46  -4.780 -11.872  -0.503
  398   2HB   CYS  46          2HB       CYS  46  -6.399 -11.172  -0.518
  399    HG   CYS  46           HG       CYS  46  -6.582 -11.084   2.217
  400    H    ASN  47           H        ASN  47  -8.285 -12.477  -1.046
  401    HA   ASN  47           HA       ASN  47 -10.193 -11.415   0.844
  402   1HB   ASN  47          1HB       ASN  47 -10.274 -12.470  -2.023
  403   2HB   ASN  47          2HB       ASN  47 -11.759 -12.124  -1.194
  404   1HD2  ASN  47          2HD2      ASN  47  -9.237  -8.901  -1.909
  405   2HD2  ASN  47          1HD2      ASN  47  -8.564 -10.513  -1.644
  406    H    ARG  48           H        ARG  48  -9.775 -14.617  -0.600
  407    HA   ARG  48           HA       ARG  48 -11.970 -15.989   0.486
  408   1HB   ARG  48          1HB       ARG  48 -10.186 -16.585  -1.304
  409   2HB   ARG  48          2HB       ARG  48  -9.257 -17.254   0.048
  410   1HG   ARG  48          1HG       ARG  48 -11.267 -18.696   0.581
  411   2HG   ARG  48          2HG       ARG  48 -12.068 -17.981  -0.848
  412   1HD   ARG  48          1HD       ARG  48  -9.934 -18.657  -2.162
  413   2HD   ARG  48          2HD       ARG  48  -9.526 -19.654  -0.772
  414    HE   ARG  48           HE       ARG  48 -11.679 -20.817  -1.048
  415   1HH1  ARG  48          2HH2      ARG  48 -10.957 -18.788  -3.852
  416   2HH1  ARG  48          1HH2      ARG  48 -11.299 -19.965  -5.043
  417   1HH2  ARG  48          2HH1      ARG  48 -12.248 -22.451  -2.635
  418   2HH2  ARG  48          1HH1      ARG  48 -12.218 -22.060  -4.323
  419    H    ALA  49           H        ALA  49  -8.570 -15.792   1.692
  420    HA   ALA  49           HA       ALA  49  -9.054 -17.080   4.197
  421   1HB   ALA  49          2HB       ALA  49  -6.801 -16.760   3.242
  422   2HB   ALA  49          3HB       ALA  49  -6.939 -15.004   3.476
  423   3HB   ALA  49          1HB       ALA  49  -6.922 -16.088   4.882
  424    H    GLU  50           H        GLU  50  -9.304 -13.700   3.139
  425    HA   GLU  50           HA       GLU  50  -9.639 -12.527   5.687
  426   1HB   GLU  50          1HB       GLU  50  -9.477 -11.622   3.019
  427   2HB   GLU  50          2HB       GLU  50 -11.100 -11.187   3.530
  428   1HG   GLU  50          1HG       GLU  50  -9.608  -9.381   4.036
  429   2HG   GLU  50          2HG       GLU  50 -10.007 -10.188   5.588
  430    H    CYS  51           H        CYS  51 -11.925 -13.984   3.412
  431    HA   CYS  51           HA       CYS  51 -14.256 -13.407   4.832
  432   1HB   CYS  51          1HB       CYS  51 -15.304 -14.672   3.336
  433   2HB   CYS  51          2HB       CYS  51 -13.730 -14.901   2.569
  434    HG   CYS  51           HG       CYS  51 -13.151 -17.099   3.801
  435    H    ILE  52           H        ILE  52 -11.762 -15.901   5.436
  436    HA   ILE  52           HA       ILE  52 -13.219 -17.191   7.569
  437    HB   ILE  52           HB       ILE  52 -10.211 -17.223   7.100
  438   1HG1  ILE  52          1HG1      ILE  52 -12.370 -19.094   6.010
  439   2HG1  ILE  52          2HG1      ILE  52 -11.466 -17.922   5.046
  440   1HG2  ILE  52          1HG2      ILE  52 -10.959 -17.995   9.323
  441   2HG2  ILE  52          2HG2      ILE  52 -12.040 -19.168   8.541
  442   3HG2  ILE  52          3HG2      ILE  52 -10.275 -19.296   8.359
  443   1HD1  ILE  52          1HD1      ILE  52  -9.337 -19.079   5.642
  444   2HD1  ILE  52          2HD1      ILE  52 -10.311 -20.379   6.374
  445   3HD1  ILE  52          3HD1      ILE  52 -10.469 -20.017   4.649
  446    H    GLN  53           H        GLN  53 -10.722 -14.622   7.388
  447    HA   GLN  53           HA       GLN  53 -10.234 -14.216  10.081
  448   1HB   GLN  53          1HB       GLN  53 -10.307 -12.176   7.822
  449   2HB   GLN  53          2HB       GLN  53 -10.129 -11.660   9.471
  450   1HG   GLN  53          1HG       GLN  53  -7.935 -11.826   8.632
  451   2HG   GLN  53          2HG       GLN  53  -8.165 -13.126   9.804
  452   1HE2  GLN  53          2HE2      GLN  53  -7.233 -13.956   5.914
  453   2HE2  GLN  53          1HE2      GLN  53  -7.524 -12.309   6.451
  454    H    ARG  54           H        ARG  54 -13.291 -13.349   8.468
  455    HA   ARG  54           HA       ARG  54 -14.251 -12.759  11.201
  456   1HB   ARG  54          1HB       ARG  54 -13.619 -10.580   9.836
  457   2HB   ARG  54          2HB       ARG  54 -15.101 -10.931   8.948
  458   1HG   ARG  54          1HG       ARG  54 -15.895 -11.293  11.605
  459   2HG   ARG  54          2HG       ARG  54 -14.695 -10.013  11.770
  460   1HD   ARG  54          1HD       ARG  54 -17.080 -10.056   9.851
  461   2HD   ARG  54          2HD       ARG  54 -17.085  -9.266  11.442
  462    HE   ARG  54           HE       ARG  54 -14.862  -8.236  10.006
  463   1HH1  ARG  54          2HH2      ARG  54 -18.355  -8.342   9.597
  464   2HH1  ARG  54          1HH2      ARG  54 -18.539  -6.684   9.108
  465   1HH2  ARG  54          2HH1      ARG  54 -15.071  -5.981   9.579
  466   2HH2  ARG  54          1HH1      ARG  54 -16.546  -5.278   9.024
  467    H    GLY  55           H        GLY  55 -14.533 -15.049   9.459
  468   1HA   GLY  55          1HA       GLY  55 -16.120 -16.377   8.465
  469   2HA   GLY  55          2HA       GLY  55 -17.117 -15.861   9.835
  470    H    VAL  56           H        VAL  56 -15.950 -14.033   6.948
  471    HA   VAL  56           HA       VAL  56 -18.632 -12.942   6.545
  472    HB   VAL  56           HB       VAL  56 -16.399 -12.904   4.488
  473   1HG1  VAL  56          1HG1      VAL  56 -18.788 -11.092   5.061
  474   2HG1  VAL  56          2HG1      VAL  56 -17.522 -10.707   3.890
  475   3HG1  VAL  56          3HG1      VAL  56 -18.529 -12.124   3.640
  476   1HG2  VAL  56          3HG2      VAL  56 -15.357 -11.923   6.469
  477   2HG2  VAL  56          1HG2      VAL  56 -15.698 -10.763   5.181
  478   3HG2  VAL  56          2HG2      VAL  56 -16.737 -10.782   6.619
  479    H    SER  57           H        SER  57 -20.019 -13.525   4.910
  480    HA   SER  57           HA       SER  57 -20.466 -15.880   3.661
  481   1HB   SER  57          1HB       SER  57 -21.006 -13.070   3.331
  482   2HB   SER  57          2HB       SER  57 -20.801 -13.775   1.744
  483    HG   SER  57           HG       SER  57 -22.441 -15.146   2.054
  484    HA   PRO  58           HA       PRO  58 -16.677 -16.114   0.963
  485   1HB   PRO  58          1HB       PRO  58 -17.548 -18.059  -0.789
  486   2HB   PRO  58          2HB       PRO  58 -16.860 -18.400   0.824
  487   1HG   PRO  58          1HG       PRO  58 -19.781 -18.274   0.052
  488   2HG   PRO  58          2HG       PRO  58 -18.959 -19.495   1.060
  489   1HD   PRO  58          1HD       PRO  58 -20.372 -17.438   2.134
  490   2HD   PRO  58          2HD       PRO  58 -18.882 -18.029   2.929
  491    H    SER  59           H        SER  59 -20.076 -16.078  -0.091
  492    HA   SER  59           HA       SER  59 -19.860 -14.711  -2.557
  493   1HB   SER  59          1HB       SER  59 -22.331 -14.159  -1.759
  494   2HB   SER  59          2HB       SER  59 -21.855 -15.810  -2.167
  495    HG   SER  59           HG       SER  59 -22.938 -15.730  -0.148
  496    H    GLN  60           H        GLN  60 -18.759 -13.470   0.351
  497    HA   GLN  60           HA       GLN  60 -18.864 -10.821  -0.770
  498   1HB   GLN  60          1HB       GLN  60 -20.966 -11.174   0.759
  499   2HB   GLN  60          2HB       GLN  60 -19.839 -11.234   2.099
  500   1HG   GLN  60          1HG       GLN  60 -20.923  -9.034   1.801
  501   2HG   GLN  60          2HG       GLN  60 -19.170  -8.937   1.711
  502   1HE2  GLN  60          2HE2      GLN  60 -20.848  -8.712  -2.039
  503   2HE2  GLN  60          1HE2      GLN  60 -21.037 -10.181  -1.111
  504    H    ALA  61           H        ALA  61 -16.962 -13.022  -0.311
  505    HA   ALA  61           HA       ALA  61 -14.982 -12.155   1.552
  506   1HB   ALA  61          1HB       ALA  61 -14.928 -14.350   0.421
  507   2HB   ALA  61          2HB       ALA  61 -14.702 -13.546  -1.150
  508   3HB   ALA  61          3HB       ALA  61 -13.451 -13.432   0.098
  509    H    GLN  62           H        GLN  62 -16.120 -10.854  -1.453
  510    HA   GLN  62           HA       GLN  62 -13.860  -9.003  -1.736
  511   1HB   GLN  62          1HB       GLN  62 -16.174  -9.856  -3.359
  512   2HB   GLN  62          2HB       GLN  62 -15.864  -8.137  -3.489
  513   1HG   GLN  62          1HG       GLN  62 -13.742 -10.303  -3.847
  514   2HG   GLN  62          2HG       GLN  62 -14.639  -9.542  -5.165
  515   1HE2  GLN  62          2HE2      GLN  62 -12.718  -6.401  -3.701
  516   2HE2  GLN  62          1HE2      GLN  62 -14.250  -6.959  -3.068
  517    H    GLY  63           H        GLY  63 -16.084  -9.031   0.603
  518   1HA   GLY  63          1HA       GLY  63 -16.696  -6.095   0.475
  519   2HA   GLY  63          2HA       GLY  63 -17.619  -7.323   1.332
  520    H    LEU  64           H        LEU  64 -16.359  -8.542   3.037
  521    HA   LEU  64           HA       LEU  64 -15.649  -8.528   5.130
  522   1HB   LEU  64          1HB       LEU  64 -13.444  -6.962   3.800
  523   2HB   LEU  64          2HB       LEU  64 -13.398  -7.373   5.513
  524    HG   LEU  64           HG       LEU  64 -12.083  -8.889   4.096
  525   1HD1  LEU  64          3HD1      LEU  64 -13.950  -9.744   6.109
  526   2HD1  LEU  64          1HD1      LEU  64 -13.392 -11.007   4.969
  527   3HD1  LEU  64          2HD1      LEU  64 -12.223 -10.039   5.881
  528   1HD2  LEU  64          2HD2      LEU  64 -13.538  -8.872   2.159
  529   2HD2  LEU  64          3HD2      LEU  64 -12.994 -10.479   2.681
  530   3HD2  LEU  64          1HD2      LEU  64 -14.656  -9.973   3.026
  531    H    GLY  65           H        GLY  65 -15.085  -5.119   4.113
  532   1HA   GLY  65          1HA       GLY  65 -15.185  -3.181   5.324
  533   2HA   GLY  65          2HA       GLY  65 -16.580  -3.878   6.170
  534    H    SER  66           H        SER  66 -13.291  -5.299   6.154
  535    HA   SER  66           HA       SER  66 -12.647  -4.379   8.874
  536   1HB   SER  66          1HB       SER  66 -13.439  -7.104   7.852
  537   2HB   SER  66          2HB       SER  66 -11.890  -7.055   8.567
  538    HG   SER  66           HG       SER  66 -12.806  -6.345  10.506
  539    H    ASN  67           H        ASN  67 -11.740  -6.284   6.011
  540    HA   ASN  67           HA       ASN  67  -8.849  -5.605   6.387
  541   1HB   ASN  67          1HB       ASN  67 -10.436  -8.183   6.280
  542   2HB   ASN  67          2HB       ASN  67  -8.764  -8.129   5.725
  543   1HD2  ASN  67          2HD2      ASN  67  -7.861  -8.895   9.082
  544   2HD2  ASN  67          1HD2      ASN  67  -7.901  -9.440   7.400
  545    H    LEU  68           H        LEU  68 -11.441  -5.817   4.162
  546    HA   LEU  68           HA       LEU  68 -10.760  -7.299   2.170
  547   1HB   LEU  68          1HB       LEU  68 -12.690  -5.918   2.034
  548   2HB   LEU  68          2HB       LEU  68 -11.739  -4.427   1.896
  549    HG   LEU  68           HG       LEU  68 -10.922  -5.261  -0.359
  550   1HD1  LEU  68          3HD1      LEU  68 -12.945  -7.480   0.180
  551   2HD1  LEU  68          1HD1      LEU  68 -12.155  -7.148  -1.376
  552   3HD1  LEU  68          2HD1      LEU  68 -11.195  -7.690  -0.008
  553   1HD2  LEU  68          3HD2      LEU  68 -13.925  -5.046  -0.004
  554   2HD2  LEU  68          1HD2      LEU  68 -12.784  -3.704  -0.221
  555   3HD2  LEU  68          2HD2      LEU  68 -13.037  -4.868  -1.532
  556    H    VAL  69           H        VAL  69  -9.074  -7.642   0.857
  557    HA   VAL  69           HA       VAL  69  -7.004  -5.550   0.375
  558    HB   VAL  69           HB       VAL  69  -7.107  -8.555   0.071
  559   1HG1  VAL  69          1HG1      VAL  69  -4.900  -6.720  -0.931
  560   2HG1  VAL  69          2HG1      VAL  69  -4.819  -8.489  -0.808
  561   3HG1  VAL  69          3HG1      VAL  69  -5.944  -7.743  -1.946
  562   1HG2  VAL  69          3HG2      VAL  69  -6.575  -7.547   2.312
  563   2HG2  VAL  69          1HG2      VAL  69  -5.178  -8.371   1.633
  564   3HG2  VAL  69          2HG2      VAL  69  -5.254  -6.622   1.549
  565    H    THR  70           H        THR  70  -7.351  -4.323  -1.342
  566    HA   THR  70           HA       THR  70  -8.713  -5.419  -3.753
  567    HB   THR  70           HB       THR  70  -8.849  -3.111  -4.505
  568    HG1  THR  70          1HG       THR  70  -8.234  -1.449  -3.361
  569   1HG2  THR  70          3HG2      THR  70 -10.676  -4.140  -3.083
  570   2HG2  THR  70          1HG2      THR  70  -9.937  -3.388  -1.653
  571   3HG2  THR  70          2HG2      THR  70 -10.598  -2.372  -2.942
  572    H    GLU  71           H        GLU  71  -7.494  -5.066  -5.817
  573    HA   GLU  71           HA       GLU  71  -5.066  -6.316  -5.661
  574   1HB   GLU  71          1HB       GLU  71  -6.397  -6.114  -7.699
  575   2HB   GLU  71          2HB       GLU  71  -5.975  -4.404  -7.863
  576   1HG   GLU  71          1HG       GLU  71  -3.669  -6.320  -7.577
  577   2HG   GLU  71          2HG       GLU  71  -4.677  -6.539  -8.992
  578    H    VAL  72           H        VAL  72  -5.560  -2.778  -5.841
  579    HA   VAL  72           HA       VAL  72  -2.849  -2.229  -6.215
  580    HB   VAL  72           HB       VAL  72  -4.937  -0.609  -6.203
  581   1HG1  VAL  72          2HG1      VAL  72  -5.338  -0.841  -3.731
  582   2HG1  VAL  72          3HG1      VAL  72  -3.776   0.005  -3.477
  583   3HG1  VAL  72          1HG1      VAL  72  -5.101   0.810  -4.302
  584   1HG2  VAL  72          3HG2      VAL  72  -2.087   0.156  -5.463
  585   2HG2  VAL  72          1HG2      VAL  72  -2.808  -0.004  -7.076
  586   3HG2  VAL  72          2HG2      VAL  72  -3.338   1.290  -6.015
  587    H    ARG  73           H        ARG  73  -4.467  -3.174  -3.215
  588    HA   ARG  73           HA       ARG  73  -2.475  -2.112  -1.411
  589   1HB   ARG  73          1HB       ARG  73  -4.264  -4.568  -1.114
  590   2HB   ARG  73          2HB       ARG  73  -3.398  -3.757   0.196
  591   1HG   ARG  73          1HG       ARG  73  -5.689  -2.600  -1.436
  592   2HG   ARG  73          2HG       ARG  73  -5.787  -3.316   0.170
  593   1HD   ARG  73          1HD       ARG  73  -5.466  -1.324   1.034
  594   2HD   ARG  73          2HD       ARG  73  -3.789  -1.419   0.544
  595    HE   ARG  73           HE       ARG  73  -6.143  -0.364  -1.017
  596   1HH1  ARG  73          2HH2      ARG  73  -2.718   0.238  -0.232
  597   2HH1  ARG  73          1HH2      ARG  73  -2.743   1.847  -0.943
  598   1HH2  ARG  73          2HH1      ARG  73  -6.092   1.646  -2.007
  599   2HH2  ARG  73          1HH1      ARG  73  -4.607   2.498  -2.245
  600    H    VAL  74           H        VAL  74  -2.917  -5.287  -3.075
  601    HA   VAL  74           HA       VAL  74  -0.493  -6.514  -2.085
  602    HB   VAL  74           HB       VAL  74  -2.070  -6.881  -4.720
  603   1HG1  VAL  74          2HG1      VAL  74   0.186  -8.526  -3.573
  604   2HG1  VAL  74          3HG1      VAL  74  -0.888  -9.070  -4.888
  605   3HG1  VAL  74          1HG1      VAL  74   0.168  -7.682  -5.133
  606   1HG2  VAL  74          1HG2      VAL  74  -3.346  -7.545  -2.669
  607   2HG2  VAL  74          2HG2      VAL  74  -3.057  -8.836  -3.840
  608   3HG2  VAL  74          3HG2      VAL  74  -2.088  -8.782  -2.368
  609    H    TYR  75           H        TYR  75  -1.319  -4.888  -5.165
  610    HA   TYR  75           HA       TYR  75   1.123  -5.161  -6.359
  611   1HB   TYR  75          1HB       TYR  75  -1.228  -4.116  -7.114
  612   2HB   TYR  75          2HB       TYR  75  -0.410  -2.593  -6.786
  613    HD1  TYR  75          2HD       TYR  75  -0.300  -5.784  -8.654
  614    HD2  TYR  75          1HD       TYR  75   1.391  -1.858  -8.282
  615    HE1  TYR  75          2HE       TYR  75   1.235  -6.274 -10.528
  616    HE2  TYR  75          1HE       TYR  75   2.762  -2.258 -10.328
  617    HH   TYR  75           HH       TYR  75   2.895  -5.470 -11.889
  618    H    ASN  76           H        ASN  76   0.040  -2.543  -4.352
  619    HA   ASN  76           HA       ASN  76   2.328  -0.873  -4.349
  620   1HB   ASN  76          1HB       ASN  76   0.040  -0.182  -3.823
  621   2HB   ASN  76          2HB       ASN  76  -0.003  -1.289  -2.426
  622   1HD2  ASN  76          2HD2      ASN  76   0.279   2.148  -1.212
  623   2HD2  ASN  76          1HD2      ASN  76  -0.757   1.342  -2.345
  624    H    TRP  77           H        TRP  77   1.176  -3.502  -2.134
  625    HA   TRP  77           HA       TRP  77   3.198  -3.270  -0.161
  626   1HB   TRP  77          1HB       TRP  77   1.188  -4.643   0.069
  627   2HB   TRP  77          2HB       TRP  77   1.759  -5.779  -1.139
  628    HD1  TRP  77           HD       TRP  77   1.588  -5.278   2.384
  629    HE1  TRP  77          1HE       TRP  77   3.080  -6.914   3.716
  630    HE3  TRP  77          3HE       TRP  77   4.495  -7.133  -1.443
  631    HZ2  TRP  77          2HZ       TRP  77   5.128  -8.932   3.081
  632    HZ3  TRP  77          3HZ       TRP  77   5.564  -9.287  -1.143
  633    HH2  TRP  77           HH       TRP  77   6.040 -10.131   1.145
  634    H    PHE  78           H        PHE  78   3.089  -5.025  -3.259
  635    HA   PHE  78           HA       PHE  78   5.727  -6.150  -3.097
  636   1HB   PHE  78          1HB       PHE  78   3.721  -5.877  -5.289
  637   2HB   PHE  78          2HB       PHE  78   5.391  -6.309  -5.625
  638    HD1  PHE  78          1HD       PHE  78   2.504  -7.381  -3.412
  639    HD2  PHE  78          2HD       PHE  78   6.265  -8.488  -5.195
  640    HE1  PHE  78          1HE       PHE  78   2.178  -9.720  -2.696
  641    HE2  PHE  78          2HE       PHE  78   5.750 -10.866  -4.787
  642    HZ   PHE  78           HZ       PHE  78   3.779 -11.482  -3.418
  643    H    ALA  79           H        ALA  79   4.447  -3.227  -4.768
  644    HA   ALA  79           HA       ALA  79   6.859  -2.328  -5.863
  645   1HB   ALA  79          1HB       ALA  79   4.599  -1.348  -6.312
  646   2HB   ALA  79          2HB       ALA  79   4.646  -0.585  -4.707
  647   3HB   ALA  79          3HB       ALA  79   5.835  -0.131  -5.943
  648    H    ASN  80           H        ASN  80   5.570  -1.830  -2.583
  649    HA   ASN  80           HA       ASN  80   7.820  -0.219  -1.701
  650   1HB   ASN  80          1HB       ASN  80   5.563  -0.145  -0.708
  651   2HB   ASN  80          2HB       ASN  80   5.812  -1.751  -0.011
  652   1HD2  ASN  80          2HD2      ASN  80   7.969  -0.553   2.593
  653   2HD2  ASN  80          1HD2      ASN  80   7.336  -1.971   1.788
  654    H    ARG  81           H        ARG  81   7.161  -3.679  -1.899
  655    HA   ARG  81           HA       ARG  81   8.952  -4.648   0.024
  656   1HB   ARG  81          1HB       ARG  81   7.245  -5.766  -1.786
  657   2HB   ARG  81          2HB       ARG  81   8.745  -6.117  -2.612
  658   1HG   ARG  81          1HG       ARG  81   7.815  -7.923  -1.188
  659   2HG   ARG  81          2HG       ARG  81   9.474  -7.482  -0.735
  660   1HD   ARG  81          1HD       ARG  81   7.737  -7.866   1.163
  661   2HD   ARG  81          2HD       ARG  81   8.789  -6.475   1.206
  662    HE   ARG  81           HE       ARG  81   6.299  -5.822  -0.101
  663   1HH1  ARG  81          2HH2      ARG  81   7.913  -6.151   3.054
  664   2HH1  ARG  81          1HH2      ARG  81   6.629  -5.370   3.903
  665   1HH2  ARG  81          2HH1      ARG  81   4.942  -4.397   0.926
  666   2HH2  ARG  81          1HH1      ARG  81   4.967  -4.210   2.680
  667    H    ARG  82           H        ARG  82   9.437  -3.697  -3.332
  668    HA   ARG  82           HA       ARG  82  12.103  -4.203  -3.761
  669   1HB   ARG  82          1HB       ARG  82  10.796  -1.490  -4.314
  670   2HB   ARG  82          2HB       ARG  82  12.164  -2.205  -5.162
  671   1HG   ARG  82          1HG       ARG  82   9.265  -3.190  -5.224
  672   2HG   ARG  82          2HG       ARG  82  10.177  -2.405  -6.510
  673   1HD   ARG  82          1HD       ARG  82  11.790  -4.284  -6.498
  674   2HD   ARG  82          2HD       ARG  82  10.812  -5.143  -5.283
  675    HE   ARG  82           HE       ARG  82   8.944  -4.675  -7.204
  676   1HH1  ARG  82          2HH2      ARG  82  12.153  -6.209  -7.235
  677   2HH1  ARG  82          1HH2      ARG  82  11.920  -6.937  -8.791
  678   1HH2  ARG  82          2HH1      ARG  82   8.562  -5.692  -9.063
  679   2HH2  ARG  82          1HH1      ARG  82   9.787  -6.660  -9.908
  680    H    LYS  83           H        LYS  83  10.768  -1.472  -1.917
  681    HA   LYS  83           HA       LYS  83  13.384  -0.493  -1.247
  682   1HB   LYS  83          1HB       LYS  83  11.202   0.904  -1.593
  683   2HB   LYS  83          2HB       LYS  83  10.695   0.299  -0.015
  684   1HG   LYS  83          1HG       LYS  83  11.604   2.403   0.457
  685   2HG   LYS  83          2HG       LYS  83  12.903   1.274   0.883
  686   1HD   LYS  83          1HD       LYS  83  13.906   1.708  -1.437
  687   2HD   LYS  83          2HD       LYS  83  12.624   2.885  -1.700
  688   1HE   LYS  83          1HE       LYS  83  14.660   4.009  -1.034
  689   2HE   LYS  83          2HE       LYS  83  13.429   4.252   0.214
  690   1HZ   LYS  83          1HZ       LYS  83  15.526   2.177   0.342
  691   2HZ   LYS  83          2HZ       LYS  83  15.742   3.666   0.923
  692   3HZ   LYS  83          3HZ       LYS  83  14.589   2.678   1.601
  693    H    GLU  84           H        GLU  84  10.850  -2.227   0.499
  694    HA   GLU  84           HA       GLU  84  11.992  -2.347   3.075
  695   1HB   GLU  84          1HB       GLU  84   9.747  -3.232   2.319
  696   2HB   GLU  84          2HB       GLU  84  10.608  -4.566   1.532
  697   1HG   GLU  84          1HG       GLU  84  11.468  -4.449   4.283
  698   2HG   GLU  84          2HG       GLU  84   9.713  -4.378   4.242
  699    H    GLU  85           H        GLU  85  12.775  -4.088   0.099
  700    HA   GLU  85           HA       GLU  85  14.530  -5.928   1.546
  701   1HB   GLU  85          1HB       GLU  85  13.017  -6.646  -0.299
  702   2HB   GLU  85          2HB       GLU  85  14.005  -5.750  -1.462
  703   1HG   GLU  85          1HG       GLU  85  15.964  -7.100  -0.928
  704   2HG   GLU  85          2HG       GLU  85  15.138  -7.795   0.488
  705    H    ALA  86           H        ALA  86  14.830  -3.426  -0.979
  706    HA   ALA  86           HA       ALA  86  17.630  -3.435  -1.294
  707   1HB   ALA  86          2HB       ALA  86  15.642  -1.135  -1.504
  708   2HB   ALA  86          3HB       ALA  86  17.307  -1.118  -2.130
  709   3HB   ALA  86          1HB       ALA  86  16.118  -2.242  -2.802
  710    H    PHE  87           H        PHE  87  15.577  -1.617   1.026
  711    HA   PHE  87           HA       PHE  87  17.526  -0.228   2.476
  712   1HB   PHE  87          1HB       PHE  87  14.935  -1.602   3.293
  713   2HB   PHE  87          2HB       PHE  87  15.993  -0.946   4.511
  714    HD1  PHE  87          1HD       PHE  87  16.922   1.611   3.722
  715    HD2  PHE  87          2HD       PHE  87  13.037  -0.203   3.279
  716    HE1  PHE  87          1HE       PHE  87  15.856   3.740   4.259
  717    HE2  PHE  87          2HE       PHE  87  11.978   2.002   3.640
  718    HZ   PHE  87           HZ       PHE  87  13.388   3.985   4.167
  719    H    ARG  88           H        ARG  88  16.284  -3.521   3.234
  720    HA   ARG  88           HA       ARG  88  18.146  -4.007   5.286
  721   1HB   ARG  88          1HB       ARG  88  15.927  -5.111   4.661
  722   2HB   ARG  88          2HB       ARG  88  16.830  -6.155   3.572
  723   1HG   ARG  88          1HG       ARG  88  17.472  -5.848   6.554
  724   2HG   ARG  88          2HG       ARG  88  16.207  -6.931   5.966
  725   1HD   ARG  88          1HD       ARG  88  19.094  -7.135   5.105
  726   2HD   ARG  88          2HD       ARG  88  18.384  -8.073   6.416
  727    HE   ARG  88           HE       ARG  88  16.737  -8.446   4.140
  728   1HH1  ARG  88          2HH2      ARG  88  20.238  -9.021   4.638
  729   2HH1  ARG  88          1HH2      ARG  88  20.096 -10.657   4.011
  730   1HH2  ARG  88          2HH1      ARG  88  16.756 -10.367   3.068
  731   2HH2  ARG  88          1HH1      ARG  88  18.225 -11.374   3.029
  732    H    HIS  89           H        HIS  89  18.421  -4.446   1.790
  733    HA   HIS  89           HA       HIS  89  20.678  -6.147   1.715
  734   1HB   HIS  89          1HB       HIS  89  19.032  -5.319  -0.146
  735   2HB   HIS  89          2HB       HIS  89  20.144  -3.965  -0.330
  736    HD1  HIS  89          1HD       HIS  89  22.528  -4.594  -1.578
  737    HD2  HIS  89          2HD       HIS  89  19.637  -7.632  -1.079
  738    HE1  HIS  89          1HE       HIS  89  23.046  -6.383  -3.284
  739    H    LYS  90           H        LYS  90  20.357  -2.626   2.057
  740    HA   LYS  90           HA       LYS  90  23.291  -2.249   1.801
  741   1HB   LYS  90          1HB       LYS  90  21.507  -0.819   0.669
  742   2HB   LYS  90          2HB       LYS  90  21.269  -0.053   2.234
  743   1HG   LYS  90          1HG       LYS  90  23.814  -0.120   0.540
  744   2HG   LYS  90          2HG       LYS  90  22.729   1.232   0.812
  745   1HD   LYS  90          1HD       LYS  90  24.249   1.874   2.334
  746   2HD   LYS  90          2HD       LYS  90  23.401   0.757   3.381
  747   1HE   LYS  90          1HE       LYS  90  25.249  -0.962   2.213
  748   2HE   LYS  90          2HE       LYS  90  26.114   0.570   2.066
  749   1HZ   LYS  90          3HZ       LYS  90  25.585   0.797   4.523
  750   2HZ   LYS  90          1HZ       LYS  90  25.178  -0.802   4.471
  751   3HZ   LYS  90          2HZ       LYS  90  26.726  -0.315   4.121
  752    H    LEU  91           H        LEU  91  20.633  -1.501   4.147
  753    HA   LEU  91           HA       LEU  91  22.455  -0.789   6.143
  754   1HB   LEU  91          1HB       LEU  91  19.445  -1.212   6.279
  755   2HB   LEU  91          2HB       LEU  91  20.452  -0.631   7.609
  756    HG   LEU  91           HG       LEU  91  19.534   1.275   6.832
  757   1HD1  LEU  91          2HD1      LEU  91  22.025   1.448   6.910
  758   2HD1  LEU  91          3HD1      LEU  91  22.058   1.251   5.143
  759   3HD1  LEU  91          1HD1      LEU  91  21.244   2.649   5.856
  760   1HD2  LEU  91          1HD2      LEU  91  18.456   0.376   4.839
  761   2HD2  LEU  91          2HD2      LEU  91  19.184   1.970   4.554
  762   3HD2  LEU  91          3HD2      LEU  91  19.978   0.519   3.932
  763    H    ALA  92           H        ALA  92  19.880  -2.861   7.225
  764    HA   ALA  92           HA       ALA  92  19.931  -4.523   8.747
  765   1HB   ALA  92          1HB       ALA  92  20.107  -5.856   6.732
  766   2HB   ALA  92          2HB       ALA  92  21.881  -5.737   6.744
  767   3HB   ALA  92          3HB       ALA  92  21.032  -6.621   8.023
  768    H    MET  93           H        MET  93  21.579  -2.332   9.423
  769    HA   MET  93           HA       MET  93  23.504  -3.670  11.215
  770   1HB   MET  93          1HB       MET  93  25.305  -2.101  10.554
  771   2HB   MET  93          2HB       MET  93  24.790  -3.113   9.198
  772   1HG   MET  93          1HG       MET  93  23.461  -1.241   8.295
  773   2HG   MET  93          2HG       MET  93  23.846  -0.242   9.693
  774   1HE   MET  93          2HE       MET  93  25.406  -2.122   6.605
  775   2HE   MET  93          3HE       MET  93  27.055  -1.445   6.617
  776   3HE   MET  93          1HE       MET  93  26.540  -2.527   7.916
  777    H    ASP  94           H        ASP  94  20.895  -2.057  11.323
  778    HA   ASP  94           HA       ASP  94  21.698  -0.186  13.446
  779   1HB   ASP  94          1HB       ASP  94  21.692   1.154  11.291
  780   2HB   ASP  94          2HB       ASP  94  19.980   0.726  11.082
  781    H    THR  95           H        THR  95  20.562  -2.702  13.593
  782    HA   THR  95           HA       THR  95  18.822  -3.842  14.463
  783    HB   THR  95           HB       THR  95  17.826  -1.189  15.561
  784    HG1  THR  95          1HG       THR  95  19.441  -1.219  16.984
  785   1HG2  THR  95          3HG2      THR  95  16.519  -3.293  16.194
  786   2HG2  THR  95          1HG2      THR  95  18.029  -3.984  16.807
  787   3HG2  THR  95          2HG2      THR  95  17.335  -2.543  17.571
  788    H    TYR  96           H        TYR  96  16.049  -2.122  14.624
  789    HA   TYR  96           HA       TYR  96  14.138  -2.379  13.465
  790   1HB   TYR  96          1HB       TYR  96  15.481  -0.179  12.978
  791   2HB   TYR  96          2HB       TYR  96  15.729  -0.835  11.378
  792    HD1  TYR  96          2HD       TYR  96  12.800  -0.539  13.779
  793    HD2  TYR  96          1HD       TYR  96  14.369   0.384   9.864
  794    HE1  TYR  96          2HE       TYR  96  10.739   0.692  13.238
  795    HE2  TYR  96          1HE       TYR  96  12.325   1.675   9.354
  796    HH   TYR  96           HH       TYR  96  10.170   2.312  10.096
  797    H    LYS  97           H        LYS  97  13.754  -2.165  10.644
  798    HA   LYS  97           HA       LYS  97  15.395  -3.604   9.032
  799   1HB   LYS  97          1HB       LYS  97  14.079  -5.627  10.246
  800   2HB   LYS  97          2HB       LYS  97  12.860  -5.231   9.045
  801   1HG   LYS  97          1HG       LYS  97  14.462  -5.582   7.228
  802   2HG   LYS  97          2HG       LYS  97  15.778  -5.760   8.405
  803   1HD   LYS  97          1HD       LYS  97  15.163  -7.984   7.667
  804   2HD   LYS  97          2HD       LYS  97  14.771  -7.751   9.357
  805   1HE   LYS  97          1HE       LYS  97  12.966  -8.955   8.432
  806   2HE   LYS  97          2HE       LYS  97  12.357  -7.329   8.703
  807   1HZ   LYS  97          1HZ       LYS  97  12.827  -6.991   6.221
  808   2HZ   LYS  97          2HZ       LYS  97  13.135  -8.590   6.163
  809   3HZ   LYS  97          3HZ       LYS  97  11.645  -8.085   6.642
  810    H    LEU  98           H        LEU  98  11.780  -3.390   9.254
  811    HA   LEU  98           HA       LEU  98  11.767  -0.864   8.100
  812   1HB   LEU  98          1HB       LEU  98  12.220  -2.198   6.009
  813   2HB   LEU  98          2HB       LEU  98  10.704  -3.043   6.236
  814    HG   LEU  98           HG       LEU  98  10.953  -1.072   4.562
  815   1HD1  LEU  98          2HD1      LEU  98   8.800  -2.188   5.138
  816   2HD1  LEU  98          3HD1      LEU  98   8.553  -0.971   6.406
  817   3HD1  LEU  98          1HD1      LEU  98   8.642  -0.478   4.705
  818   1HD2  LEU  98          2HD2      LEU  98  11.948   0.563   6.137
  819   2HD2  LEU  98          3HD2      LEU  98  10.479   1.159   5.340
  820   3HD2  LEU  98          1HD2      LEU  98  10.404   0.631   7.022
  821    H    ASN  99           H        ASN  99  10.620  -0.461   9.889
  822    HA   ASN  99           HA       ASN  99   9.035  -0.325  11.424
  823   1HB   ASN  99          2HB       ASN  99   6.760  -0.064  10.898
  824   2HB   ASN  99          3HB       ASN  99   7.722   0.722   9.654
  825   1HD2  ASN  99          2HD2      ASN  99   5.748  -2.784   8.605
  826   2HD2  ASN  99          1HD2      ASN  99   6.265  -2.498  10.270
   
  No H/Q in entry =         826
  Start of MODEL   11
    1   1H    MET   0          2H        MET   0   9.181   7.222   0.343
    2   2H    MET   0          3H        MET   0   9.966   5.788   0.134
    3   3H    MET   0          1H        MET   0  10.675   7.260  -0.291
    4    HA   MET   0           HA       MET   0  10.092   6.550  -2.315
    5   1HB   MET   0          2HB       MET   0   7.980   5.441  -2.848
    6   2HB   MET   0          3HB       MET   0   8.899   4.556  -1.632
    7   1HG   MET   0          2HG       MET   0   6.872   4.437  -0.608
    8   2HG   MET   0          3HG       MET   0   7.334   5.997   0.047
    9   1HE   MET   0          1HE       MET   0   4.937   3.924  -1.990
   10   2HE   MET   0          2HE       MET   0   4.068   5.081  -3.008
   11   3HE   MET   0          3HE       MET   0   5.759   4.676  -3.380
   12    H    ALA   1           H        ALA   1   9.452   8.231  -3.696
   13    HA   ALA   1           HA       ALA   1   8.196  10.531  -2.376
   14   1HB   ALA   1          2HB       ALA   1  10.170  10.779  -3.834
   15   2HB   ALA   1          3HB       ALA   1   9.223  10.242  -5.216
   16   3HB   ALA   1          1HB       ALA   1   8.783  11.745  -4.382
   17    H    ARG   2           H        ARG   2   7.453   9.787  -5.743
   18    HA   ARG   2           HA       ARG   2   5.529   9.578  -6.829
   19   1HB   ARG   2          1HB       ARG   2   3.950   8.187  -6.150
   20   2HB   ARG   2          2HB       ARG   2   4.999   7.889  -4.767
   21   1HG   ARG   2          1HG       ARG   2   3.569   9.915  -3.693
   22   2HG   ARG   2          2HG       ARG   2   2.448   9.470  -4.984
   23   1HD   ARG   2          1HD       ARG   2   3.583   7.689  -2.801
   24   2HD   ARG   2          2HD       ARG   2   1.961   8.338  -2.816
   25    HE   ARG   2           HE       ARG   2   3.111   6.251  -4.668
   26   1HH1  ARG   2          2HH2      ARG   2   0.188   8.073  -3.921
   27   2HH1  ARG   2          1HH2      ARG   2  -0.846   6.683  -3.841
   28   1HH2  ARG   2          2HH1      ARG   2   1.657   4.473  -5.126
   29   2HH2  ARG   2          1HH1      ARG   2  -0.047   4.779  -5.112
   30    H    ILE   3           H        ILE   3   3.962  11.118  -7.475
   31    HA   ILE   3           HA       ILE   3   4.186  13.681  -6.200
   32    HB   ILE   3           HB       ILE   3   2.671  14.500  -7.779
   33   1HG1  ILE   3          1HG1      ILE   3   0.814  12.972  -7.699
   34   2HG1  ILE   3          2HG1      ILE   3   1.372  13.226  -9.342
   35   1HG2  ILE   3          2HG2      ILE   3   4.894  13.932  -8.625
   36   2HG2  ILE   3          3HG2      ILE   3   4.316  12.368  -9.207
   37   3HG2  ILE   3          1HG2      ILE   3   3.664  13.865  -9.895
   38   1HD1  ILE   3          3HD1      ILE   3   2.508  11.016  -9.316
   39   2HD1  ILE   3          1HD1      ILE   3   1.878  10.716  -7.682
   40   3HD1  ILE   3          2HD1      ILE   3   0.762  10.909  -9.030
   41    H    ASP   4           H        ASP   4   2.753  14.722  -4.874
   42    HA   ASP   4           HA       ASP   4   1.341  14.897  -3.090
   43   1HB   ASP   4          1HB       ASP   4   0.184  15.776  -5.005
   44   2HB   ASP   4          2HB       ASP   4  -0.554  14.192  -5.326
   45    HA   PRO   5           HA       PRO   5   1.495  10.524  -2.013
   46   1HB   PRO   5          1HB       PRO   5   1.077  10.713   0.753
   47   2HB   PRO   5          2HB       PRO   5   2.641  10.859  -0.094
   48   1HG   PRO   5          1HG       PRO   5   0.814  13.076   0.829
   49   2HG   PRO   5          2HG       PRO   5   2.596  12.997   0.941
   50   1HD   PRO   5          1HD       PRO   5   1.330  14.419  -0.960
   51   2HD   PRO   5          2HD       PRO   5   2.828  13.534  -1.373
   52    H    THR   6           H        THR   6  -1.079  12.575  -0.653
   53    HA   THR   6           HA       THR   6  -3.000  10.626  -0.061
   54    HB   THR   6           HB       THR   6  -4.408  12.928  -0.604
   55    HG1  THR   6          1HG       THR   6  -2.492  13.981  -1.437
   56   1HG2  THR   6          2HG2      THR   6  -2.514  12.389   1.730
   57   2HG2  THR   6          3HG2      THR   6  -3.829  13.583   1.719
   58   3HG2  THR   6          1HG2      THR   6  -4.205  11.850   1.597
   59    H    LYS   7           H        LYS   7  -2.133  11.996  -3.206
   60    HA   LYS   7           HA       LYS   7  -4.615  11.853  -4.373
   61   1HB   LYS   7          1HB       LYS   7  -2.347  12.838  -5.180
   62   2HB   LYS   7          2HB       LYS   7  -2.067  11.301  -5.943
   63   1HG   LYS   7          1HG       LYS   7  -2.983  12.626  -7.625
   64   2HG   LYS   7          2HG       LYS   7  -4.332  11.598  -7.140
   65   1HD   LYS   7          1HD       LYS   7  -4.976  13.967  -7.510
   66   2HD   LYS   7          2HD       LYS   7  -5.340  13.440  -5.867
   67   1HE   LYS   7          1HE       LYS   7  -3.682  14.739  -4.903
   68   2HE   LYS   7          2HE       LYS   7  -2.656  14.738  -6.351
   69   1HZ   LYS   7          3HZ       LYS   7  -5.158  16.288  -6.250
   70   2HZ   LYS   7          1HZ       LYS   7  -3.638  16.861  -5.873
   71   3HZ   LYS   7          2HZ       LYS   7  -3.937  16.305  -7.366
   72    H    LYS   8           H        LYS   8  -2.029   9.383  -4.983
   73    HA   LYS   8           HA       LYS   8  -4.008   7.779  -6.410
   74   1HB   LYS   8          1HB       LYS   8  -1.281   8.272  -6.730
   75   2HB   LYS   8          2HB       LYS   8  -1.291   6.680  -5.992
   76   1HG   LYS   8          1HG       LYS   8  -1.414   5.979  -8.080
   77   2HG   LYS   8          2HG       LYS   8  -3.143   6.181  -7.861
   78   1HD   LYS   8          1HD       LYS   8  -1.198   8.244  -9.071
   79   2HD   LYS   8          2HD       LYS   8  -2.210   7.128  -9.987
   80   1HE   LYS   8          1HE       LYS   8  -4.251   8.177  -8.880
   81   2HE   LYS   8          2HE       LYS   8  -3.174   9.433  -8.248
   82   1HZ   LYS   8          2HZ       LYS   8  -3.509   8.799 -11.123
   83   2HZ   LYS   8          3HZ       LYS   8  -4.302   9.978 -10.310
   84   3HZ   LYS   8          1HZ       LYS   8  -2.675  10.089 -10.482
   85    H    GLY   9           H        GLY   9  -5.349   6.474  -5.212
   86   1HA   GLY   9          1HA       GLY   9  -4.814   4.132  -4.153
   87   2HA   GLY   9          2HA       GLY   9  -4.342   5.114  -2.753
   88    H    ARG  10           H        ARG  10  -5.963   6.894  -2.204
   89    HA   ARG  10           HA       ARG  10  -7.959   7.608  -1.537
   90   1HB   ARG  10          1HB       ARG  10  -8.551   7.309  -3.983
   91   2HB   ARG  10          2HB       ARG  10  -9.375   5.810  -3.569
   92   1HG   ARG  10          1HG       ARG  10  -9.924   8.531  -2.297
   93   2HG   ARG  10          2HG       ARG  10 -10.742   7.960  -3.732
   94   1HD   ARG  10          1HD       ARG  10 -10.904   6.779  -0.915
   95   2HD   ARG  10          2HD       ARG  10 -12.177   7.610  -1.774
   96    HE   ARG  10           HE       ARG  10 -11.638   4.832  -1.850
   97   1HH1  ARG  10          2HH2      ARG  10 -12.723   7.487  -3.899
   98   2HH1  ARG  10          1HH2      ARG  10 -13.452   6.447  -5.096
   99   1HH2  ARG  10          2HH1      ARG  10 -12.408   3.438  -3.545
  100   2HH2  ARG  10          1HH1      ARG  10 -12.928   4.118  -5.052
  101    H    ARG  11           H        ARG  11  -8.585   4.107  -2.274
  102    HA   ARG  11           HA       ARG  11  -9.510   3.483   0.286
  103   1HB   ARG  11          1HB       ARG  11  -9.630   2.046  -1.808
  104   2HB   ARG  11          2HB       ARG  11  -7.900   1.725  -1.576
  105   1HG   ARG  11          1HG       ARG  11  -9.153  -0.144  -0.841
  106   2HG   ARG  11          2HG       ARG  11  -8.426   0.593   0.587
  107   1HD   ARG  11          1HD       ARG  11 -10.519   1.349   1.402
  108   2HD   ARG  11          2HD       ARG  11 -11.228   1.436  -0.192
  109    HE   ARG  11           HE       ARG  11 -10.978  -0.980   1.506
  110   1HH1  ARG  11          2HH2      ARG  11 -11.964   0.289  -1.740
  111   2HH1  ARG  11          1HH2      ARG  11 -12.977  -1.117  -1.985
  112   1HH2  ARG  11          2HH1      ARG  11 -12.409  -2.724   1.003
  113   2HH2  ARG  11          1HH1      ARG  11 -13.187  -2.717  -0.583
  114    H    ASN  12           H        ASN  12  -8.195   2.784   2.003
  115    HA   ASN  12           HA       ASN  12  -5.361   2.601   2.117
  116   1HB   ASN  12          1HB       ASN  12  -5.320   5.003   1.480
  117   2HB   ASN  12          2HB       ASN  12  -6.376   5.376   2.845
  118   1HD2  ASN  12          2HD2      ASN  12  -3.363   5.993   4.607
  119   2HD2  ASN  12          1HD2      ASN  12  -4.816   6.737   3.970
  120    H    ARG  13           H        ARG  13  -8.287   3.721   3.820
  121    HA   ARG  13           HA       ARG  13  -7.613   3.306   6.447
  122   1HB   ARG  13          1HB       ARG  13 -10.032   2.567   6.758
  123   2HB   ARG  13          2HB       ARG  13  -9.717   4.156   6.037
  124   1HG   ARG  13          1HG       ARG  13 -11.334   3.552   4.638
  125   2HG   ARG  13          2HG       ARG  13 -10.068   2.770   3.735
  126   1HD   ARG  13          1HD       ARG  13 -11.759   1.147   3.820
  127   2HD   ARG  13          2HD       ARG  13 -10.628   0.611   5.065
  128    HE   ARG  13           HE       ARG  13 -12.290   0.787   6.591
  129   1HH1  ARG  13          2HH2      ARG  13 -13.207   2.812   3.776
  130   2HH1  ARG  13          1HH2      ARG  13 -14.687   3.353   4.515
  131   1HH2  ARG  13          2HH1      ARG  13 -14.352   1.344   7.449
  132   2HH2  ARG  13          1HH1      ARG  13 -15.484   2.211   6.455
  133    H    PHE  14           H        PHE  14  -8.185   0.810   4.110
  134    HA   PHE  14           HA       PHE  14  -8.367  -1.446   5.850
  135   1HB   PHE  14          1HB       PHE  14  -9.041  -1.880   3.657
  136   2HB   PHE  14          2HB       PHE  14  -7.727  -0.931   2.969
  137    HD1  PHE  14          1HD       PHE  14  -7.695  -4.005   5.206
  138    HD2  PHE  14          2HD       PHE  14  -6.892  -2.345   1.316
  139    HE1  PHE  14          1HE       PHE  14  -6.234  -5.924   4.672
  140    HE2  PHE  14          2HE       PHE  14  -5.450  -4.286   0.817
  141    HZ   PHE  14           HZ       PHE  14  -4.795  -5.845   2.613
  142    H    LYS  15           H        LYS  15  -6.940  -2.140   7.252
  143    HA   LYS  15           HA       LYS  15  -4.023  -1.677   6.977
  144   1HB   LYS  15          1HB       LYS  15  -3.877  -2.443   9.246
  145   2HB   LYS  15          2HB       LYS  15  -4.912  -1.022   9.110
  146   1HG   LYS  15          1HG       LYS  15  -6.937  -2.403   9.525
  147   2HG   LYS  15          2HG       LYS  15  -6.019  -3.879   9.279
  148   1HD   LYS  15          1HD       LYS  15  -6.100  -3.878  11.534
  149   2HD   LYS  15          2HD       LYS  15  -4.529  -3.148  11.292
  150   1HE   LYS  15          1HE       LYS  15  -7.159  -1.704  11.956
  151   2HE   LYS  15          2HE       LYS  15  -5.820  -2.030  13.074
  152   1HZ   LYS  15          2HZ       LYS  15  -4.470  -0.509  11.728
  153   2HZ   LYS  15          3HZ       LYS  15  -5.835  -0.207  10.769
  154   3HZ   LYS  15          1HZ       LYS  15  -5.798   0.201  12.331
  155    H    TRP  16           H        TRP  16  -2.595  -3.575   7.058
  156    HA   TRP  16           HA       TRP  16  -3.828  -5.946   5.816
  157   1HB   TRP  16          1HB       TRP  16  -1.002  -5.180   6.547
  158   2HB   TRP  16          2HB       TRP  16  -1.447  -6.851   6.227
  159    HD1  TRP  16           HD       TRP  16  -0.497  -3.782   4.358
  160    HE1  TRP  16          1HE       TRP  16  -0.471  -4.300   1.826
  161    HE3  TRP  16          3HE       TRP  16  -3.165  -8.121   4.407
  162    HZ2  TRP  16          2HZ       TRP  16  -1.640  -6.234   0.066
  163    HZ3  TRP  16          3HZ       TRP  16  -3.809  -9.213   2.286
  164    HH2  TRP  16           HH       TRP  16  -2.962  -8.343   0.116
  165    H    GLY  17           H        GLY  17  -4.118  -7.910   6.782
  166   1HA   GLY  17          1HA       GLY  17  -4.445  -7.856   9.763
  167   2HA   GLY  17          2HA       GLY  17  -5.654  -8.412   8.593
  168    HA   PRO  18           HA       PRO  18  -2.698 -11.840   9.898
  169   1HB   PRO  18          1HB       PRO  18  -4.319 -13.474  11.314
  170   2HB   PRO  18          2HB       PRO  18  -3.663 -11.977  12.049
  171   1HG   PRO  18          1HG       PRO  18  -6.327 -12.365  10.701
  172   2HG   PRO  18          2HG       PRO  18  -6.088 -11.719  12.323
  173   1HD   PRO  18          1HD       PRO  18  -6.402 -10.122  10.114
  174   2HD   PRO  18          2HD       PRO  18  -5.269  -9.639  11.404
  175    H    ALA  19           H        ALA  19  -2.743 -13.978   9.035
  176    HA   ALA  19           HA       ALA  19  -3.160 -15.754   7.841
  177   1HB   ALA  19          1HB       ALA  19  -5.431 -15.631   8.797
  178   2HB   ALA  19          2HB       ALA  19  -5.966 -14.749   7.346
  179   3HB   ALA  19          3HB       ALA  19  -5.316 -16.413   7.207
  180    H    SER  20           H        SER  20  -4.705 -12.992   6.465
  181    HA   SER  20           HA       SER  20  -3.870 -12.780   3.842
  182   1HB   SER  20          1HB       SER  20  -4.487 -11.033   6.146
  183   2HB   SER  20          2HB       SER  20  -3.265 -10.323   5.121
  184    HG   SER  20           HG       SER  20  -5.834 -11.329   4.292
  185    H    GLN  21           H        GLN  21  -1.826 -12.023   6.774
  186    HA   GLN  21           HA       GLN  21   0.468 -11.358   5.277
  187   1HB   GLN  21          1HB       GLN  21   0.475 -12.811   7.940
  188   2HB   GLN  21          2HB       GLN  21   1.811 -11.877   7.287
  189   1HG   GLN  21          1HG       GLN  21  -0.851 -10.836   8.279
  190   2HG   GLN  21          2HG       GLN  21   0.683 -10.718   9.111
  191   1HE2  GLN  21          2HE2      GLN  21   1.525  -8.382   6.039
  192   2HE2  GLN  21          1HE2      GLN  21   1.750 -10.107   6.119
  193    H    GLN  22           H        GLN  22  -0.748 -14.593   6.136
  194    HA   GLN  22           HA       GLN  22   1.680 -16.064   5.562
  195   1HB   GLN  22          1HB       GLN  22  -1.251 -16.956   5.352
  196   2HB   GLN  22          2HB       GLN  22   0.163 -17.999   5.286
  197   1HG   GLN  22          1HG       GLN  22   0.762 -17.605   7.469
  198   2HG   GLN  22          2HG       GLN  22  -0.209 -16.132   7.603
  199   1HE2  GLN  22          2HE2      GLN  22  -2.651 -19.433   7.627
  200   2HE2  GLN  22          1HE2      GLN  22  -1.594 -19.225   6.272
  201    H    ILE  23           H        ILE  23  -1.263 -15.040   3.807
  202    HA   ILE  23           HA       ILE  23  -0.484 -16.337   1.512
  203    HB   ILE  23           HB       ILE  23  -2.396 -14.017   1.961
  204   1HG1  ILE  23          1HG1      ILE  23  -4.026 -15.695   1.080
  205   2HG1  ILE  23          2HG1      ILE  23  -2.738 -16.920   1.089
  206   1HG2  ILE  23          3HG2      ILE  23  -1.760 -15.263  -0.745
  207   2HG2  ILE  23          1HG2      ILE  23  -3.125 -14.177  -0.406
  208   3HG2  ILE  23          2HG2      ILE  23  -1.492 -13.573  -0.268
  209   1HD1  ILE  23          2HD1      ILE  23  -3.931 -15.369   3.415
  210   2HD1  ILE  23          3HD1      ILE  23  -4.266 -17.063   2.967
  211   3HD1  ILE  23          1HD1      ILE  23  -2.669 -16.637   3.568
  212    H    LEU  24           H        LEU  24   0.124 -12.987   2.621
  213    HA   LEU  24           HA       LEU  24   1.429 -12.013   0.300
  214   1HB   LEU  24          1HB       LEU  24   1.904 -11.391   3.268
  215   2HB   LEU  24          2HB       LEU  24   2.696 -10.554   1.952
  216    HG   LEU  24           HG       LEU  24  -0.266 -10.518   2.574
  217   1HD1  LEU  24          1HD1      LEU  24   1.278  -9.044   3.861
  218   2HD1  LEU  24          2HD1      LEU  24   1.829  -8.325   2.342
  219   3HD1  LEU  24          3HD1      LEU  24   0.144  -8.134   2.848
  220   1HD2  LEU  24          2HD2      LEU  24   1.213  -9.725   0.072
  221   2HD2  LEU  24          3HD2      LEU  24  -0.350 -10.543   0.246
  222   3HD2  LEU  24          1HD2      LEU  24  -0.208  -8.809   0.578
  223    H    PHE  25           H        PHE  25   2.929 -13.563   3.159
  224    HA   PHE  25           HA       PHE  25   5.544 -13.760   2.121
  225   1HB   PHE  25          1HB       PHE  25   4.026 -15.591   4.027
  226   2HB   PHE  25          2HB       PHE  25   5.728 -15.756   3.630
  227    HD1  PHE  25          1HD       PHE  25   7.312 -13.757   3.999
  228    HD2  PHE  25          2HD       PHE  25   3.548 -14.322   6.012
  229    HE1  PHE  25          1HE       PHE  25   8.150 -12.483   5.959
  230    HE2  PHE  25          2HE       PHE  25   4.282 -12.777   7.807
  231    HZ   PHE  25           HZ       PHE  25   6.626 -11.970   7.858
  232    H    GLN  26           H        GLN  26   2.810 -16.102   1.792
  233    HA   GLN  26           HA       GLN  26   4.382 -18.035   0.461
  234   1HB   GLN  26          1HB       GLN  26   2.605 -19.327   0.283
  235   2HB   GLN  26          2HB       GLN  26   2.018 -18.275   1.559
  236   1HG   GLN  26          1HG       GLN  26   0.757 -17.008  -0.300
  237   2HG   GLN  26          2HG       GLN  26   1.287 -18.285  -1.399
  238   1HE2  GLN  26          2HE2      GLN  26  -2.055 -19.439  -0.453
  239   2HE2  GLN  26          1HE2      GLN  26  -1.340 -18.356  -1.583
  240    H    ALA  27           H        ALA  27   2.338 -15.387  -0.883
  241    HA   ALA  27           HA       ALA  27   2.694 -16.115  -3.595
  242   1HB   ALA  27          3HB       ALA  27   1.026 -14.503  -2.763
  243   2HB   ALA  27          1HB       ALA  27   2.324 -13.349  -2.372
  244   3HB   ALA  27          2HB       ALA  27   2.031 -13.826  -4.067
  245    H    TYR  28           H        TYR  28   4.623 -14.088  -1.355
  246    HA   TYR  28           HA       TYR  28   6.527 -13.368  -3.335
  247   1HB   TYR  28          1HB       TYR  28   6.017 -12.298  -1.026
  248   2HB   TYR  28          2HB       TYR  28   7.055 -13.532  -0.347
  249    HD1  TYR  28          2HD       TYR  28   7.924 -11.836  -3.614
  250    HD2  TYR  28          1HD       TYR  28   8.360 -11.722   0.683
  251    HE1  TYR  28          2HE       TYR  28   9.768 -10.254  -3.849
  252    HE2  TYR  28          1HE       TYR  28  10.166 -10.033   0.405
  253    HH   TYR  28           HH       TYR  28  11.601  -9.138  -2.622
  254    H    GLU  29           H        GLU  29   6.038 -16.362  -1.715
  255    HA   GLU  29           HA       GLU  29   8.708 -17.410  -2.396
  256   1HB   GLU  29          1HB       GLU  29   8.214 -18.937  -0.879
  257   2HB   GLU  29          2HB       GLU  29   6.636 -18.247  -0.600
  258   1HG   GLU  29          1HG       GLU  29   5.575 -19.759  -2.097
  259   2HG   GLU  29          2HG       GLU  29   7.106 -20.219  -2.870
  260    H    ARG  30           H        ARG  30   5.323 -17.488  -3.558
  261    HA   ARG  30           HA       ARG  30   5.815 -19.600  -5.392
  262   1HB   ARG  30          1HB       ARG  30   3.566 -17.525  -5.377
  263   2HB   ARG  30          2HB       ARG  30   3.588 -18.982  -6.355
  264   1HG   ARG  30          1HG       ARG  30   3.407 -18.907  -3.321
  265   2HG   ARG  30          2HG       ARG  30   2.102 -19.225  -4.449
  266   1HD   ARG  30          1HD       ARG  30   3.319 -21.252  -5.231
  267   2HD   ARG  30          2HD       ARG  30   4.590 -20.930  -4.023
  268    HE   ARG  30           HE       ARG  30   2.147 -21.036  -2.605
  269   1HH1  ARG  30          2HH2      ARG  30   4.257 -23.114  -4.502
  270   2HH1  ARG  30          1HH2      ARG  30   3.893 -24.569  -3.606
  271   1HH2  ARG  30          2HH1      ARG  30   1.589 -22.889  -1.482
  272   2HH2  ARG  30          1HH1      ARG  30   2.151 -24.483  -1.946
  273    H    GLN  31           H        GLN  31   5.417 -16.047  -5.914
  274    HA   GLN  31           HA       GLN  31   7.215 -16.275  -8.248
  275   1HB   GLN  31          1HB       GLN  31   4.743 -16.414  -8.976
  276   2HB   GLN  31          2HB       GLN  31   4.632 -14.717  -8.485
  277   1HG   GLN  31          1HG       GLN  31   6.518 -14.208 -10.091
  278   2HG   GLN  31          2HG       GLN  31   6.577 -15.922 -10.521
  279   1HE2  GLN  31          2HE2      GLN  31   3.213 -13.793 -11.619
  280   2HE2  GLN  31          1HE2      GLN  31   4.289 -13.162 -10.371
  281    H    LYS  32           H        LYS  32   8.801 -14.840  -7.826
  282    HA   LYS  32           HA       LYS  32   8.508 -12.746  -5.794
  283   1HB   LYS  32          1HB       LYS  32  10.623 -13.305  -7.915
  284   2HB   LYS  32          2HB       LYS  32  10.712 -11.984  -6.768
  285   1HG   LYS  32          1HG       LYS  32  10.573 -14.919  -5.934
  286   2HG   LYS  32          2HG       LYS  32  12.059 -13.993  -6.257
  287   1HD   LYS  32          1HD       LYS  32  11.489 -12.354  -4.505
  288   2HD   LYS  32          2HD       LYS  32  10.023 -13.261  -4.146
  289   1HE   LYS  32          1HE       LYS  32  11.921 -13.653  -2.585
  290   2HE   LYS  32          2HE       LYS  32  11.232 -15.123  -3.311
  291   1HZ   LYS  32          1HZ       LYS  32  13.126 -15.170  -4.823
  292   2HZ   LYS  32          2HZ       LYS  32  13.801 -13.855  -4.081
  293   3HZ   LYS  32          3HZ       LYS  32  13.586 -15.273  -3.273
  294    H    ASN  33           H        ASN  33   8.541 -13.055  -9.347
  295    HA   ASN  33           HA       ASN  33   8.490 -10.194  -9.682
  296   1HB   ASN  33          1HB       ASN  33   8.871 -12.504 -11.421
  297   2HB   ASN  33          2HB       ASN  33   7.822 -11.308 -12.172
  298   1HD2  ASN  33          2HD2      ASN  33  11.739 -10.276 -11.418
  299   2HD2  ASN  33          1HD2      ASN  33  11.114 -11.768 -10.756
  300    HA   PRO  34           HA       PRO  34   4.073  -9.839  -9.443
  301   1HB   PRO  34          1HB       PRO  34   3.742  -7.174 -10.030
  302   2HB   PRO  34          2HB       PRO  34   4.572  -7.751  -8.557
  303   1HG   PRO  34          1HG       PRO  34   5.801  -6.982 -11.219
  304   2HG   PRO  34          2HG       PRO  34   6.212  -6.289  -9.640
  305   1HD   PRO  34          1HD       PRO  34   7.661  -8.331 -10.657
  306   2HD   PRO  34          2HD       PRO  34   7.213  -8.354  -8.935
  307    H    SER  35           H        SER  35   4.068 -11.384 -11.424
  308    HA   SER  35           HA       SER  35   4.019 -10.197 -14.064
  309   1HB   SER  35          1HB       SER  35   4.729 -12.558 -13.500
  310   2HB   SER  35          2HB       SER  35   3.006 -12.966 -13.387
  311    HG   SER  35           HG       SER  35   3.409 -13.347 -15.406
  312    H    LYS  36           H        LYS  36   1.262 -12.010 -12.560
  313    HA   LYS  36           HA       LYS  36  -0.678 -10.051 -13.271
  314   1HB   LYS  36          1HB       LYS  36  -1.623 -11.551 -15.210
  315   2HB   LYS  36          2HB       LYS  36  -0.389 -10.334 -15.516
  316   1HG   LYS  36          1HG       LYS  36   1.343 -11.891 -15.731
  317   2HG   LYS  36          2HG       LYS  36   0.459 -13.207 -14.995
  318   1HD   LYS  36          1HD       LYS  36   0.778 -13.459 -17.392
  319   2HD   LYS  36          2HD       LYS  36  -0.936 -13.454 -16.971
  320   1HE   LYS  36          1HE       LYS  36  -1.305 -11.303 -17.890
  321   2HE   LYS  36          2HE       LYS  36   0.393 -10.834 -17.722
  322   1HZ   LYS  36          2HZ       LYS  36   0.978 -12.295 -19.488
  323   2HZ   LYS  36          3HZ       LYS  36  -0.618 -12.707 -19.762
  324   3HZ   LYS  36          1HZ       LYS  36  -0.101 -11.142 -19.927
  325    H    GLU  37           H        GLU  37  -1.097 -13.478 -14.018
  326    HA   GLU  37           HA       GLU  37  -3.050 -14.329 -12.543
  327   1HB   GLU  37          1HB       GLU  37  -0.987 -15.494 -13.939
  328   2HB   GLU  37          2HB       GLU  37  -0.598 -16.101 -12.340
  329   1HG   GLU  37          1HG       GLU  37  -2.772 -17.199 -12.185
  330   2HG   GLU  37          2HG       GLU  37  -3.324 -16.392 -13.666
  331    H    GLU  38           H        GLU  38   0.226 -14.360 -11.250
  332    HA   GLU  38           HA       GLU  38   0.118 -14.867  -8.606
  333   1HB   GLU  38          1HB       GLU  38   2.183 -14.403  -9.268
  334   2HB   GLU  38          2HB       GLU  38   1.695 -13.114 -10.369
  335   1HG   GLU  38          1HG       GLU  38   1.747 -12.643  -7.380
  336   2HG   GLU  38          2HG       GLU  38   3.197 -12.545  -8.363
  337    H    ARG  39           H        ARG  39  -0.838 -11.672  -9.970
  338    HA   ARG  39           HA       ARG  39  -1.279 -10.599  -7.371
  339   1HB   ARG  39          1HB       ARG  39  -1.012  -9.579  -9.886
  340   2HB   ARG  39          2HB       ARG  39  -2.703  -9.186  -9.508
  341   1HG   ARG  39          1HG       ARG  39  -2.062  -8.135  -7.392
  342   2HG   ARG  39          2HG       ARG  39  -0.386  -8.602  -7.607
  343   1HD   ARG  39          1HD       ARG  39  -1.961  -6.448  -8.977
  344   2HD   ARG  39          2HD       ARG  39  -0.328  -6.364  -8.305
  345    HE   ARG  39           HE       ARG  39  -1.169  -7.030 -10.991
  346   1HH1  ARG  39          2HH2      ARG  39   1.125  -8.394  -8.744
  347   2HH1  ARG  39          1HH2      ARG  39   2.020  -9.017  -9.959
  348   1HH2  ARG  39          2HH1      ARG  39   0.529  -7.312 -12.625
  349   2HH2  ARG  39          1HH1      ARG  39   2.053  -7.951 -12.111
  350    H    GLU  40           H        GLU  40  -3.409 -11.959  -9.888
  351    HA   GLU  40           HA       GLU  40  -5.899 -11.378  -8.609
  352   1HB   GLU  40          1HB       GLU  40  -4.965 -12.675 -11.003
  353   2HB   GLU  40          2HB       GLU  40  -6.125 -13.751 -10.214
  354   1HG   GLU  40          1HG       GLU  40  -7.884 -12.411 -10.665
  355   2HG   GLU  40          2HG       GLU  40  -7.043 -10.920 -10.319
  356    H    THR  41           H        THR  41  -3.838 -14.261  -8.701
  357    HA   THR  41           HA       THR  41  -4.967 -15.914  -6.786
  358    HB   THR  41           HB       THR  41  -2.247 -15.303  -7.825
  359    HG1  THR  41          1HG       THR  41  -3.238 -17.843  -7.362
  360   1HG2  THR  41          3HG2      THR  41  -2.537 -16.857  -5.266
  361   2HG2  THR  41          1HG2      THR  41  -1.147 -16.993  -6.366
  362   3HG2  THR  41          2HG2      THR  41  -1.494 -15.458  -5.580
  363    H    LEU  42           H        LEU  42  -2.589 -13.259  -6.205
  364    HA   LEU  42           HA       LEU  42  -2.530 -13.509  -3.436
  365   1HB   LEU  42          1HB       LEU  42  -1.765 -11.482  -5.426
  366   2HB   LEU  42          2HB       LEU  42  -2.268 -10.713  -3.930
  367    HG   LEU  42           HG       LEU  42  -0.411 -13.083  -3.799
  368   1HD1  LEU  42          1HD1      LEU  42   0.439 -10.265  -4.533
  369   2HD1  LEU  42          2HD1      LEU  42   1.505 -11.553  -3.955
  370   3HD1  LEU  42          3HD1      LEU  42   0.638 -11.741  -5.494
  371   1HD2  LEU  42          2HD2      LEU  42  -1.452 -11.925  -1.767
  372   2HD2  LEU  42          3HD2      LEU  42   0.325 -11.966  -1.769
  373   3HD2  LEU  42          1HD2      LEU  42  -0.535 -10.475  -2.209
  374    H    VAL  43           H        VAL  43  -4.652 -11.293  -5.298
  375    HA   VAL  43           HA       VAL  43  -5.882 -10.324  -2.897
  376    HB   VAL  43           HB       VAL  43  -6.907 -10.194  -5.763
  377   1HG1  VAL  43          1HG1      VAL  43  -7.725  -8.813  -3.177
  378   2HG1  VAL  43          2HG1      VAL  43  -8.136  -8.149  -4.767
  379   3HG1  VAL  43          3HG1      VAL  43  -8.763  -9.731  -4.282
  380   1HG2  VAL  43          2HG2      VAL  43  -5.273  -8.277  -4.022
  381   2HG2  VAL  43          3HG2      VAL  43  -4.721  -9.069  -5.510
  382   3HG2  VAL  43          1HG2      VAL  43  -6.005  -7.859  -5.572
  383    H    GLU  44           H        GLU  44  -6.706 -13.012  -5.095
  384    HA   GLU  44           HA       GLU  44  -9.215 -13.670  -3.958
  385   1HB   GLU  44          1HB       GLU  44  -8.428 -14.452  -6.124
  386   2HB   GLU  44          2HB       GLU  44  -7.101 -15.340  -5.391
  387   1HG   GLU  44          1HG       GLU  44  -8.914 -16.809  -6.080
  388   2HG   GLU  44          2HG       GLU  44  -8.605 -16.904  -4.342
  389    H    GLU  45           H        GLU  45  -6.063 -15.242  -3.447
  390    HA   GLU  45           HA       GLU  45  -6.763 -16.944  -1.381
  391   1HB   GLU  45          1HB       GLU  45  -4.363 -16.018  -2.677
  392   2HB   GLU  45          2HB       GLU  45  -4.032 -16.140  -1.002
  393   1HG   GLU  45          1HG       GLU  45  -3.909 -18.367  -1.053
  394   2HG   GLU  45          2HG       GLU  45  -5.388 -18.550  -1.998
  395    H    CYS  46           H        CYS  46  -5.564 -13.547  -1.207
  396    HA   CYS  46           HA       CYS  46  -5.450 -13.486   1.673
  397   1HB   CYS  46          1HB       CYS  46  -5.434 -11.403  -0.521
  398   2HB   CYS  46          2HB       CYS  46  -5.797 -10.872   1.121
  399    HG   CYS  46           HG       CYS  46  -3.767 -11.516   2.283
  400    H    ASN  47           H        ASN  47  -7.966 -12.557  -0.736
  401    HA   ASN  47           HA       ASN  47  -9.963 -11.464   0.950
  402   1HB   ASN  47          1HB       ASN  47  -9.928 -12.820  -1.735
  403   2HB   ASN  47          2HB       ASN  47 -11.397 -13.069  -0.847
  404   1HD2  ASN  47          2HD2      ASN  47 -10.579  -9.420  -2.424
  405   2HD2  ASN  47          1HD2      ASN  47  -9.371 -10.705  -2.378
  406    H    ARG  48           H        ARG  48  -9.491 -14.757  -0.160
  407    HA   ARG  48           HA       ARG  48 -11.498 -16.081   1.216
  408   1HB   ARG  48          1HB       ARG  48 -10.009 -16.793  -0.673
  409   2HB   ARG  48          2HB       ARG  48  -8.710 -17.123   0.474
  410   1HG   ARG  48          1HG       ARG  48  -9.969 -18.885   1.515
  411   2HG   ARG  48          2HG       ARG  48 -11.448 -18.415   0.656
  412   1HD   ARG  48          1HD       ARG  48  -8.869 -19.338  -0.719
  413   2HD   ARG  48          2HD       ARG  48 -10.210 -20.418  -0.388
  414    HE   ARG  48           HE       ARG  48 -10.016 -18.407  -2.507
  415   1HH1  ARG  48          2HH2      ARG  48 -12.360 -20.085  -0.424
  416   2HH1  ARG  48          1HH2      ARG  48 -13.624 -20.037  -1.608
  417   1HH2  ARG  48          2HH1      ARG  48 -11.734 -18.200  -3.950
  418   2HH2  ARG  48          1HH1      ARG  48 -13.098 -19.293  -3.865
  419    H    ALA  49           H        ALA  49  -8.064 -15.595   2.166
  420    HA   ALA  49           HA       ALA  49  -8.329 -16.798   4.739
  421   1HB   ALA  49          3HB       ALA  49  -6.208 -16.366   3.593
  422   2HB   ALA  49          1HB       ALA  49  -6.393 -14.615   3.896
  423   3HB   ALA  49          2HB       ALA  49  -6.220 -15.755   5.254
  424    H    GLU  50           H        GLU  50  -8.907 -13.401   3.755
  425    HA   GLU  50           HA       GLU  50  -9.390 -12.654   6.544
  426   1HB   GLU  50          1HB       GLU  50  -9.440 -11.282   3.918
  427   2HB   GLU  50          2HB       GLU  50 -10.354 -10.577   5.276
  428   1HG   GLU  50          1HG       GLU  50  -7.479 -11.379   5.728
  429   2HG   GLU  50          2HG       GLU  50  -7.852  -9.896   4.832
  430    H    CYS  51           H        CYS  51 -11.270 -14.244   4.106
  431    HA   CYS  51           HA       CYS  51 -13.756 -13.772   5.472
  432   1HB   CYS  51          1HB       CYS  51 -14.734 -15.185   4.128
  433   2HB   CYS  51          2HB       CYS  51 -13.247 -15.157   3.158
  434    HG   CYS  51           HG       CYS  51 -12.305 -17.365   4.310
  435    H    ILE  52           H        ILE  52 -10.977 -15.946   6.105
  436    HA   ILE  52           HA       ILE  52 -12.457 -17.728   7.796
  437    HB   ILE  52           HB       ILE  52  -9.450 -17.164   7.656
  438   1HG1  ILE  52          1HG1      ILE  52 -11.138 -19.357   6.360
  439   2HG1  ILE  52          2HG1      ILE  52 -10.468 -17.959   5.516
  440   1HG2  ILE  52          3HG2      ILE  52 -10.926 -19.485   8.932
  441   2HG2  ILE  52          1HG2      ILE  52  -9.168 -19.356   8.735
  442   3HG2  ILE  52          2HG2      ILE  52 -10.002 -18.223   9.780
  443   1HD1  ILE  52          3HD1      ILE  52  -8.154 -18.716   6.254
  444   2HD1  ILE  52          1HD1      ILE  52  -8.919 -20.250   6.741
  445   3HD1  ILE  52          2HD1      ILE  52  -8.985 -19.719   5.060
  446    H    GLN  53           H        GLN  53 -10.622 -14.766   8.363
  447    HA   GLN  53           HA       GLN  53 -10.614 -14.650  11.174
  448   1HB   GLN  53          1HB       GLN  53 -10.964 -12.536   9.034
  449   2HB   GLN  53          2HB       GLN  53 -11.340 -12.101  10.688
  450   1HG   GLN  53          1HG       GLN  53  -9.028 -11.562  10.461
  451   2HG   GLN  53          2HG       GLN  53  -9.143 -12.975  11.498
  452   1HE2  GLN  53          2HE2      GLN  53  -7.167 -13.009   7.943
  453   2HE2  GLN  53          1HE2      GLN  53  -8.423 -11.812   8.237
  454    H    ARG  54           H        ARG  54 -13.404 -14.511   9.055
  455    HA   ARG  54           HA       ARG  54 -15.089 -14.017  11.395
  456   1HB   ARG  54          1HB       ARG  54 -14.524 -12.186   9.087
  457   2HB   ARG  54          2HB       ARG  54 -16.227 -12.364   9.405
  458   1HG   ARG  54          1HG       ARG  54 -14.076 -11.348  11.298
  459   2HG   ARG  54          2HG       ARG  54 -15.464 -10.500  10.611
  460   1HD   ARG  54          1HD       ARG  54 -15.309 -12.251  12.995
  461   2HD   ARG  54          2HD       ARG  54 -16.382 -10.873  12.676
  462    HE   ARG  54           HE       ARG  54 -17.113 -12.965  10.943
  463   1HH1  ARG  54          2HH2      ARG  54 -16.905 -12.667  14.463
  464   2HH1  ARG  54          1HH2      ARG  54 -17.869 -14.090  14.735
  465   1HH2  ARG  54          2HH1      ARG  54 -18.477 -14.782  11.335
  466   2HH2  ARG  54          1HH1      ARG  54 -19.128 -14.960  12.956
  467    H    GLY  55           H        GLY  55 -14.555 -16.128   9.077
  468   1HA   GLY  55          1HA       GLY  55 -15.802 -17.782   8.137
  469   2HA   GLY  55          2HA       GLY  55 -17.263 -17.201   8.934
  470    H    VAL  56           H        VAL  56 -17.843 -14.847   8.126
  471    HA   VAL  56           HA       VAL  56 -18.682 -13.516   6.518
  472    HB   VAL  56           HB       VAL  56 -15.910 -14.081   5.762
  473   1HG1  VAL  56          1HG1      VAL  56 -16.800 -14.535   3.516
  474   2HG1  VAL  56          2HG1      VAL  56 -17.587 -12.949   3.516
  475   3HG1  VAL  56          3HG1      VAL  56 -15.836 -13.057   3.606
  476   1HG2  VAL  56          1HG2      VAL  56 -16.833 -12.140   7.087
  477   2HG2  VAL  56          2HG2      VAL  56 -15.669 -11.790   5.817
  478   3HG2  VAL  56          3HG2      VAL  56 -17.394 -11.471   5.534
  479    H    SER  57           H        SER  57 -19.640 -13.502   4.144
  480    HA   SER  57           HA       SER  57 -20.715 -16.214   3.701
  481   1HB   SER  57          1HB       SER  57 -21.591 -13.546   3.116
  482   2HB   SER  57          2HB       SER  57 -21.472 -14.496   1.628
  483    HG   SER  57           HG       SER  57 -23.508 -14.779   2.748
  484    HA   PRO  58           HA       PRO  58 -16.955 -16.975   1.593
  485   1HB   PRO  58          1HB       PRO  58 -17.647 -19.081  -0.102
  486   2HB   PRO  58          2HB       PRO  58 -17.312 -19.232   1.644
  487   1HG   PRO  58          1HG       PRO  58 -19.988 -18.979   0.258
  488   2HG   PRO  58          2HG       PRO  58 -19.526 -20.106   1.565
  489   1HD   PRO  58          1HD       PRO  58 -20.896 -17.834   2.093
  490   2HD   PRO  58          2HD       PRO  58 -19.583 -18.362   3.195
  491    H    SER  59           H        SER  59 -19.860 -16.675  -0.456
  492    HA   SER  59           HA       SER  59 -18.397 -15.903  -2.830
  493   1HB   SER  59          1HB       SER  59 -20.919 -15.387  -3.451
  494   2HB   SER  59          2HB       SER  59 -20.411 -17.060  -3.185
  495    HG   SER  59           HG       SER  59 -21.930 -15.398  -1.494
  496    H    GLN  60           H        GLN  60 -18.785 -14.202  -0.025
  497    HA   GLN  60           HA       GLN  60 -18.524 -11.624  -1.459
  498   1HB   GLN  60          1HB       GLN  60 -20.215 -12.059   1.037
  499   2HB   GLN  60          2HB       GLN  60 -19.793 -10.493   0.323
  500   1HG   GLN  60          1HG       GLN  60 -21.719 -10.615  -0.777
  501   2HG   GLN  60          2HG       GLN  60 -20.930 -11.781  -1.843
  502   1HE2  GLN  60          2HE2      GLN  60 -23.618 -13.007   1.064
  503   2HE2  GLN  60          1HE2      GLN  60 -22.638 -11.564   1.336
  504    H    ALA  61           H        ALA  61 -16.360 -12.914  -0.969
  505    HA   ALA  61           HA       ALA  61 -15.237 -12.144   1.648
  506   1HB   ALA  61          1HB       ALA  61 -14.289 -14.096   0.447
  507   2HB   ALA  61          2HB       ALA  61 -13.839 -13.025  -0.900
  508   3HB   ALA  61          3HB       ALA  61 -13.112 -12.800   0.710
  509    H    GLN  62           H        GLN  62 -15.733 -10.897  -1.569
  510    HA   GLN  62           HA       GLN  62 -14.261  -8.478  -1.272
  511   1HB   GLN  62          1HB       GLN  62 -15.026  -8.744  -3.368
  512   2HB   GLN  62          2HB       GLN  62 -16.656  -9.188  -2.870
  513   1HG   GLN  62          1HG       GLN  62 -15.629  -6.363  -2.477
  514   2HG   GLN  62          2HG       GLN  62 -16.249  -6.917  -4.008
  515   1HE2  GLN  62          2HE2      GLN  62 -18.919  -5.984  -1.089
  516   2HE2  GLN  62          1HE2      GLN  62 -17.198  -5.877  -0.782
  517    H    GLY  63           H        GLY  63 -17.221  -9.567   0.227
  518   1HA   GLY  63          1HA       GLY  63 -18.464  -7.312   1.212
  519   2HA   GLY  63          2HA       GLY  63 -18.366  -8.877   2.046
  520    H    LEU  64           H        LEU  64 -15.507  -8.891   2.426
  521    HA   LEU  64           HA       LEU  64 -14.947  -7.907   4.898
  522   1HB   LEU  64          1HB       LEU  64 -13.305  -8.077   2.358
  523   2HB   LEU  64          2HB       LEU  64 -12.596  -7.441   3.828
  524    HG   LEU  64           HG       LEU  64 -12.564  -9.395   4.968
  525   1HD1  LEU  64          1HD1      LEU  64 -14.581 -10.659   3.167
  526   2HD1  LEU  64          2HD1      LEU  64 -13.663 -11.426   4.466
  527   3HD1  LEU  64          3HD1      LEU  64 -14.784 -10.088   4.825
  528   1HD2  LEU  64          2HD2      LEU  64 -12.128 -10.070   2.015
  529   2HD2  LEU  64          3HD2      LEU  64 -10.930  -9.469   3.171
  530   3HD2  LEU  64          1HD2      LEU  64 -11.634 -11.096   3.352
  531    H    GLY  65           H        GLY  65 -14.879  -5.955   1.931
  532   1HA   GLY  65          1HA       GLY  65 -14.790  -3.710   1.587
  533   2HA   GLY  65          2HA       GLY  65 -15.728  -3.624   3.093
  534    H    SER  66           H        SER  66 -14.607  -3.126   5.070
  535    HA   SER  66           HA       SER  66 -12.325  -1.374   4.764
  536   1HB   SER  66          1HB       SER  66 -14.132  -1.137   6.499
  537   2HB   SER  66          2HB       SER  66 -13.485  -2.565   7.308
  538    HG   SER  66           HG       SER  66 -11.642  -1.425   7.796
  539    H    ASN  67           H        ASN  67 -12.794  -4.811   5.504
  540    HA   ASN  67           HA       ASN  67  -9.912  -5.194   6.178
  541   1HB   ASN  67          1HB       ASN  67 -12.324  -7.041   6.052
  542   2HB   ASN  67          2HB       ASN  67 -10.671  -7.639   6.157
  543   1HD2  ASN  67          2HD2      ASN  67 -12.372  -6.211   9.496
  544   2HD2  ASN  67          1HD2      ASN  67 -13.180  -5.772   7.991
  545    H    LEU  68           H        LEU  68 -11.766  -4.888   3.287
  546    HA   LEU  68           HA       LEU  68 -11.043  -7.315   2.047
  547   1HB   LEU  68          1HB       LEU  68 -12.879  -6.041   1.210
  548   2HB   LEU  68          2HB       LEU  68 -11.848  -4.641   0.853
  549    HG   LEU  68           HG       LEU  68 -10.697  -5.973  -0.898
  550   1HD1  LEU  68          2HD1      LEU  68 -12.630  -8.097   0.075
  551   2HD1  LEU  68          3HD1      LEU  68 -11.935  -8.128  -1.561
  552   3HD1  LEU  68          1HD1      LEU  68 -10.886  -8.236  -0.140
  553   1HD2  LEU  68          1HD2      LEU  68 -13.700  -5.795  -1.136
  554   2HD2  LEU  68          2HD2      LEU  68 -12.485  -4.570  -1.572
  555   3HD2  LEU  68          3HD2      LEU  68 -12.573  -6.078  -2.486
  556    H    VAL  69           H        VAL  69  -9.135  -7.881   1.210
  557    HA   VAL  69           HA       VAL  69  -6.883  -6.141   0.715
  558    HB   VAL  69           HB       VAL  69  -6.344  -8.354   1.188
  559   1HG1  VAL  69          3HG1      VAL  69  -8.567  -9.064  -0.704
  560   2HG1  VAL  69          1HG1      VAL  69  -7.219 -10.165  -0.567
  561   3HG1  VAL  69          2HG1      VAL  69  -8.154  -9.730   0.878
  562   1HG2  VAL  69          2HG2      VAL  69  -5.026  -7.265  -0.607
  563   2HG2  VAL  69          3HG2      VAL  69  -5.042  -9.036  -0.734
  564   3HG2  VAL  69          1HG2      VAL  69  -6.035  -8.060  -1.824
  565    H    THR  70           H        THR  70  -6.993  -4.565  -0.810
  566    HA   THR  70           HA       THR  70  -8.231  -5.215  -3.456
  567    HB   THR  70           HB       THR  70  -8.257  -2.826  -3.752
  568    HG1  THR  70          1HG       THR  70  -6.552  -2.346  -2.209
  569   1HG2  THR  70          3HG2      THR  70 -10.228  -3.967  -2.777
  570   2HG2  THR  70          1HG2      THR  70  -9.623  -3.610  -1.144
  571   3HG2  THR  70          2HG2      THR  70 -10.083  -2.283  -2.233
  572    H    GLU  71           H        GLU  71  -7.018  -4.870  -5.322
  573    HA   GLU  71           HA       GLU  71  -4.504  -5.880  -5.488
  574   1HB   GLU  71          1HB       GLU  71  -5.719  -3.690  -7.309
  575   2HB   GLU  71          2HB       GLU  71  -4.301  -4.645  -7.632
  576   1HG   GLU  71          1HG       GLU  71  -5.814  -5.767  -8.854
  577   2HG   GLU  71          2HG       GLU  71  -5.812  -6.744  -7.395
  578    H    VAL  72           H        VAL  72  -5.384  -2.384  -5.434
  579    HA   VAL  72           HA       VAL  72  -2.848  -1.344  -5.820
  580    HB   VAL  72           HB       VAL  72  -5.060  -0.125  -5.781
  581   1HG1  VAL  72          2HG1      VAL  72  -5.820  -0.852  -3.504
  582   2HG1  VAL  72          3HG1      VAL  72  -4.553   0.156  -2.775
  583   3HG1  VAL  72          1HG1      VAL  72  -5.846   0.905  -3.716
  584   1HG2  VAL  72          1HG2      VAL  72  -2.889   1.018  -6.034
  585   2HG2  VAL  72          2HG2      VAL  72  -4.089   2.017  -5.198
  586   3HG2  VAL  72          3HG2      VAL  72  -2.795   1.231  -4.272
  587    H    ARG  73           H        ARG  73  -4.161  -2.741  -2.873
  588    HA   ARG  73           HA       ARG  73  -2.149  -1.609  -1.114
  589   1HB   ARG  73          1HB       ARG  73  -4.552  -2.753  -0.621
  590   2HB   ARG  73          2HB       ARG  73  -3.543  -4.188  -0.489
  591   1HG   ARG  73          1HG       ARG  73  -3.322  -3.480   1.654
  592   2HG   ARG  73          2HG       ARG  73  -1.972  -2.591   1.007
  593   1HD   ARG  73          1HD       ARG  73  -4.571  -1.128   0.761
  594   2HD   ARG  73          2HD       ARG  73  -4.195  -1.577   2.386
  595    HE   ARG  73           HE       ARG  73  -2.020  -0.239   0.864
  596   1HH1  ARG  73          2HH2      ARG  73  -4.382  -0.020   3.539
  597   2HH1  ARG  73          1HH2      ARG  73  -4.053   1.641   3.843
  598   1HH2  ARG  73          2HH1      ARG  73  -1.357   1.883   1.554
  599   2HH2  ARG  73          1HH1      ARG  73  -2.229   2.640   2.849
  600    H    VAL  74           H        VAL  74  -2.699  -4.668  -2.897
  601    HA   VAL  74           HA       VAL  74  -0.390  -6.042  -1.927
  602    HB   VAL  74           HB       VAL  74  -2.065  -6.358  -4.453
  603   1HG1  VAL  74          1HG1      VAL  74   0.200  -7.258  -4.907
  604   2HG1  VAL  74          2HG1      VAL  74   0.096  -8.222  -3.415
  605   3HG1  VAL  74          3HG1      VAL  74  -1.022  -8.523  -4.764
  606   1HG2  VAL  74          1HG2      VAL  74  -3.210  -6.871  -2.307
  607   2HG2  VAL  74          2HG2      VAL  74  -2.949  -8.320  -3.289
  608   3HG2  VAL  74          3HG2      VAL  74  -1.893  -8.000  -1.905
  609    H    TYR  75           H        TYR  75  -1.042  -3.977  -4.767
  610    HA   TYR  75           HA       TYR  75   1.481  -3.977  -5.922
  611   1HB   TYR  75          1HB       TYR  75  -0.803  -2.828  -6.610
  612   2HB   TYR  75          2HB       TYR  75  -0.134  -1.419  -5.798
  613    HD1  TYR  75          1HD       TYR  75   2.159  -0.536  -6.591
  614    HD2  TYR  75          2HD       TYR  75  -0.031  -3.574  -8.736
  615    HE1  TYR  75          1HE       TYR  75   3.625  -0.220  -8.556
  616    HE2  TYR  75          2HE       TYR  75   1.434  -3.233 -10.701
  617    HH   TYR  75           HH       TYR  75   3.851  -0.624 -10.868
  618    H    ASN  76           H        ASN  76   0.225  -1.778  -3.355
  619    HA   ASN  76           HA       ASN  76   2.687  -0.390  -2.936
  620   1HB   ASN  76          1HB       ASN  76   0.246  -0.795  -1.197
  621   2HB   ASN  76          2HB       ASN  76   1.705  -0.048  -0.557
  622   1HD2  ASN  76          2HD2      ASN  76  -0.621   2.137  -3.057
  623   2HD2  ASN  76          1HD2      ASN  76  -0.944   0.414  -2.845
  624    H    TRP  77           H        TRP  77   1.454  -3.418  -1.454
  625    HA   TRP  77           HA       TRP  77   3.532  -3.616   0.491
  626   1HB   TRP  77          1HB       TRP  77   2.239  -5.237   1.201
  627   2HB   TRP  77          2HB       TRP  77   1.251  -5.168  -0.238
  628    HD1  TRP  77           HD       TRP  77   1.514  -7.039  -1.968
  629    HE1  TRP  77          1HE       TRP  77   2.809  -9.227  -2.162
  630    HE3  TRP  77          3HE       TRP  77   4.369  -6.628   2.260
  631    HZ2  TRP  77          2HZ       TRP  77   4.577 -10.753  -0.501
  632    HZ3  TRP  77          3HZ       TRP  77   5.485  -8.639   3.129
  633    HH2  TRP  77           HH       TRP  77   5.740 -10.664   1.710
  634    H    PHE  78           H        PHE  78   3.205  -5.303  -2.700
  635    HA   PHE  78           HA       PHE  78   5.838  -6.316  -2.580
  636   1HB   PHE  78          1HB       PHE  78   3.912  -5.893  -4.882
  637   2HB   PHE  78          2HB       PHE  78   5.585  -6.322  -5.202
  638    HD1  PHE  78          2HD       PHE  78   6.229  -8.325  -3.048
  639    HD2  PHE  78          1HD       PHE  78   2.956  -7.946  -5.853
  640    HE1  PHE  78          2HE       PHE  78   5.703 -10.693  -2.755
  641    HE2  PHE  78          1HE       PHE  78   2.690 -10.391  -5.788
  642    HZ   PHE  78           HZ       PHE  78   3.883 -11.749  -4.059
  643    H    ALA  79           H        ALA  79   4.596  -3.277  -3.937
  644    HA   ALA  79           HA       ALA  79   7.008  -2.355  -5.043
  645   1HB   ALA  79          3HB       ALA  79   4.791  -0.760  -3.703
  646   2HB   ALA  79          1HB       ALA  79   6.069  -0.067  -4.699
  647   3HB   ALA  79          2HB       ALA  79   4.899  -1.174  -5.433
  648    H    ASN  80           H        ASN  80   6.078  -2.614  -1.609
  649    HA   ASN  80           HA       ASN  80   8.431  -0.962  -0.916
  650   1HB   ASN  80          1HB       ASN  80   6.243  -0.772   0.329
  651   2HB   ASN  80          2HB       ASN  80   6.585  -2.362   1.037
  652   1HD2  ASN  80          2HD2      ASN  80   9.013  -1.048   3.299
  653   2HD2  ASN  80          1HD2      ASN  80   8.011  -2.402   2.811
  654    H    ARG  81           H        ARG  81   7.336  -4.340  -0.609
  655    HA   ARG  81           HA       ARG  81   9.560  -5.533   0.621
  656   1HB   ARG  81          1HB       ARG  81   7.820  -6.458  -1.697
  657   2HB   ARG  81          2HB       ARG  81   9.054  -7.476  -0.997
  658   1HG   ARG  81          1HG       ARG  81   6.748  -6.305   0.622
  659   2HG   ARG  81          2HG       ARG  81   6.746  -7.894  -0.158
  660   1HD   ARG  81          1HD       ARG  81   7.753  -8.789   1.655
  661   2HD   ARG  81          2HD       ARG  81   9.175  -7.865   1.219
  662    HE   ARG  81           HE       ARG  81   7.147  -6.442   2.832
  663   1HH1  ARG  81          2HH2      ARG  81  10.012  -8.513   2.979
  664   2HH1  ARG  81          1HH2      ARG  81  10.831  -7.541   4.161
  665   1HH2  ARG  81          2HH1      ARG  81   8.045  -5.417   4.690
  666   2HH2  ARG  81          1HH1      ARG  81   9.606  -5.906   5.267
  667    H    ARG  82           H        ARG  82   9.066  -4.856  -2.851
  668    HA   ARG  82           HA       ARG  82  11.388  -5.442  -4.121
  669   1HB   ARG  82          1HB       ARG  82   9.661  -2.952  -4.111
  670   2HB   ARG  82          2HB       ARG  82  11.112  -2.952  -5.104
  671   1HG   ARG  82          1HG       ARG  82   9.111  -5.197  -5.312
  672   2HG   ARG  82          2HG       ARG  82   8.865  -3.651  -6.148
  673   1HD   ARG  82          1HD       ARG  82  11.052  -3.842  -7.283
  674   2HD   ARG  82          2HD       ARG  82  11.395  -5.367  -6.441
  675    HE   ARG  82           HE       ARG  82   8.942  -5.775  -7.650
  676   1HH1  ARG  82          2HH2      ARG  82  12.259  -5.084  -8.757
  677   2HH1  ARG  82          1HH2      ARG  82  12.096  -6.151 -10.125
  678   1HH2  ARG  82          2HH1      ARG  82   8.933  -7.154  -9.401
  679   2HH2  ARG  82          1HH1      ARG  82   9.826  -6.719 -10.852
  680    H    LYS  83           H        LYS  83  10.898  -2.502  -2.118
  681    HA   LYS  83           HA       LYS  83  13.593  -1.696  -2.723
  682   1HB   LYS  83          1HB       LYS  83  11.484  -0.181  -2.459
  683   2HB   LYS  83          2HB       LYS  83  11.704  -0.410  -0.719
  684   1HG   LYS  83          1HG       LYS  83  12.772   1.613  -1.182
  685   2HG   LYS  83          2HG       LYS  83  14.097   0.468  -1.060
  686   1HD   LYS  83          1HD       LYS  83  14.649   1.769  -2.898
  687   2HD   LYS  83          2HD       LYS  83  13.963   0.358  -3.698
  688   1HE   LYS  83          1HE       LYS  83  11.955   2.504  -3.045
  689   2HE   LYS  83          2HE       LYS  83  13.278   3.064  -4.063
  690   1HZ   LYS  83          2HZ       LYS  83  11.498   0.798  -4.762
  691   2HZ   LYS  83          3HZ       LYS  83  11.424   2.302  -5.311
  692   3HZ   LYS  83          1HZ       LYS  83  12.740   1.407  -5.680
  693    H    GLU  84           H        GLU  84  11.892  -2.980   0.097
  694    HA   GLU  84           HA       GLU  84  14.076  -2.961   1.946
  695   1HB   GLU  84          1HB       GLU  84  11.413  -3.805   1.936
  696   2HB   GLU  84          2HB       GLU  84  12.283  -5.334   1.994
  697   1HG   GLU  84          1HG       GLU  84  13.432  -4.650   4.039
  698   2HG   GLU  84          2HG       GLU  84  12.805  -3.000   3.906
  699    H    GLU  85           H        GLU  85  13.308  -5.057  -0.795
  700    HA   GLU  85           HA       GLU  85  15.289  -7.059  -0.040
  701   1HB   GLU  85          1HB       GLU  85  13.302  -7.731  -1.214
  702   2HB   GLU  85          2HB       GLU  85  13.619  -6.651  -2.572
  703   1HG   GLU  85          1HG       GLU  85  15.471  -7.975  -3.331
  704   2HG   GLU  85          2HG       GLU  85  15.612  -8.748  -1.757
  705    H    ALA  86           H        ALA  86  14.917  -4.574  -2.488
  706    HA   ALA  86           HA       ALA  86  17.376  -4.673  -3.779
  707   1HB   ALA  86          2HB       ALA  86  15.366  -3.444  -4.564
  708   2HB   ALA  86          3HB       ALA  86  15.661  -2.216  -3.305
  709   3HB   ALA  86          1HB       ALA  86  16.829  -2.464  -4.608
  710    H    PHE  87           H        PHE  87  16.511  -3.213  -0.661
  711    HA   PHE  87           HA       PHE  87  18.717  -1.557  -0.230
  712   1HB   PHE  87          1HB       PHE  87  16.726  -2.832   1.464
  713   2HB   PHE  87          2HB       PHE  87  18.291  -2.885   2.237
  714    HD1  PHE  87          1HD       PHE  87  15.867  -0.543   0.553
  715    HD2  PHE  87          2HD       PHE  87  19.066  -0.975   3.417
  716    HE1  PHE  87          1HE       PHE  87  15.546   1.798   1.276
  717    HE2  PHE  87          2HE       PHE  87  18.858   1.421   3.991
  718    HZ   PHE  87           HZ       PHE  87  17.066   2.801   2.953
  719    H    ARG  88           H        ARG  88  18.570  -5.054   0.706
  720    HA   ARG  88           HA       ARG  88  21.365  -5.181   1.275
  721   1HB   ARG  88          1HB       ARG  88  19.595  -6.864   1.979
  722   2HB   ARG  88          2HB       ARG  88  19.569  -7.410   0.296
  723   1HG   ARG  88          1HG       ARG  88  21.066  -8.912   0.991
  724   2HG   ARG  88          2HG       ARG  88  22.262  -7.644   0.792
  725   1HD   ARG  88          1HD       ARG  88  20.865  -8.454   3.384
  726   2HD   ARG  88          2HD       ARG  88  22.507  -8.845   2.850
  727    HE   ARG  88           HE       ARG  88  21.846  -5.953   3.201
  728   1HH1  ARG  88          2HH2      ARG  88  22.931  -8.898   4.863
  729   2HH1  ARG  88          1HH2      ARG  88  23.748  -8.017   6.120
  730   1HH2  ARG  88          2HH1      ARG  88  23.231  -4.817   4.647
  731   2HH2  ARG  88          1HH1      ARG  88  23.710  -5.656   6.078
  732    H    HIS  89           H        HIS  89  19.564  -5.330  -1.774
  733    HA   HIS  89           HA       HIS  89  21.632  -6.521  -3.319
  734   1HB   HIS  89          1HB       HIS  89  19.123  -6.130  -3.849
  735   2HB   HIS  89          2HB       HIS  89  19.665  -4.571  -4.509
  736    HD1  HIS  89          1HD       HIS  89  20.845  -8.273  -4.843
  737    HD2  HIS  89          2HD       HIS  89  19.920  -4.829  -7.086
  738    HE1  HIS  89          1HE       HIS  89  20.986  -8.937  -7.302
  739    H    LYS  90           H        LYS  90  20.871  -3.133  -2.536
  740    HA   LYS  90           HA       LYS  90  23.181  -2.170  -4.081
  741   1HB   LYS  90          1HB       LYS  90  22.685   0.054  -3.246
  742   2HB   LYS  90          2HB       LYS  90  21.395  -0.689  -4.146
  743   1HG   LYS  90          1HG       LYS  90  20.274  -1.208  -1.938
  744   2HG   LYS  90          2HG       LYS  90  21.539  -0.227  -1.174
  745   1HD   LYS  90          1HD       LYS  90  20.802   1.765  -2.350
  746   2HD   LYS  90          2HD       LYS  90  19.779   0.809  -3.416
  747   1HE   LYS  90          1HE       LYS  90  18.395   1.989  -1.801
  748   2HE   LYS  90          2HE       LYS  90  18.239   0.241  -1.637
  749   1HZ   LYS  90          2HZ       LYS  90  19.775   0.422   0.288
  750   2HZ   LYS  90          3HZ       LYS  90  19.750   2.062   0.164
  751   3HZ   LYS  90          1HZ       LYS  90  18.401   1.254   0.508
  752    H    LEU  91           H        LEU  91  22.428  -2.254  -0.520
  753    HA   LEU  91           HA       LEU  91  24.958  -1.200   0.015
  754   1HB   LEU  91          1HB       LEU  91  23.000  -2.518   1.934
  755   2HB   LEU  91          2HB       LEU  91  24.520  -1.732   2.357
  756    HG   LEU  91           HG       LEU  91  23.185  -0.015   2.850
  757   1HD1  LEU  91          1HD1      LEU  91  24.586   0.814   1.109
  758   2HD1  LEU  91          2HD1      LEU  91  23.345   0.502  -0.125
  759   3HD1  LEU  91          3HD1      LEU  91  23.037   1.687   1.157
  760   1HD2  LEU  91          3HD2      LEU  91  21.152  -1.223   2.524
  761   2HD2  LEU  91          1HD2      LEU  91  21.026   0.484   2.054
  762   3HD2  LEU  91          2HD2      LEU  91  21.150  -0.791   0.818
  763    H    ALA  92           H        ALA  92  23.761  -4.302   1.309
  764    HA   ALA  92           HA       ALA  92  24.848  -6.160   1.981
  765   1HB   ALA  92          1HB       ALA  92  24.841  -6.579  -0.449
  766   2HB   ALA  92          2HB       ALA  92  26.434  -5.825  -0.595
  767   3HB   ALA  92          3HB       ALA  92  26.235  -7.314   0.340
  768    H    MET  93           H        MET  93  26.030  -3.521   2.861
  769    HA   MET  93           HA       MET  93  28.217  -4.741   4.282
  770   1HB   MET  93          1HB       MET  93  30.006  -3.187   3.606
  771   2HB   MET  93          2HB       MET  93  29.462  -4.122   2.216
  772   1HG   MET  93          1HG       MET  93  28.244  -2.280   1.309
  773   2HG   MET  93          2HG       MET  93  28.452  -1.311   2.771
  774   1HE   MET  93          2HE       MET  93  30.410  -3.102  -0.140
  775   2HE   MET  93          3HE       MET  93  31.999  -2.324  -0.007
  776   3HE   MET  93          1HE       MET  93  31.459  -3.436   1.261
  777    H    ASP  94           H        ASP  94  25.589  -3.180   4.531
  778    HA   ASP  94           HA       ASP  94  26.406  -0.663   5.782
  779   1HB   ASP  94          1HB       ASP  94  23.954  -0.312   5.844
  780   2HB   ASP  94          2HB       ASP  94  24.680  -0.480   4.247
  781    H    THR  95           H        THR  95  27.470  -2.534   7.208
  782    HA   THR  95           HA       THR  95  27.736  -3.238   9.330
  783    HB   THR  95           HB       THR  95  25.426  -1.344  10.002
  784    HG1  THR  95          1HG       THR  95  27.661  -0.736   8.780
  785   1HG2  THR  95          1HG2      THR  95  27.794  -2.243  11.655
  786   2HG2  THR  95          2HG2      THR  95  26.571  -1.056  12.128
  787   3HG2  THR  95          3HG2      THR  95  26.121  -2.759  11.904
  788    H    TYR  96           H        TYR  96  24.161  -2.865   9.363
  789    HA   TYR  96           HA       TYR  96  23.989  -5.357  10.851
  790   1HB   TYR  96          1HB       TYR  96  21.996  -3.215  10.041
  791   2HB   TYR  96          2HB       TYR  96  21.492  -4.698  10.838
  792    HD1  TYR  96          2HD       TYR  96  22.166  -5.297  13.098
  793    HD2  TYR  96          1HD       TYR  96  23.373  -1.569  11.305
  794    HE1  TYR  96          2HE       TYR  96  23.084  -4.548  15.269
  795    HE2  TYR  96          1HE       TYR  96  24.412  -0.880  13.453
  796    HH   TYR  96           HH       TYR  96  25.333  -1.947  15.438
  797    H    LYS  97           H        LYS  97  22.089  -6.780  10.308
  798    HA   LYS  97           HA       LYS  97  22.082  -7.932   7.738
  799   1HB   LYS  97          1HB       LYS  97  20.125  -9.122   8.458
  800   2HB   LYS  97          2HB       LYS  97  21.353  -9.060   9.703
  801   1HG   LYS  97          1HG       LYS  97  19.388  -8.784  10.897
  802   2HG   LYS  97          2HG       LYS  97  20.023  -7.168  10.797
  803   1HD   LYS  97          1HD       LYS  97  18.036  -6.493  10.006
  804   2HD   LYS  97          2HD       LYS  97  18.321  -7.433   8.528
  805   1HE   LYS  97          1HE       LYS  97  17.066  -8.733  10.950
  806   2HE   LYS  97          2HE       LYS  97  16.148  -7.751   9.791
  807   1HZ   LYS  97          3HZ       LYS  97  16.883  -9.125   8.025
  808   2HZ   LYS  97          1HZ       LYS  97  17.671 -10.154   9.110
  809   3HZ   LYS  97          2HZ       LYS  97  16.037  -9.969   9.142
  810    H    LEU  98           H        LEU  98  19.780  -5.532   9.077
  811    HA   LEU  98           HA       LEU  98  18.108  -4.473   8.083
  812   1HB   LEU  98          1HB       LEU  98  20.027  -2.901   8.145
  813   2HB   LEU  98          2HB       LEU  98  20.375  -3.292   6.455
  814    HG   LEU  98           HG       LEU  98  18.063  -2.467   5.833
  815   1HD1  LEU  98          1HD1      LEU  98  17.903  -1.705   8.781
  816   2HD1  LEU  98          2HD1      LEU  98  16.846  -1.062   7.505
  817   3HD1  LEU  98          3HD1      LEU  98  16.793  -2.777   7.891
  818   1HD2  LEU  98          1HD2      LEU  98  19.781  -0.491   7.368
  819   2HD2  LEU  98          2HD2      LEU  98  19.972  -0.999   5.677
  820   3HD2  LEU  98          3HD2      LEU  98  18.536  -0.092   6.156
  821    H    ASN  99           H        ASN  99  17.250  -6.473   7.230
  822    HA   ASN  99           HA       ASN  99  16.489  -6.345   4.481
  823   1HB   ASN  99          2HB       ASN  99  17.437  -8.317   3.699
  824   2HB   ASN  99          3HB       ASN  99  18.809  -7.639   4.574
  825   1HD2  ASN  99          2HD2      ASN  99  17.145 -11.235   5.631
  826   2HD2  ASN  99          1HD2      ASN  99  16.876 -10.373   4.150
   
  No H/Q in entry =         826
  Start of MODEL   12
    1   1H    MET   0          3H        MET   0  -8.439  18.775  10.382
    2   2H    MET   0          1H        MET   0  -9.325  20.204  10.422
    3   3H    MET   0          2H        MET   0  -7.710  20.246  10.283
    4    HA   MET   0           HA       MET   0  -8.239  20.870  12.449
    5   1HB   MET   0          2HB       MET   0  -9.520  18.117  12.724
    6   2HB   MET   0          3HB       MET   0  -9.268  19.287  14.007
    7   1HG   MET   0          2HG       MET   0 -11.478  19.598  13.509
    8   2HG   MET   0          3HG       MET   0 -10.664  20.936  12.702
    9   1HE   MET   0          1HE       MET   0 -12.682  21.532  11.292
   10   2HE   MET   0          2HE       MET   0 -13.662  20.361  10.383
   11   3HE   MET   0          3HE       MET   0 -13.609  20.278  12.157
   12    H    ALA   1           H        ALA   1  -7.303  19.582  14.518
   13    HA   ALA   1           HA       ALA   1  -5.580  17.499  14.458
   14   1HB   ALA   1          3HB       ALA   1  -4.047  20.010  13.670
   15   2HB   ALA   1          1HB       ALA   1  -3.310  18.567  14.381
   16   3HB   ALA   1          2HB       ALA   1  -4.076  18.461  12.801
   17    H    ARG   2           H        ARG   2  -5.249  20.989  15.419
   18    HA   ARG   2           HA       ARG   2  -4.596  20.282  18.167
   19   1HB   ARG   2          1HB       ARG   2  -5.649  22.953  17.169
   20   2HB   ARG   2          2HB       ARG   2  -4.786  22.609  18.664
   21   1HG   ARG   2          1HG       ARG   2  -2.764  21.938  17.297
   22   2HG   ARG   2          2HG       ARG   2  -3.653  22.401  15.839
   23   1HD   ARG   2          1HD       ARG   2  -2.243  24.282  16.449
   24   2HD   ARG   2          2HD       ARG   2  -3.925  24.713  16.722
   25    HE   ARG   2           HE       ARG   2  -3.569  24.863  19.005
   26   1HH1  ARG   2          2HH2      ARG   2  -0.685  23.334  17.511
   27   2HH1  ARG   2          1HH2      ARG   2   0.226  23.482  19.000
   28   1HH2  ARG   2          2HH1      ARG   2  -2.422  24.873  20.858
   29   2HH2  ARG   2          1HH1      ARG   2  -0.715  24.506  20.910
   30    H    ILE   3           H        ILE   3  -6.131  20.740  19.958
   31    HA   ILE   3           HA       ILE   3  -7.935  20.009  20.993
   32    HB   ILE   3           HB       ILE   3  -8.939  22.057  20.757
   33   1HG1  ILE   3          1HG1      ILE   3 -10.956  19.924  19.936
   34   2HG1  ILE   3          2HG1      ILE   3 -10.363  20.300  21.559
   35   1HG2  ILE   3          2HG2      ILE   3  -8.609  22.605  18.389
   36   2HG2  ILE   3          3HG2      ILE   3  -9.971  21.531  17.960
   37   3HG2  ILE   3          1HG2      ILE   3 -10.216  22.957  18.964
   38   1HD1  ILE   3          2HD1      ILE   3 -11.381  22.612  21.239
   39   2HD1  ILE   3          3HD1      ILE   3 -12.115  21.994  19.739
   40   3HD1  ILE   3          1HD1      ILE   3 -12.516  21.251  21.291
   41    H    ASP   4           H        ASP   4  -9.463  19.672  17.746
   42    HA   ASP   4           HA       ASP   4  -9.955  16.889  18.553
   43   1HB   ASP   4          1HB       ASP   4 -11.799  16.876  17.002
   44   2HB   ASP   4          2HB       ASP   4 -11.953  18.158  18.217
   45    HA   PRO   5           HA       PRO   5  -7.042  15.812  15.351
   46   1HB   PRO   5          1HB       PRO   5  -7.393  13.124  15.249
   47   2HB   PRO   5          2HB       PRO   5  -6.623  13.936  16.633
   48   1HG   PRO   5          1HG       PRO   5  -9.515  13.016  16.467
   49   2HG   PRO   5          2HG       PRO   5  -8.342  12.783  17.782
   50   1HD   PRO   5          1HD       PRO   5 -10.187  14.793  17.780
   51   2HD   PRO   5          2HD       PRO   5  -8.551  15.019  18.475
   52    H    THR   6           H        THR   6 -10.294  14.371  15.222
   53    HA   THR   6           HA       THR   6 -11.588  13.571  13.589
   54    HB   THR   6           HB       THR   6 -12.161  14.963  11.793
   55    HG1  THR   6          1HG       THR   6  -9.627  16.113  12.161
   56   1HG2  THR   6          2HG2      THR   6 -12.778  15.734  14.081
   57   2HG2  THR   6          3HG2      THR   6 -11.334  16.769  14.101
   58   3HG2  THR   6          1HG2      THR   6 -12.614  17.060  12.919
   59    H    LYS   7           H        LYS   7  -9.314  12.131  13.843
   60    HA   LYS   7           HA       LYS   7  -7.952  11.740  11.352
   61   1HB   LYS   7          1HB       LYS   7  -6.822   9.936  12.431
   62   2HB   LYS   7          2HB       LYS   7  -6.849  11.333  13.484
   63   1HG   LYS   7          1HG       LYS   7  -8.967   9.209  13.879
   64   2HG   LYS   7          2HG       LYS   7  -7.300   8.847  14.330
   65   1HD   LYS   7          1HD       LYS   7  -7.231  10.934  15.720
   66   2HD   LYS   7          2HD       LYS   7  -8.974  11.128  15.441
   67   1HE   LYS   7          1HE       LYS   7  -7.614   8.784  16.838
   68   2HE   LYS   7          2HE       LYS   7  -8.459  10.122  17.619
   69   1HZ   LYS   7          2HZ       LYS   7 -10.491   9.354  16.425
   70   2HZ   LYS   7          3HZ       LYS   7  -9.644   8.061  15.884
   71   3HZ   LYS   7          1HZ       LYS   7  -9.851   8.264  17.501
   72    H    LYS   8           H        LYS   8 -10.702  11.472  10.719
   73    HA   LYS   8           HA       LYS   8 -11.252   8.589  10.503
   74   1HB   LYS   8          1HB       LYS   8 -13.314   9.250   9.368
   75   2HB   LYS   8          2HB       LYS   8 -13.191   9.789  11.032
   76   1HG   LYS   8          1HG       LYS   8 -12.396  11.716   8.837
   77   2HG   LYS   8          2HG       LYS   8 -14.101  11.359   9.041
   78   1HD   LYS   8          1HD       LYS   8 -12.411  12.152  11.416
   79   2HD   LYS   8          2HD       LYS   8 -13.047  13.387  10.323
   80   1HE   LYS   8          1HE       LYS   8 -14.871  11.301  11.624
   81   2HE   LYS   8          2HE       LYS   8 -14.303  12.705  12.522
   82   1HZ   LYS   8          3HZ       LYS   8 -15.271  14.124  10.791
   83   2HZ   LYS   8          1HZ       LYS   8 -16.003  12.827  10.105
   84   3HZ   LYS   8          2HZ       LYS   8 -16.330  13.230  11.666
   85    H    GLY   9           H        GLY   9  -8.995   8.586   9.305
   86   1HA   GLY   9          1HA       GLY   9  -8.769   7.927   6.810
   87   2HA   GLY   9          2HA       GLY   9  -9.180   9.632   6.529
   88    H    ARG  10           H        ARG  10  -6.656   7.500   7.275
   89    HA   ARG  10           HA       ARG  10  -4.774   9.607   6.859
   90   1HB   ARG  10          1HB       ARG  10  -3.312   9.024   8.720
   91   2HB   ARG  10          2HB       ARG  10  -4.805   9.722   9.333
   92   1HG   ARG  10          1HG       ARG  10  -4.455   6.715   9.125
   93   2HG   ARG  10          2HG       ARG  10  -3.710   7.624  10.435
   94   1HD   ARG  10          1HD       ARG  10  -5.698   8.000  11.527
   95   2HD   ARG  10          2HD       ARG  10  -6.623   8.168  10.045
   96    HE   ARG  10           HE       ARG  10  -7.333   6.040  10.301
   97   1HH1  ARG  10          2HH2      ARG  10  -4.095   6.170  11.815
   98   2HH1  ARG  10          1HH2      ARG  10  -3.882   4.422  11.647
   99   1HH2  ARG  10          2HH1      ARG  10  -7.254   3.800  10.989
  100   2HH2  ARG  10          1HH1      ARG  10  -5.670   3.102  11.292
  101    H    ARG  11           H        ARG  11  -2.565   8.428   6.431
  102    HA   ARG  11           HA       ARG  11  -2.977   6.177   4.830
  103   1HB   ARG  11          1HB       ARG  11  -1.018   7.822   4.678
  104   2HB   ARG  11          2HB       ARG  11  -0.357   7.004   6.084
  105   1HG   ARG  11          1HG       ARG  11   0.769   6.131   4.271
  106   2HG   ARG  11          2HG       ARG  11  -0.325   4.836   4.721
  107   1HD   ARG  11          1HD       ARG  11  -1.653   6.517   2.814
  108   2HD   ARG  11          2HD       ARG  11  -0.023   6.289   2.202
  109    HE   ARG  11           HE       ARG  11  -2.154   4.526   1.910
  110   1HH1  ARG  11          2HH2      ARG  11   1.236   4.054   3.001
  111   2HH1  ARG  11          1HH2      ARG  11   1.408   2.605   2.092
  112   1HH2  ARG  11          2HH1      ARG  11  -1.829   2.894   0.582
  113   2HH2  ARG  11          1HH1      ARG  11  -0.339   1.981   0.543
  114    H    ASN  12           H        ASN  12  -1.991   3.945   5.407
  115    HA   ASN  12           HA       ASN  12  -1.699   2.154   6.754
  116   1HB   ASN  12          1HB       ASN  12  -0.374   4.056   8.146
  117   2HB   ASN  12          2HB       ASN  12  -1.629   3.721   9.328
  118   1HD2  ASN  12          2HD2      ASN  12  -0.461   0.204   9.702
  119   2HD2  ASN  12          1HD2      ASN  12  -1.970   1.017   9.323
  120    H    ARG  13           H        ARG  13  -4.381   3.951   6.607
  121    HA   ARG  13           HA       ARG  13  -5.933   2.926   8.779
  122   1HB   ARG  13          1HB       ARG  13  -7.870   3.461   7.428
  123   2HB   ARG  13          2HB       ARG  13  -6.742   4.809   7.628
  124   1HG   ARG  13          1HG       ARG  13  -5.915   4.448   5.294
  125   2HG   ARG  13          2HG       ARG  13  -7.083   3.130   5.091
  126   1HD   ARG  13          1HD       ARG  13  -7.859   5.959   5.902
  127   2HD   ARG  13          2HD       ARG  13  -7.813   5.457   4.236
  128    HE   ARG  13           HE       ARG  13  -9.681   4.509   6.384
  129   1HH1  ARG  13          2HH2      ARG  13  -8.719   4.179   2.953
  130   2HH1  ARG  13          1HH2      ARG  13 -10.398   3.946   2.476
  131   1HH2  ARG  13          2HH1      ARG  13 -11.702   3.628   5.699
  132   2HH2  ARG  13          1HH1      ARG  13 -11.795   2.919   4.117
  133    H    PHE  14           H        PHE  14  -5.274   1.742   5.528
  134    HA   PHE  14           HA       PHE  14  -6.450  -0.915   6.073
  135   1HB   PHE  14          1HB       PHE  14  -6.406  -0.152   3.775
  136   2HB   PHE  14          2HB       PHE  14  -4.684   0.215   3.872
  137    HD1  PHE  14          2HD       PHE  14  -7.008  -2.753   4.355
  138    HD2  PHE  14          1HD       PHE  14  -3.080  -1.392   3.194
  139    HE1  PHE  14          2HE       PHE  14  -6.543  -4.955   3.327
  140    HE2  PHE  14          1HE       PHE  14  -2.602  -3.629   2.255
  141    HZ   PHE  14           HZ       PHE  14  -4.344  -5.373   2.241
  142    H    LYS  15           H        LYS  15  -5.248  -2.574   6.826
  143    HA   LYS  15           HA       LYS  15  -2.323  -2.487   6.838
  144   1HB   LYS  15          1HB       LYS  15  -2.260  -3.762   8.938
  145   2HB   LYS  15          2HB       LYS  15  -2.876  -2.137   9.235
  146   1HG   LYS  15          1HG       LYS  15  -5.072  -2.871   9.655
  147   2HG   LYS  15          2HG       LYS  15  -4.895  -4.335   8.697
  148   1HD   LYS  15          1HD       LYS  15  -3.210  -5.181  10.397
  149   2HD   LYS  15          2HD       LYS  15  -3.745  -3.862  11.464
  150   1HE   LYS  15          1HE       LYS  15  -6.084  -4.760  11.319
  151   2HE   LYS  15          2HE       LYS  15  -5.542  -6.001  10.179
  152   1HZ   LYS  15          3HZ       LYS  15  -4.013  -6.741  12.023
  153   2HZ   LYS  15          1HZ       LYS  15  -4.949  -5.840  13.038
  154   3HZ   LYS  15          2HZ       LYS  15  -5.616  -7.066  12.162
  155    H    TRP  16           H        TRP  16  -1.772  -5.067   7.067
  156    HA   TRP  16           HA       TRP  16  -3.809  -6.561   5.446
  157   1HB   TRP  16          1HB       TRP  16  -0.961  -7.178   6.282
  158   2HB   TRP  16          2HB       TRP  16  -2.044  -8.316   5.474
  159    HD1  TRP  16           HD       TRP  16   0.029  -5.221   4.756
  160    HE1  TRP  16          1HE       TRP  16   0.268  -4.953   2.231
  161    HE3  TRP  16          3HE       TRP  16  -3.559  -8.548   3.286
  162    HZ2  TRP  16          2HZ       TRP  16  -1.063  -5.988  -0.153
  163    HZ3  TRP  16          3HZ       TRP  16  -3.812  -9.109   0.893
  164    HH2  TRP  16           HH       TRP  16  -2.724  -7.700  -0.835
  165    H    GLY  17           H        GLY  17  -2.050  -8.519   7.629
  166   1HA   GLY  17          1HA       GLY  17  -3.378  -8.382  10.082
  167   2HA   GLY  17          2HA       GLY  17  -4.417  -9.313   8.981
  168    HA   PRO  18           HA       PRO  18  -1.172 -12.462  10.022
  169   1HB   PRO  18          1HB       PRO  18  -2.529 -13.991  11.814
  170   2HB   PRO  18          2HB       PRO  18  -1.527 -12.606  12.338
  171   1HG   PRO  18          1HG       PRO  18  -4.526 -12.708  12.001
  172   2HG   PRO  18          2HG       PRO  18  -3.586 -11.975  13.324
  173   1HD   PRO  18          1HD       PRO  18  -4.608 -10.589  11.115
  174   2HD   PRO  18          2HD       PRO  18  -3.214 -10.024  12.083
  175    H    ALA  19           H        ALA  19  -1.759 -14.669   9.263
  176    HA   ALA  19           HA       ALA  19  -2.676 -16.328   8.187
  177   1HB   ALA  19          1HB       ALA  19  -4.644 -15.971   9.617
  178   2HB   ALA  19          2HB       ALA  19  -5.329 -14.884   8.378
  179   3HB   ALA  19          3HB       ALA  19  -5.026 -16.598   7.993
  180    H    SER  20           H        SER  20  -4.085 -13.336   7.197
  181    HA   SER  20           HA       SER  20  -3.964 -13.168   4.417
  182   1HB   SER  20          1HB       SER  20  -4.627 -11.412   6.043
  183   2HB   SER  20          2HB       SER  20  -2.962 -11.314   6.622
  184    HG   SER  20           HG       SER  20  -3.797 -10.700   3.977
  185    H    GLN  21           H        GLN  21  -1.296 -12.986   6.815
  186    HA   GLN  21           HA       GLN  21   0.764 -12.411   5.007
  187   1HB   GLN  21          1HB       GLN  21   0.773 -13.857   7.710
  188   2HB   GLN  21          2HB       GLN  21   2.257 -13.634   6.776
  189   1HG   GLN  21          1HG       GLN  21   0.522 -11.389   7.808
  190   2HG   GLN  21          2HG       GLN  21   2.103 -11.884   8.416
  191   1HE2  GLN  21          2HE2      GLN  21   1.820  -9.612   5.011
  192   2HE2  GLN  21          1HE2      GLN  21   0.404 -10.200   5.854
  193    H    GLN  22           H        GLN  22  -0.780 -15.538   5.388
  194    HA   GLN  22           HA       GLN  22   1.686 -16.866   4.534
  195   1HB   GLN  22          1HB       GLN  22   0.581 -18.923   4.772
  196   2HB   GLN  22          2HB       GLN  22  -0.002 -17.914   6.098
  197   1HG   GLN  22          1HG       GLN  22  -2.021 -17.452   4.428
  198   2HG   GLN  22          2HG       GLN  22  -1.439 -18.900   3.616
  199   1HE2  GLN  22          2HE2      GLN  22  -2.496 -21.102   6.232
  200   2HE2  GLN  22          1HE2      GLN  22  -1.436 -20.938   4.847
  201    H    ILE  23           H        ILE  23  -1.380 -15.855   2.995
  202    HA   ILE  23           HA       ILE  23  -0.756 -16.854   0.392
  203    HB   ILE  23           HB       ILE  23  -2.269 -14.372   1.312
  204   1HG1  ILE  23          1HG1      ILE  23  -4.227 -15.591   0.504
  205   2HG1  ILE  23          2HG1      ILE  23  -3.220 -16.978   0.038
  206   1HG2  ILE  23          1HG2      ILE  23  -1.920 -15.511  -1.490
  207   2HG2  ILE  23          2HG2      ILE  23  -3.118 -14.278  -1.033
  208   3HG2  ILE  23          3HG2      ILE  23  -1.398 -13.909  -0.925
  209   1HD1  ILE  23          1HD1      ILE  23  -3.477 -15.974   2.875
  210   2HD1  ILE  23          2HD1      ILE  23  -4.563 -17.186   2.140
  211   3HD1  ILE  23          3HD1      ILE  23  -2.833 -17.545   2.274
  212    H    LEU  24           H        LEU  24   0.077 -13.850   2.098
  213    HA   LEU  24           HA       LEU  24   1.461 -12.697  -0.090
  214   1HB   LEU  24          1HB       LEU  24   1.516 -12.194   2.906
  215   2HB   LEU  24          2HB       LEU  24   2.455 -11.202   1.787
  216    HG   LEU  24           HG       LEU  24  -0.536 -11.652   1.427
  217   1HD1  LEU  24          3HD1      LEU  24   0.859  -9.367   2.876
  218   2HD1  LEU  24          1HD1      LEU  24  -0.833  -9.410   2.360
  219   3HD1  LEU  24          2HD1      LEU  24  -0.278 -10.561   3.580
  220   1HD2  LEU  24          1HD2      LEU  24   1.004 -10.654  -0.489
  221   2HD2  LEU  24          2HD2      LEU  24  -0.517  -9.849  -0.074
  222   3HD2  LEU  24          3HD2      LEU  24   1.010  -9.230   0.553
  223    H    PHE  25           H        PHE  25   2.774 -14.664   2.651
  224    HA   PHE  25           HA       PHE  25   5.468 -14.437   1.632
  225   1HB   PHE  25          1HB       PHE  25   5.882 -16.645   2.835
  226   2HB   PHE  25          2HB       PHE  25   5.647 -15.181   3.721
  227    HD1  PHE  25          1HD       PHE  25   4.121 -18.421   2.789
  228    HD2  PHE  25          2HD       PHE  25   4.237 -15.136   5.585
  229    HE1  PHE  25          1HE       PHE  25   3.313 -19.912   4.570
  230    HE2  PHE  25          2HE       PHE  25   3.472 -16.658   7.392
  231    HZ   PHE  25           HZ       PHE  25   3.030 -19.059   6.889
  232    H    GLN  26           H        GLN  26   2.886 -16.846   1.208
  233    HA   GLN  26           HA       GLN  26   4.631 -18.605   0.089
  234   1HB   GLN  26          1HB       GLN  26   2.786 -20.057  -0.259
  235   2HB   GLN  26          2HB       GLN  26   2.207 -18.977   0.999
  236   1HG   GLN  26          1HG       GLN  26   1.070 -17.679  -0.824
  237   2HG   GLN  26          2HG       GLN  26   1.546 -18.979  -1.941
  238   1HE2  GLN  26          2HE2      GLN  26  -1.906 -19.855  -0.886
  239   2HE2  GLN  26          1HE2      GLN  26  -1.212 -18.629  -1.814
  240    H    ALA  27           H        ALA  27   2.542 -16.173  -1.462
  241    HA   ALA  27           HA       ALA  27   3.302 -16.715  -4.162
  242   1HB   ALA  27          2HB       ALA  27   1.341 -15.371  -3.565
  243   2HB   ALA  27          3HB       ALA  27   2.402 -14.110  -2.887
  244   3HB   ALA  27          1HB       ALA  27   2.476 -14.505  -4.629
  245    H    TYR  28           H        TYR  28   4.579 -14.296  -1.751
  246    HA   TYR  28           HA       TYR  28   6.551 -13.129  -3.345
  247   1HB   TYR  28          1HB       TYR  28   5.885 -12.519  -0.985
  248   2HB   TYR  28          2HB       TYR  28   6.818 -13.878  -0.395
  249    HD1  TYR  28          1HD       TYR  28   9.376 -13.879  -0.775
  250    HD2  TYR  28          2HD       TYR  28   6.873 -10.397  -1.233
  251    HE1  TYR  28          1HE       TYR  28  11.357 -12.422  -0.551
  252    HE2  TYR  28          2HE       TYR  28   8.848  -8.948  -0.962
  253    HH   TYR  28           HH       TYR  28  12.160 -10.184  -0.483
  254    H    GLU  29           H        GLU  29   6.710 -16.223  -1.513
  255    HA   GLU  29           HA       GLU  29   9.442 -16.437  -2.096
  256   1HB   GLU  29          1HB       GLU  29   8.386 -17.628  -0.173
  257   2HB   GLU  29          2HB       GLU  29   7.697 -18.786  -1.344
  258   1HG   GLU  29          1HG       GLU  29   9.799 -19.651  -0.563
  259   2HG   GLU  29          2HG       GLU  29  10.040 -19.180  -2.212
  260    H    ARG  30           H        ARG  30   6.473 -17.648  -3.656
  261    HA   ARG  30           HA       ARG  30   7.874 -19.461  -5.268
  262   1HB   ARG  30          1HB       ARG  30   5.413 -19.576  -4.839
  263   2HB   ARG  30          2HB       ARG  30   5.186 -18.065  -5.721
  264   1HG   ARG  30          1HG       ARG  30   6.212 -19.372  -7.781
  265   2HG   ARG  30          2HG       ARG  30   5.928 -20.806  -6.798
  266   1HD   ARG  30          1HD       ARG  30   4.097 -20.477  -8.302
  267   2HD   ARG  30          2HD       ARG  30   3.489 -20.150  -6.666
  268    HE   ARG  30           HE       ARG  30   4.225 -17.654  -7.514
  269   1HH1  ARG  30          2HH2      ARG  30   2.270 -20.137  -9.178
  270   2HH1  ARG  30          1HH2      ARG  30   1.421 -18.923 -10.117
  271   1HH2  ARG  30          2HH1      ARG  30   2.938 -16.122  -8.722
  272   2HH2  ARG  30          1HH1      ARG  30   1.861 -16.731  -9.919
  273    H    GLN  31           H        GLN  31   6.751 -16.051  -5.821
  274    HA   GLN  31           HA       GLN  31   9.076 -15.675  -7.485
  275   1HB   GLN  31          1HB       GLN  31   8.012 -14.648  -9.400
  276   2HB   GLN  31          2HB       GLN  31   7.466 -16.309  -9.201
  277   1HG   GLN  31          1HG       GLN  31   5.485 -15.014  -7.823
  278   2HG   GLN  31          2HG       GLN  31   5.988 -13.717  -8.907
  279   1HE2  GLN  31          2HE2      GLN  31   3.589 -15.139 -11.179
  280   2HE2  GLN  31          1HE2      GLN  31   4.184 -13.716 -10.312
  281    H    LYS  32           H        LYS  32   9.786 -13.546  -7.372
  282    HA   LYS  32           HA       LYS  32   8.437 -11.966  -5.203
  283   1HB   LYS  32          1HB       LYS  32  10.705 -11.427  -4.361
  284   2HB   LYS  32          2HB       LYS  32  10.210 -13.082  -4.195
  285   1HG   LYS  32          1HG       LYS  32  11.626 -13.309  -6.539
  286   2HG   LYS  32          2HG       LYS  32  12.415 -11.942  -5.779
  287   1HD   LYS  32          1HD       LYS  32  13.636 -13.768  -5.043
  288   2HD   LYS  32          2HD       LYS  32  12.624 -13.439  -3.643
  289   1HE   LYS  32          1HE       LYS  32  11.726 -15.485  -5.740
  290   2HE   LYS  32          2HE       LYS  32  13.026 -15.916  -4.632
  291   1HZ   LYS  32          2HZ       LYS  32  10.347 -15.119  -3.658
  292   2HZ   LYS  32          3HZ       LYS  32  10.860 -16.627  -3.943
  293   3HZ   LYS  32          1HZ       LYS  32  11.588 -15.856  -2.802
  294    H    ASN  33           H        ASN  33   8.177 -11.603  -8.149
  295    HA   ASN  33           HA       ASN  33   8.768  -8.713  -8.100
  296   1HB   ASN  33          1HB       ASN  33   9.312 -10.603 -10.424
  297   2HB   ASN  33          2HB       ASN  33   8.979  -8.888 -10.629
  298   1HD2  ASN  33          2HD2      ASN  33  12.721 -10.002  -9.641
  299   2HD2  ASN  33          1HD2      ASN  33  11.464 -11.146 -10.066
  300    HA   PRO  34           HA       PRO  34   4.429  -9.532  -8.272
  301   1HB   PRO  34          1HB       PRO  34   3.367  -7.031  -8.387
  302   2HB   PRO  34          2HB       PRO  34   4.197  -7.704  -6.962
  303   1HG   PRO  34          1HG       PRO  34   5.413  -5.916  -9.084
  304   2HG   PRO  34          2HG       PRO  34   5.473  -5.694  -7.311
  305   1HD   PRO  34          1HD       PRO  34   7.503  -6.878  -8.656
  306   2HD   PRO  34          2HD       PRO  34   6.992  -7.522  -7.063
  307    H    SER  35           H        SER  35   4.062 -10.664 -10.151
  308    HA   SER  35           HA       SER  35   4.263  -9.386 -12.744
  309   1HB   SER  35          1HB       SER  35   3.429 -12.199 -11.913
  310   2HB   SER  35          2HB       SER  35   3.867 -11.658 -13.554
  311    HG   SER  35           HG       SER  35   5.494 -11.615 -11.204
  312    H    LYS  36           H        LYS  36   1.543 -11.577 -12.433
  313    HA   LYS  36           HA       LYS  36  -0.431  -9.413 -12.298
  314   1HB   LYS  36          1HB       LYS  36   0.217  -9.381 -14.708
  315   2HB   LYS  36          2HB       LYS  36  -0.056 -11.113 -14.809
  316   1HG   LYS  36          1HG       LYS  36  -2.087 -10.497 -15.594
  317   2HG   LYS  36          2HG       LYS  36  -2.525 -10.382 -13.896
  318   1HD   LYS  36          1HD       LYS  36  -1.732  -7.861 -14.118
  319   2HD   LYS  36          2HD       LYS  36  -1.797  -8.177 -15.854
  320   1HE   LYS  36          1HE       LYS  36  -3.989  -7.429 -15.527
  321   2HE   LYS  36          2HE       LYS  36  -4.217  -9.162 -15.291
  322   1HZ   LYS  36          3HZ       LYS  36  -3.880  -8.671 -12.843
  323   2HZ   LYS  36          1HZ       LYS  36  -4.082  -7.072 -13.200
  324   3HZ   LYS  36          2HZ       LYS  36  -5.247  -8.195 -13.449
  325    H    GLU  37           H        GLU  37  -0.345 -12.677 -13.622
  326    HA   GLU  37           HA       GLU  37  -2.525 -13.954 -12.642
  327   1HB   GLU  37          1HB       GLU  37  -0.999 -15.045 -14.081
  328   2HB   GLU  37          2HB       GLU  37   0.398 -14.648 -13.147
  329   1HG   GLU  37          1HG       GLU  37  -1.551 -16.505 -11.823
  330   2HG   GLU  37          2HG       GLU  37  -0.725 -17.089 -13.263
  331    H    GLU  38           H        GLU  38   0.537 -14.210 -10.970
  332    HA   GLU  38           HA       GLU  38   0.231 -14.817  -8.455
  333   1HB   GLU  38          1HB       GLU  38   2.178 -13.913  -9.662
  334   2HB   GLU  38          2HB       GLU  38   1.541 -12.276  -9.581
  335   1HG   GLU  38          1HG       GLU  38   1.881 -12.339  -7.097
  336   2HG   GLU  38          2HG       GLU  38   2.667 -13.919  -7.284
  337    H    ARG  39           H        ARG  39  -0.456 -11.449  -9.493
  338    HA   ARG  39           HA       ARG  39  -1.256 -10.781  -6.820
  339   1HB   ARG  39          1HB       ARG  39  -0.164  -9.056  -8.034
  340   2HB   ARG  39          2HB       ARG  39  -1.145  -9.307  -9.485
  341   1HG   ARG  39          1HG       ARG  39  -2.998  -8.188  -8.647
  342   2HG   ARG  39          2HG       ARG  39  -2.465  -8.311  -6.971
  343   1HD   ARG  39          1HD       ARG  39  -2.152  -5.982  -7.859
  344   2HD   ARG  39          2HD       ARG  39  -0.647  -6.725  -7.349
  345    HE   ARG  39           HE       ARG  39   0.122  -6.829  -9.533
  346   1HH1  ARG  39          2HH2      ARG  39  -3.145  -5.217  -9.573
  347   2HH1  ARG  39          1HH2      ARG  39  -3.222  -5.336 -11.283
  348   1HH2  ARG  39          2HH1      ARG  39   0.221  -6.192 -11.609
  349   2HH2  ARG  39          1HH1      ARG  39  -1.075  -5.274 -12.336
  350    H    GLU  40           H        GLU  40  -3.025 -11.389  -9.837
  351    HA   GLU  40           HA       GLU  40  -5.619 -10.826  -8.889
  352   1HB   GLU  40          1HB       GLU  40  -4.387 -12.214 -11.108
  353   2HB   GLU  40          2HB       GLU  40  -5.790 -13.107 -10.534
  354   1HG   GLU  40          1HG       GLU  40  -6.622 -11.647 -12.185
  355   2HG   GLU  40          2HG       GLU  40  -7.136 -10.948 -10.649
  356    H    THR  41           H        THR  41  -3.787 -13.894  -8.858
  357    HA   THR  41           HA       THR  41  -5.441 -15.486  -7.315
  358    HB   THR  41           HB       THR  41  -2.544 -15.370  -7.986
  359    HG1  THR  41          1HG       THR  41  -4.398 -17.485  -7.886
  360   1HG2  THR  41          3HG2      THR  41  -3.454 -16.936  -5.553
  361   2HG2  THR  41          1HG2      THR  41  -1.995 -17.298  -6.501
  362   3HG2  THR  41          2HG2      THR  41  -2.133 -15.760  -5.667
  363    H    LEU  42           H        LEU  42  -2.808 -13.301  -6.123
  364    HA   LEU  42           HA       LEU  42  -3.028 -14.027  -3.443
  365   1HB   LEU  42          1HB       LEU  42  -2.050 -11.568  -4.908
  366   2HB   LEU  42          2HB       LEU  42  -2.362 -11.451  -3.208
  367    HG   LEU  42           HG       LEU  42  -0.816 -13.746  -3.232
  368   1HD1  LEU  42          2HD1      LEU  42   0.073 -11.934  -5.487
  369   2HD1  LEU  42          3HD1      LEU  42   1.264 -12.706  -4.479
  370   3HD1  LEU  42          1HD1      LEU  42   0.116 -13.715  -5.357
  371   1HD2  LEU  42          3HD2      LEU  42  -0.711 -11.848  -1.661
  372   2HD2  LEU  42          1HD2      LEU  42   0.892 -12.303  -2.263
  373   3HD2  LEU  42          2HD2      LEU  42   0.085 -10.864  -2.906
  374    H    VAL  43           H        VAL  43  -4.826 -11.517  -5.292
  375    HA   VAL  43           HA       VAL  43  -6.176 -10.500  -2.993
  376    HB   VAL  43           HB       VAL  43  -7.154 -10.591  -5.892
  377   1HG1  VAL  43          1HG1      VAL  43  -8.021  -9.098  -3.355
  378   2HG1  VAL  43          2HG1      VAL  43  -8.593  -8.680  -4.984
  379   3HG1  VAL  43          3HG1      VAL  43  -9.011 -10.247  -4.273
  380   1HG2  VAL  43          3HG2      VAL  43  -5.033  -9.303  -5.568
  381   2HG2  VAL  43          1HG2      VAL  43  -6.441  -8.310  -5.956
  382   3HG2  VAL  43          2HG2      VAL  43  -5.819  -8.375  -4.279
  383    H    GLU  44           H        GLU  44  -7.136 -13.027  -5.345
  384    HA   GLU  44           HA       GLU  44  -9.667 -13.683  -4.394
  385   1HB   GLU  44          1HB       GLU  44  -7.644 -14.668  -6.188
  386   2HB   GLU  44          2HB       GLU  44  -8.148 -16.036  -5.244
  387   1HG   GLU  44          1HG       GLU  44  -9.924 -14.135  -6.802
  388   2HG   GLU  44          2HG       GLU  44  -9.294 -15.710  -7.375
  389    H    GLU  45           H        GLU  45  -6.572 -15.199  -3.708
  390    HA   GLU  45           HA       GLU  45  -7.559 -17.088  -1.918
  391   1HB   GLU  45          1HB       GLU  45  -5.138 -16.604  -3.278
  392   2HB   GLU  45          2HB       GLU  45  -4.680 -16.285  -1.620
  393   1HG   GLU  45          1HG       GLU  45  -5.676 -18.556  -1.067
  394   2HG   GLU  45          2HG       GLU  45  -5.848 -18.827  -2.817
  395    H    CYS  46           H        CYS  46  -5.942 -13.968  -1.433
  396    HA   CYS  46           HA       CYS  46  -5.820 -13.999   1.384
  397   1HB   CYS  46          1HB       CYS  46  -4.878 -12.062  -0.171
  398   2HB   CYS  46          2HB       CYS  46  -6.513 -11.463  -0.224
  399    HG   CYS  46           HG       CYS  46  -6.942 -11.300   2.315
  400    H    ASN  47           H        ASN  47  -8.334 -12.907  -0.898
  401    HA   ASN  47           HA       ASN  47 -10.189 -11.706   0.872
  402   1HB   ASN  47          1HB       ASN  47 -10.304 -12.801  -1.932
  403   2HB   ASN  47          2HB       ASN  47 -11.817 -12.761  -1.071
  404   1HD2  ASN  47          2HD2      ASN  47  -9.920  -9.135  -1.743
  405   2HD2  ASN  47          1HD2      ASN  47  -8.988 -10.642  -1.639
  406    H    ARG  48           H        ARG  48  -9.986 -15.041  -0.390
  407    HA   ARG  48           HA       ARG  48 -12.029 -16.273   1.056
  408   1HB   ARG  48          1HB       ARG  48  -9.881 -17.138  -0.510
  409   2HB   ARG  48          2HB       ARG  48  -9.418 -17.746   1.057
  410   1HG   ARG  48          1HG       ARG  48 -10.651 -19.544   0.396
  411   2HG   ARG  48          2HG       ARG  48 -11.948 -18.611   1.146
  412   1HD   ARG  48          1HD       ARG  48 -12.705 -19.329  -1.064
  413   2HD   ARG  48          2HD       ARG  48 -12.399 -17.573  -1.118
  414    HE   ARG  48           HE       ARG  48 -10.150 -19.333  -1.870
  415   1HH1  ARG  48          2HH2      ARG  48 -12.807 -17.284  -3.062
  416   2HH1  ARG  48          1HH2      ARG  48 -12.047 -17.051  -4.597
  417   1HH2  ARG  48          2HH1      ARG  48  -9.244 -19.077  -4.011
  418   2HH2  ARG  48          1HH1      ARG  48 -10.195 -18.173  -5.177
  419    H    ALA  49           H        ALA  49  -8.646 -15.736   2.028
  420    HA   ALA  49           HA       ALA  49  -8.873 -16.901   4.591
  421   1HB   ALA  49          3HB       ALA  49  -6.788 -16.610   3.327
  422   2HB   ALA  49          1HB       ALA  49  -6.847 -14.863   3.616
  423   3HB   ALA  49          2HB       ALA  49  -6.670 -15.985   4.986
  424    H    GLU  50           H        GLU  50  -9.170 -13.387   3.714
  425    HA   GLU  50           HA       GLU  50  -9.471 -12.835   6.559
  426   1HB   GLU  50          1HB       GLU  50  -9.768 -10.567   6.001
  427   2HB   GLU  50          2HB       GLU  50  -8.278 -11.272   5.350
  428   1HG   GLU  50          1HG       GLU  50  -9.181 -11.283   3.098
  429   2HG   GLU  50          2HG       GLU  50 -10.764 -10.770   3.676
  430    H    CYS  51           H        CYS  51 -11.651 -13.495   3.859
  431    HA   CYS  51           HA       CYS  51 -14.066 -12.854   5.198
  432   1HB   CYS  51          1HB       CYS  51 -15.087 -13.763   3.493
  433   2HB   CYS  51          2HB       CYS  51 -13.525 -14.159   2.812
  434    HG   CYS  51           HG       CYS  51 -13.369 -16.523   3.848
  435    H    ILE  52           H        ILE  52 -11.905 -15.732   5.497
  436    HA   ILE  52           HA       ILE  52 -13.640 -17.087   7.358
  437    HB   ILE  52           HB       ILE  52 -10.701 -17.375   6.633
  438   1HG1  ILE  52          1HG1      ILE  52 -13.086 -19.223   6.229
  439   2HG1  ILE  52          2HG1      ILE  52 -12.545 -18.051   5.030
  440   1HG2  ILE  52          2HG2      ILE  52 -12.259 -19.048   8.628
  441   2HG2  ILE  52          3HG2      ILE  52 -10.641 -19.423   7.991
  442   3HG2  ILE  52          1HG2      ILE  52 -10.867 -17.999   8.989
  443   1HD1  ILE  52          3HD1      ILE  52 -10.308 -19.138   4.956
  444   2HD1  ILE  52          1HD1      ILE  52 -10.923 -20.418   6.030
  445   3HD1  ILE  52          2HD1      ILE  52 -11.641 -20.182   4.433
  446    H    GLN  53           H        GLN  53 -10.837 -14.901   7.684
  447    HA   GLN  53           HA       GLN  53 -10.707 -14.921  10.504
  448   1HB   GLN  53          1HB       GLN  53 -10.151 -12.540   8.685
  449   2HB   GLN  53          2HB       GLN  53  -9.753 -12.646  10.396
  450   1HG   GLN  53          1HG       GLN  53  -8.401 -14.725   9.915
  451   2HG   GLN  53          2HG       GLN  53  -8.615 -14.407   8.196
  452   1HE2  GLN  53          2HE2      GLN  53  -5.663 -12.573  10.011
  453   2HE2  GLN  53          1HE2      GLN  53  -6.532 -13.914  10.751
  454    H    ARG  54           H        ARG  54 -12.817 -12.858   8.436
  455    HA   ARG  54           HA       ARG  54 -14.062 -11.754  10.872
  456   1HB   ARG  54          1HB       ARG  54 -14.024 -11.017   7.979
  457   2HB   ARG  54          2HB       ARG  54 -15.418 -10.512   8.929
  458   1HG   ARG  54          1HG       ARG  54 -12.715  -9.999  10.151
  459   2HG   ARG  54          2HG       ARG  54 -13.177  -9.037   8.750
  460   1HD   ARG  54          1HD       ARG  54 -13.811  -7.955  10.907
  461   2HD   ARG  54          2HD       ARG  54 -15.148  -8.200   9.774
  462    HE   ARG  54           HE       ARG  54 -14.743 -10.247  11.919
  463   1HH1  ARG  54          2HH2      ARG  54 -16.495  -7.265  11.094
  464   2HH1  ARG  54          1HH2      ARG  54 -17.939  -7.737  11.922
  465   1HH2  ARG  54          2HH1      ARG  54 -16.420 -10.757  13.151
  466   2HH2  ARG  54          1HH1      ARG  54 -17.930  -9.876  13.148
  467    H    GLY  55           H        GLY  55 -14.546 -14.543   9.100
  468   1HA   GLY  55          1HA       GLY  55 -16.255 -15.997   8.884
  469   2HA   GLY  55          2HA       GLY  55 -17.059 -15.203  10.252
  470    H    VAL  56           H        VAL  56 -16.131 -13.862   7.061
  471    HA   VAL  56           HA       VAL  56 -18.930 -12.983   6.593
  472    HB   VAL  56           HB       VAL  56 -16.428 -12.603   4.899
  473   1HG1  VAL  56          1HG1      VAL  56 -19.264 -11.488   4.586
  474   2HG1  VAL  56          2HG1      VAL  56 -17.845 -10.902   3.704
  475   3HG1  VAL  56          3HG1      VAL  56 -18.406 -12.542   3.438
  476   1HG2  VAL  56          2HG2      VAL  56 -17.992 -10.727   6.700
  477   2HG2  VAL  56          3HG2      VAL  56 -16.278 -11.227   6.854
  478   3HG2  VAL  56          1HG2      VAL  56 -16.800 -10.194   5.514
  479    H    SER  57           H        SER  57 -19.962 -13.688   4.674
  480    HA   SER  57           HA       SER  57 -20.126 -16.443   4.107
  481   1HB   SER  57          1HB       SER  57 -21.123 -13.905   3.185
  482   2HB   SER  57          2HB       SER  57 -20.789 -14.948   1.791
  483    HG   SER  57           HG       SER  57 -22.377 -15.746   3.992
  484    HA   PRO  58           HA       PRO  58 -16.235 -16.740   1.735
  485   1HB   PRO  58          1HB       PRO  58 -16.737 -18.984   0.199
  486   2HB   PRO  58          2HB       PRO  58 -16.251 -19.018   1.916
  487   1HG   PRO  58          1HG       PRO  58 -19.045 -19.242   0.781
  488   2HG   PRO  58          2HG       PRO  58 -18.295 -20.226   2.066
  489   1HD   PRO  58          1HD       PRO  58 -19.954 -18.156   2.637
  490   2HD   PRO  58          2HD       PRO  58 -18.522 -18.470   3.661
  491    H    SER  59           H        SER  59 -19.265 -17.300  -0.072
  492    HA   SER  59           HA       SER  59 -18.228 -16.175  -2.535
  493   1HB   SER  59          1HB       SER  59 -20.815 -16.434  -3.023
  494   2HB   SER  59          2HB       SER  59 -19.811 -17.874  -2.797
  495    HG   SER  59           HG       SER  59 -21.729 -17.944  -1.507
  496    H    GLN  60           H        GLN  60 -18.619 -14.492   0.198
  497    HA   GLN  60           HA       GLN  60 -19.445 -12.092  -1.256
  498   1HB   GLN  60          1HB       GLN  60 -20.682 -12.705   1.447
  499   2HB   GLN  60          2HB       GLN  60 -21.042 -11.372   0.381
  500   1HG   GLN  60          1HG       GLN  60 -22.042 -12.970  -1.274
  501   2HG   GLN  60          2HG       GLN  60 -21.776 -14.306  -0.156
  502   1HE2  GLN  60          2HE2      GLN  60 -24.569 -13.428   1.899
  503   2HE2  GLN  60          1HE2      GLN  60 -23.142 -14.465   1.796
  504    H    ALA  61           H        ALA  61 -16.904 -13.232  -0.266
  505    HA   ALA  61           HA       ALA  61 -16.055 -12.068   2.173
  506   1HB   ALA  61          1HB       ALA  61 -14.698 -13.649   0.798
  507   2HB   ALA  61          2HB       ALA  61 -14.438 -12.366  -0.397
  508   3HB   ALA  61          3HB       ALA  61 -13.796 -12.189   1.244
  509    H    GLN  62           H        GLN  62 -16.688 -10.628  -0.896
  510    HA   GLN  62           HA       GLN  62 -15.742  -8.082  -0.941
  511   1HB   GLN  62          1HB       GLN  62 -18.497  -9.114  -1.455
  512   2HB   GLN  62          2HB       GLN  62 -18.034  -7.457  -1.814
  513   1HG   GLN  62          1HG       GLN  62 -17.910  -8.759  -3.840
  514   2HG   GLN  62          2HG       GLN  62 -16.300  -8.209  -3.364
  515   1HE2  GLN  62          2HE2      GLN  62 -15.131 -11.497  -3.834
  516   2HE2  GLN  62          1HE2      GLN  62 -15.061  -9.811  -4.331
  517    H    GLY  63           H        GLY  63 -18.238  -9.291   1.279
  518   1HA   GLY  63          1HA       GLY  63 -19.046  -6.696   2.254
  519   2HA   GLY  63          2HA       GLY  63 -19.569  -8.280   2.835
  520    H    LEU  64           H        LEU  64 -16.188  -7.298   2.636
  521    HA   LEU  64           HA       LEU  64 -16.184  -6.247   5.368
  522   1HB   LEU  64          1HB       LEU  64 -14.122  -7.317   5.999
  523   2HB   LEU  64          2HB       LEU  64 -15.397  -8.459   5.713
  524    HG   LEU  64           HG       LEU  64 -14.161  -8.272   3.249
  525   1HD1  LEU  64          2HD1      LEU  64 -12.193  -7.162   4.252
  526   2HD1  LEU  64          3HD1      LEU  64 -11.982  -8.537   5.360
  527   3HD1  LEU  64          1HD1      LEU  64 -11.831  -8.747   3.603
  528   1HD2  LEU  64          1HD2      LEU  64 -15.033 -10.317   4.189
  529   2HD2  LEU  64          2HD2      LEU  64 -13.369 -10.539   3.644
  530   3HD2  LEU  64          3HD2      LEU  64 -13.709 -10.356   5.384
  531    H    GLY  65           H        GLY  65 -16.420  -5.056   2.855
  532   1HA   GLY  65          1HA       GLY  65 -14.608  -3.705   1.568
  533   2HA   GLY  65          2HA       GLY  65 -15.964  -2.869   2.324
  534    H    SER  66           H        SER  66 -15.071  -2.865   5.115
  535    HA   SER  66           HA       SER  66 -13.446  -0.671   5.390
  536   1HB   SER  66          1HB       SER  66 -14.291  -3.093   7.004
  537   2HB   SER  66          2HB       SER  66 -12.818  -2.376   7.470
  538    HG   SER  66           HG       SER  66 -15.255  -0.956   7.249
  539    H    ASN  67           H        ASN  67 -12.589  -4.052   5.336
  540    HA   ASN  67           HA       ASN  67  -9.699  -3.572   5.670
  541   1HB   ASN  67          1HB       ASN  67 -11.647  -5.905   5.905
  542   2HB   ASN  67          2HB       ASN  67  -9.924  -6.193   5.833
  543   1HD2  ASN  67          2HD2      ASN  67  -9.541  -5.421   9.287
  544   2HD2  ASN  67          1HD2      ASN  67  -8.937  -6.214   7.821
  545    H    LEU  68           H        LEU  68 -12.056  -5.225   3.640
  546    HA   LEU  68           HA       LEU  68 -10.984  -6.919   2.298
  547   1HB   LEU  68          1HB       LEU  68 -13.164  -5.917   1.737
  548   2HB   LEU  68          2HB       LEU  68 -12.356  -4.857   0.579
  549    HG   LEU  68           HG       LEU  68 -11.382  -7.453  -0.065
  550   1HD1  LEU  68          2HD1      LEU  68 -14.270  -7.582   0.813
  551   2HD1  LEU  68          3HD1      LEU  68 -13.541  -8.737  -0.308
  552   3HD1  LEU  68          1HD1      LEU  68 -12.901  -8.596   1.334
  553   1HD2  LEU  68          2HD2      LEU  68 -12.024  -5.690  -1.658
  554   2HD2  LEU  68          3HD2      LEU  68 -12.713  -7.268  -2.060
  555   3HD2  LEU  68          1HD2      LEU  68 -13.739  -6.019  -1.305
  556    H    VAL  69           H        VAL  69  -9.321  -7.506   1.359
  557    HA   VAL  69           HA       VAL  69  -7.337  -5.842   0.196
  558    HB   VAL  69           HB       VAL  69  -7.769  -8.839   0.340
  559   1HG1  VAL  69          1HG1      VAL  69  -6.488  -8.382  -1.752
  560   2HG1  VAL  69          2HG1      VAL  69  -5.335  -7.409  -0.823
  561   3HG1  VAL  69          3HG1      VAL  69  -5.506  -9.155  -0.528
  562   1HG2  VAL  69          1HG2      VAL  69  -7.175  -7.504   2.423
  563   2HG2  VAL  69          2HG2      VAL  69  -5.908  -8.629   1.968
  564   3HG2  VAL  69          3HG2      VAL  69  -5.740  -6.921   1.575
  565    H    THR  70           H        THR  70  -6.807  -5.545  -1.881
  566    HA   THR  70           HA       THR  70  -8.494  -6.394  -4.088
  567    HB   THR  70           HB       THR  70  -8.623  -3.964  -4.838
  568    HG1  THR  70          1HG       THR  70  -8.078  -3.450  -2.096
  569   1HG2  THR  70          3HG2      THR  70 -10.555  -5.121  -3.702
  570   2HG2  THR  70          1HG2      THR  70  -9.987  -4.483  -2.145
  571   3HG2  THR  70          2HG2      THR  70 -10.513  -3.363  -3.410
  572    H    GLU  71           H        GLU  71  -7.277  -5.855  -6.155
  573    HA   GLU  71           HA       GLU  71  -4.688  -6.843  -5.929
  574   1HB   GLU  71          1HB       GLU  71  -4.363  -6.355  -8.272
  575   2HB   GLU  71          2HB       GLU  71  -5.841  -7.212  -7.882
  576   1HG   GLU  71          1HG       GLU  71  -6.369  -5.656  -9.526
  577   2HG   GLU  71          2HG       GLU  71  -7.103  -5.070  -8.024
  578    H    VAL  72           H        VAL  72  -5.586  -3.439  -6.200
  579    HA   VAL  72           HA       VAL  72  -3.068  -2.323  -6.349
  580    HB   VAL  72           HB       VAL  72  -5.097  -1.038  -6.564
  581   1HG1  VAL  72          3HG1      VAL  72  -5.516  -1.459  -3.564
  582   2HG1  VAL  72          1HG1      VAL  72  -6.393  -0.316  -4.577
  583   3HG1  VAL  72          2HG1      VAL  72  -6.554  -2.048  -4.885
  584   1HG2  VAL  72          1HG2      VAL  72  -2.994   0.112  -5.876
  585   2HG2  VAL  72          2HG2      VAL  72  -4.476   0.949  -5.373
  586   3HG2  VAL  72          3HG2      VAL  72  -3.530   0.041  -4.184
  587    H    ARG  73           H        ARG  73  -4.544  -3.826  -3.480
  588    HA   ARG  73           HA       ARG  73  -2.682  -2.693  -1.562
  589   1HB   ARG  73          1HB       ARG  73  -3.973  -5.436  -1.401
  590   2HB   ARG  73          2HB       ARG  73  -3.370  -4.435  -0.086
  591   1HG   ARG  73          1HG       ARG  73  -5.806  -3.854  -1.836
  592   2HG   ARG  73          2HG       ARG  73  -5.743  -4.585  -0.227
  593   1HD   ARG  73          1HD       ARG  73  -4.519  -2.260   0.339
  594   2HD   ARG  73          2HD       ARG  73  -5.465  -1.736  -1.060
  595    HE   ARG  73           HE       ARG  73  -6.845  -3.385   0.995
  596   1HH1  ARG  73          2HH2      ARG  73  -6.424  -0.040  -0.196
  597   2HH1  ARG  73          1HH2      ARG  73  -7.396   0.595   1.123
  598   1HH2  ARG  73          2HH1      ARG  73  -8.394  -2.530   2.389
  599   2HH2  ARG  73          1HH1      ARG  73  -8.538  -0.789   2.522
  600    H    VAL  74           H        VAL  74  -2.897  -5.749  -3.425
  601    HA   VAL  74           HA       VAL  74  -0.563  -6.945  -2.422
  602    HB   VAL  74           HB       VAL  74  -1.951  -7.246  -5.112
  603   1HG1  VAL  74          1HG1      VAL  74   0.296  -8.817  -3.831
  604   2HG1  VAL  74          2HG1      VAL  74  -0.774  -9.530  -5.049
  605   3HG1  VAL  74          3HG1      VAL  74   0.214  -8.131  -5.470
  606   1HG2  VAL  74          3HG2      VAL  74  -3.368  -7.844  -3.149
  607   2HG2  VAL  74          1HG2      VAL  74  -2.965  -9.232  -4.159
  608   3HG2  VAL  74          2HG2      VAL  74  -2.104  -8.990  -2.630
  609    H    TYR  75           H        TYR  75  -1.192  -4.964  -5.336
  610    HA   TYR  75           HA       TYR  75   1.321  -4.688  -6.489
  611   1HB   TYR  75          1HB       TYR  75  -0.983  -3.740  -7.200
  612   2HB   TYR  75          2HB       TYR  75  -0.677  -2.409  -6.109
  613    HD1  TYR  75          1HD       TYR  75   1.633  -1.112  -6.453
  614    HD2  TYR  75          2HD       TYR  75  -0.525  -3.339  -9.460
  615    HE1  TYR  75          1HE       TYR  75   2.693   0.234  -8.228
  616    HE2  TYR  75          2HE       TYR  75   0.638  -2.057 -11.229
  617    HH   TYR  75           HH       TYR  75   2.009  -0.078 -11.647
  618    H    ASN  76           H        ASN  76  -0.127  -2.590  -3.945
  619    HA   ASN  76           HA       ASN  76   2.292  -1.136  -3.659
  620   1HB   ASN  76          1HB       ASN  76   1.294   0.279  -2.221
  621   2HB   ASN  76          2HB       ASN  76  -0.032  -0.279  -3.240
  622   1HD2  ASN  76          2HD2      ASN  76  -1.814  -0.342  -0.217
  623   2HD2  ASN  76          1HD2      ASN  76  -1.397   0.640  -1.628
  624    H    TRP  77           H        TRP  77   1.153  -4.004  -1.863
  625    HA   TRP  77           HA       TRP  77   3.102  -3.730   0.240
  626   1HB   TRP  77          1HB       TRP  77   2.091  -5.470   1.112
  627   2HB   TRP  77          2HB       TRP  77   1.021  -5.502  -0.271
  628    HD1  TRP  77           HD       TRP  77   1.452  -7.388  -2.057
  629    HE1  TRP  77          1HE       TRP  77   2.737  -9.559  -2.121
  630    HE3  TRP  77          3HE       TRP  77   4.133  -6.811   2.256
  631    HZ2  TRP  77          2HZ       TRP  77   4.471 -11.009  -0.390
  632    HZ3  TRP  77          3HZ       TRP  77   5.490  -8.721   3.098
  633    HH2  TRP  77           HH       TRP  77   5.711 -10.809   1.749
  634    H    PHE  78           H        PHE  78   3.069  -5.649  -2.814
  635    HA   PHE  78           HA       PHE  78   5.690  -6.658  -2.435
  636   1HB   PHE  78          1HB       PHE  78   3.997  -6.223  -4.922
  637   2HB   PHE  78          2HB       PHE  78   5.628  -6.871  -5.015
  638    HD1  PHE  78          2HD       PHE  78   6.052  -8.789  -3.016
  639    HD2  PHE  78          1HD       PHE  78   2.485  -7.997  -5.296
  640    HE1  PHE  78          2HE       PHE  78   5.470 -11.197  -2.975
  641    HE2  PHE  78          1HE       PHE  78   2.011 -10.426  -5.355
  642    HZ   PHE  78           HZ       PHE  78   3.497 -12.017  -4.183
  643    H    ALA  79           H        ALA  79   4.584  -3.875  -4.427
  644    HA   ALA  79           HA       ALA  79   7.052  -2.875  -5.245
  645   1HB   ALA  79          2HB       ALA  79   4.831  -1.963  -5.888
  646   2HB   ALA  79          3HB       ALA  79   4.627  -1.301  -4.257
  647   3HB   ALA  79          1HB       ALA  79   5.912  -0.684  -5.309
  648    H    ASN  80           H        ASN  80   5.359  -2.278  -2.121
  649    HA   ASN  80           HA       ASN  80   7.442  -0.553  -1.212
  650   1HB   ASN  80          1HB       ASN  80   5.117  -0.454  -0.387
  651   2HB   ASN  80          2HB       ASN  80   5.313  -2.067   0.348
  652   1HD2  ASN  80          2HD2      ASN  80   5.758  -0.059   3.258
  653   2HD2  ASN  80          1HD2      ASN  80   4.544  -0.842   2.257
  654    H    ARG  81           H        ARG  81   6.989  -4.073  -0.857
  655    HA   ARG  81           HA       ARG  81   9.259  -4.382   0.898
  656   1HB   ARG  81          1HB       ARG  81   7.929  -6.295  -1.054
  657   2HB   ARG  81          2HB       ARG  81   9.338  -6.732  -0.085
  658   1HG   ARG  81          1HG       ARG  81   6.768  -5.677   1.146
  659   2HG   ARG  81          2HG       ARG  81   7.061  -7.389   0.830
  660   1HD   ARG  81          1HD       ARG  81   9.003  -7.433   2.293
  661   2HD   ARG  81          2HD       ARG  81   8.933  -5.705   2.577
  662    HE   ARG  81           HE       ARG  81   7.226  -7.814   3.720
  663   1HH1  ARG  81          2HH2      ARG  81   8.258  -4.474   4.036
  664   2HH1  ARG  81          1HH2      ARG  81   6.824  -3.963   4.887
  665   1HH2  ARG  81          2HH1      ARG  81   5.355  -7.163   4.982
  666   2HH2  ARG  81          1HH1      ARG  81   5.426  -5.583   5.705
  667    H    ARG  82           H        ARG  82   8.941  -4.164  -2.688
  668    HA   ARG  82           HA       ARG  82  11.719  -4.564  -3.235
  669   1HB   ARG  82          1HB       ARG  82  10.040  -2.461  -4.646
  670   2HB   ARG  82          2HB       ARG  82  11.490  -3.243  -5.214
  671   1HG   ARG  82          1HG       ARG  82   8.825  -4.650  -4.778
  672   2HG   ARG  82          2HG       ARG  82   9.416  -3.973  -6.277
  673   1HD   ARG  82          1HD       ARG  82   9.991  -6.227  -6.510
  674   2HD   ARG  82          2HD       ARG  82  11.497  -5.472  -6.011
  675    HE   ARG  82           HE       ARG  82   9.609  -7.095  -4.282
  676   1HH1  ARG  82          2HH2      ARG  82  13.061  -6.321  -5.074
  677   2HH1  ARG  82          1HH2      ARG  82  13.561  -7.193  -3.641
  678   1HH2  ARG  82          2HH1      ARG  82  10.493  -8.393  -2.678
  679   2HH2  ARG  82          1HH1      ARG  82  12.224  -8.302  -2.332
  680    H    LYS  83           H        LYS  83   9.934  -1.591  -2.341
  681    HA   LYS  83           HA       LYS  83  12.169   0.061  -2.342
  682   1HB   LYS  83          1HB       LYS  83   9.505   0.445  -1.860
  683   2HB   LYS  83          2HB       LYS  83  10.077   0.533  -0.198
  684   1HG   LYS  83          1HG       LYS  83   9.910   2.721  -1.174
  685   2HG   LYS  83          2HG       LYS  83  11.620   2.379  -0.856
  686   1HD   LYS  83          1HD       LYS  83  12.162   2.419  -3.112
  687   2HD   LYS  83          2HD       LYS  83  10.741   1.474  -3.556
  688   1HE   LYS  83          1HE       LYS  83  10.588   3.619  -4.612
  689   2HE   LYS  83          2HE       LYS  83   9.283   3.434  -3.432
  690   1HZ   LYS  83          3HZ       LYS  83  10.640   4.872  -1.949
  691   2HZ   LYS  83          1HZ       LYS  83  11.765   5.016  -3.197
  692   3HZ   LYS  83          2HZ       LYS  83  10.212   5.559  -3.355
  693    H    GLU  84           H        GLU  84  10.859  -1.680   0.432
  694    HA   GLU  84           HA       GLU  84  12.854  -1.059   2.332
  695   1HB   GLU  84          1HB       GLU  84  10.559  -2.232   2.563
  696   2HB   GLU  84          2HB       GLU  84  11.380  -3.723   2.094
  697   1HG   GLU  84          1HG       GLU  84  12.716  -3.696   4.083
  698   2HG   GLU  84          2HG       GLU  84  12.337  -1.999   4.405
  699    H    GLU  85           H        GLU  85  12.911  -3.238  -0.436
  700    HA   GLU  85           HA       GLU  85  15.484  -4.422   0.478
  701   1HB   GLU  85          1HB       GLU  85  13.324  -5.777  -0.186
  702   2HB   GLU  85          2HB       GLU  85  13.819  -5.421  -1.847
  703   1HG   GLU  85          1HG       GLU  85  16.081  -6.492  -1.266
  704   2HG   GLU  85          2HG       GLU  85  15.456  -6.626   0.380
  705    H    ALA  86           H        ALA  86  14.711  -1.817  -1.079
  706    HA   ALA  86           HA       ALA  86  16.729  -2.052  -3.290
  707   1HB   ALA  86          2HB       ALA  86  14.346  -0.181  -2.959
  708   2HB   ALA  86          3HB       ALA  86  15.508  -0.128  -4.286
  709   3HB   ALA  86          1HB       ALA  86  14.479  -1.543  -4.098
  710    H    PHE  87           H        PHE  87  15.362   0.080  -0.759
  711    HA   PHE  87           HA       PHE  87  17.422   1.966  -0.533
  712   1HB   PHE  87          1HB       PHE  87  15.320   0.896   1.319
  713   2HB   PHE  87          2HB       PHE  87  16.816   1.319   2.114
  714    HD1  PHE  87          1HD       PHE  87  14.796   2.984  -0.599
  715    HD2  PHE  87          2HD       PHE  87  16.890   3.337   3.168
  716    HE1  PHE  87          1HE       PHE  87  14.369   5.441  -0.567
  717    HE2  PHE  87          2HE       PHE  87  16.519   5.771   3.147
  718    HZ   PHE  87           HZ       PHE  87  15.269   6.835   1.268
  719    H    ARG  88           H        ARG  88  17.286  -1.225   1.302
  720    HA   ARG  88           HA       ARG  88  19.839  -0.852   2.446
  721   1HB   ARG  88          1HB       ARG  88  17.903  -2.613   2.912
  722   2HB   ARG  88          2HB       ARG  88  18.658  -3.535   1.623
  723   1HG   ARG  88          1HG       ARG  88  20.862  -3.203   3.102
  724   2HG   ARG  88          2HG       ARG  88  19.698  -2.800   4.372
  725   1HD   ARG  88          1HD       ARG  88  19.889  -5.168   4.607
  726   2HD   ARG  88          2HD       ARG  88  18.456  -4.995   3.632
  727    HE   ARG  88           HE       ARG  88  19.535  -5.764   1.724
  728   1HH1  ARG  88          2HH2      ARG  88  21.798  -5.550   4.494
  729   2HH1  ARG  88          1HH2      ARG  88  23.062  -6.436   3.651
  730   1HH2  ARG  88          2HH1      ARG  88  21.373  -7.027   0.712
  731   2HH2  ARG  88          1HH1      ARG  88  22.830  -7.217   1.679
  732    H    HIS  89           H        HIS  89  18.808  -2.225  -0.651
  733    HA   HIS  89           HA       HIS  89  21.212  -3.644  -1.097
  734   1HB   HIS  89          1HB       HIS  89  18.827  -3.924  -2.085
  735   2HB   HIS  89          2HB       HIS  89  19.348  -2.804  -3.341
  736    HD1  HIS  89          1HD       HIS  89  22.369  -4.011  -3.582
  737    HD2  HIS  89          2HD       HIS  89  18.846  -6.245  -3.048
  738    HE1  HIS  89          1HE       HIS  89  22.953  -6.449  -4.100
  739    H    LYS  90           H        LYS  90  20.262  -0.304  -1.772
  740    HA   LYS  90           HA       LYS  90  22.579   0.083  -3.551
  741   1HB   LYS  90          1HB       LYS  90  21.821   2.257  -3.906
  742   2HB   LYS  90          2HB       LYS  90  20.453   1.168  -4.039
  743   1HG   LYS  90          1HG       LYS  90  19.361   2.009  -2.218
  744   2HG   LYS  90          2HG       LYS  90  20.807   2.464  -1.354
  745   1HD   LYS  90          1HD       LYS  90  19.657   3.903  -3.785
  746   2HD   LYS  90          2HD       LYS  90  19.489   4.415  -2.114
  747   1HE   LYS  90          1HE       LYS  90  22.034   4.430  -3.799
  748   2HE   LYS  90          2HE       LYS  90  21.159   5.787  -3.112
  749   1HZ   LYS  90          3HZ       LYS  90  21.780   4.865  -0.883
  750   2HZ   LYS  90          1HZ       LYS  90  22.797   3.815  -1.661
  751   3HZ   LYS  90          2HZ       LYS  90  23.021   5.428  -1.787
  752    H    LEU  91           H        LEU  91  23.069  -0.687  -0.635
  753    HA   LEU  91           HA       LEU  91  25.368   0.873  -0.477
  754   1HB   LEU  91          1HB       LEU  91  25.182   1.639   1.881
  755   2HB   LEU  91          2HB       LEU  91  24.481   2.613   0.617
  756    HG   LEU  91           HG       LEU  91  23.187   2.806   2.520
  757   1HD1  LEU  91          3HD1      LEU  91  22.092   2.864   0.392
  758   2HD1  LEU  91          1HD1      LEU  91  21.629   1.161   0.619
  759   3HD1  LEU  91          2HD1      LEU  91  20.996   2.402   1.717
  760   1HD2  LEU  91          3HD2      LEU  91  23.647   0.369   3.468
  761   2HD2  LEU  91          1HD2      LEU  91  22.129   1.206   3.821
  762   3HD2  LEU  91          2HD2      LEU  91  22.158  -0.028   2.578
  763    H    ALA  92           H        ALA  92  23.264  -1.134   1.530
  764    HA   ALA  92           HA       ALA  92  23.748  -2.629   3.138
  765   1HB   ALA  92          2HB       ALA  92  23.688  -3.891   0.985
  766   2HB   ALA  92          3HB       ALA  92  25.460  -3.788   0.900
  767   3HB   ALA  92          1HB       ALA  92  24.677  -4.686   2.218
  768    H    MET  93           H        MET  93  25.799  -0.350   3.039
  769    HA   MET  93           HA       MET  93  27.640  -1.525   5.040
  770   1HB   MET  93          1HB       MET  93  28.514   0.107   2.600
  771   2HB   MET  93          2HB       MET  93  29.551  -0.360   3.949
  772   1HG   MET  93          1HG       MET  93  29.226  -2.750   3.387
  773   2HG   MET  93          2HG       MET  93  28.219  -2.280   2.013
  774   1HE   MET  93          1HE       MET  93  31.847  -2.235   3.490
  775   2HE   MET  93          2HE       MET  93  32.761  -1.522   2.141
  776   3HE   MET  93          3HE       MET  93  31.656  -0.508   3.088
  777    H    ASP  94           H        ASP  94  25.309   0.454   4.787
  778    HA   ASP  94           HA       ASP  94  26.531   2.906   6.066
  779   1HB   ASP  94          1HB       ASP  94  24.126   2.403   4.333
  780   2HB   ASP  94          2HB       ASP  94  24.010   3.660   5.562
  781    H    THR  95           H        THR  95  23.520   1.023   5.919
  782    HA   THR  95           HA       THR  95  23.204   0.954   8.860
  783    HB   THR  95           HB       THR  95  20.781   1.744   8.298
  784    HG1  THR  95          1HG       THR  95  22.180   2.952   6.146
  785   1HG2  THR  95          1HG2      THR  95  22.329   3.142   9.603
  786   2HG2  THR  95          2HG2      THR  95  23.012   3.815   8.107
  787   3HG2  THR  95          3HG2      THR  95  21.315   4.106   8.531
  788    H    TYR  96           H        TYR  96  21.815  -0.631   9.512
  789    HA   TYR  96           HA       TYR  96  20.477  -2.357   7.480
  790   1HB   TYR  96          1HB       TYR  96  22.148  -3.593   8.898
  791   2HB   TYR  96          2HB       TYR  96  21.285  -3.057  10.337
  792    HD1  TYR  96          1HD       TYR  96  20.593  -4.776   7.039
  793    HD2  TYR  96          2HD       TYR  96  19.783  -4.626  11.271
  794    HE1  TYR  96          1HE       TYR  96  18.941  -6.601   6.789
  795    HE2  TYR  96          2HE       TYR  96  18.141  -6.459  11.020
  796    HH   TYR  96           HH       TYR  96  17.040  -7.866   9.541
  797    H    LYS  97           H        LYS  97  18.419  -3.214   8.987
  798    HA   LYS  97           HA       LYS  97  16.607  -2.872  10.238
  799   1HB   LYS  97          1HB       LYS  97  18.033  -1.905  11.957
  800   2HB   LYS  97          2HB       LYS  97  17.912  -0.298  11.229
  801   1HG   LYS  97          1HG       LYS  97  15.514  -0.250  11.565
  802   2HG   LYS  97          2HG       LYS  97  15.557  -1.862  12.289
  803   1HD   LYS  97          1HD       LYS  97  17.070   0.600  13.313
  804   2HD   LYS  97          2HD       LYS  97  15.469   0.110  13.879
  805   1HE   LYS  97          1HE       LYS  97  18.029  -1.511  14.203
  806   2HE   LYS  97          2HE       LYS  97  17.225  -0.548  15.434
  807   1HZ   LYS  97          3HZ       LYS  97  15.263  -1.956  15.150
  808   2HZ   LYS  97          1HZ       LYS  97  16.161  -2.999  14.190
  809   3HZ   LYS  97          2HZ       LYS  97  16.569  -2.706  15.766
  810    H    LEU  98           H        LEU  98  17.593   0.266   9.009
  811    HA   LEU  98           HA       LEU  98  16.392   1.934   7.974
  812   1HB   LEU  98          1HB       LEU  98  16.295   1.538   5.659
  813   2HB   LEU  98          2HB       LEU  98  17.783   0.897   6.329
  814    HG   LEU  98           HG       LEU  98  15.425  -0.966   5.748
  815   1HD1  LEU  98          1HD1      LEU  98  15.730   0.384   3.796
  816   2HD1  LEU  98          2HD1      LEU  98  17.480  -0.013   3.782
  817   3HD1  LEU  98          3HD1      LEU  98  16.248  -1.277   3.526
  818   1HD2  LEU  98          2HD2      LEU  98  18.470  -1.303   5.801
  819   2HD2  LEU  98          3HD2      LEU  98  17.308  -2.037   6.928
  820   3HD2  LEU  98          1HD2      LEU  98  17.325  -2.548   5.253
  821    H    ASN  99           H        ASN  99  14.615   1.468   9.650
  822    HA   ASN  99           HA       ASN  99  12.122   1.814   8.199
  823   1HB   ASN  99          2HB       ASN  99  10.839   0.126   9.249
  824   2HB   ASN  99          3HB       ASN  99  12.257  -0.728   8.642
  825   1HD2  ASN  99          2HD2      ASN  99  13.384  -1.710  11.860
  826   2HD2  ASN  99          1HD2      ASN  99  13.815  -1.502  10.153
   
  No H/Q in entry =         826
  Start of MODEL   13
    1   1H    MET   0          3H        MET   0   0.112  23.669  -6.570
    2   2H    MET   0          1H        MET   0   0.544  22.864  -5.196
    3   3H    MET   0          2H        MET   0   0.644  24.496  -5.274
    4    HA   MET   0           HA       MET   0   2.425  24.501  -6.750
    5   1HB   MET   0          2HB       MET   0   3.048  22.063  -5.054
    6   2HB   MET   0          3HB       MET   0   4.169  23.238  -5.776
    7   1HG   MET   0          2HG       MET   0   3.001  25.005  -4.291
    8   2HG   MET   0          3HG       MET   0   2.316  23.604  -3.442
    9   1HE   MET   0          3HE       MET   0   5.447  25.741  -4.221
   10   2HE   MET   0          1HE       MET   0   6.765  24.817  -3.470
   11   3HE   MET   0          2HE       MET   0   5.992  24.210  -4.938
   12    H    ALA   1           H        ALA   1   3.961  21.858  -7.215
   13    HA   ALA   1           HA       ALA   1   2.303  20.722  -9.426
   14   1HB   ALA   1          2HB       ALA   1   5.034  22.003  -9.538
   15   2HB   ALA   1          3HB       ALA   1   4.426  20.923 -10.813
   16   3HB   ALA   1          1HB       ALA   1   3.593  22.452 -10.469
   17    H    ARG   2           H        ARG   2   2.056  19.050  -7.852
   18    HA   ARG   2           HA       ARG   2   4.480  17.648  -6.882
   19   1HB   ARG   2          1HB       ARG   2   2.960  16.363  -5.517
   20   2HB   ARG   2          2HB       ARG   2   2.800  18.094  -5.269
   21   1HG   ARG   2          1HG       ARG   2   0.599  18.008  -5.652
   22   2HG   ARG   2          2HG       ARG   2   0.881  17.405  -7.287
   23   1HD   ARG   2          1HD       ARG   2   1.174  15.052  -6.165
   24   2HD   ARG   2          2HD       ARG   2   0.505  15.816  -4.725
   25    HE   ARG   2           HE       ARG   2  -1.601  15.961  -5.746
   26   1HH1  ARG   2          2HH2      ARG   2   0.814  15.268  -8.266
   27   2HH1  ARG   2          1HH2      ARG   2  -0.432  14.960  -9.455
   28   1HH2  ARG   2          2HH1      ARG   2  -3.138  15.106  -7.195
   29   2HH2  ARG   2          1HH1      ARG   2  -2.692  14.752  -8.840
   30    H    ILE   3           H        ILE   3   4.915  17.315  -9.266
   31    HA   ILE   3           HA       ILE   3   3.564  15.319 -10.732
   32    HB   ILE   3           HB       ILE   3   5.083  16.618 -11.920
   33   1HG1  ILE   3          1HG1      ILE   3   6.621  15.165 -12.962
   34   2HG1  ILE   3          2HG1      ILE   3   6.650  14.037 -11.598
   35   1HG2  ILE   3          3HG2      ILE   3   7.262  15.939  -9.911
   36   2HG2  ILE   3          1HG2      ILE   3   7.536  16.737 -11.467
   37   3HG2  ILE   3          2HG2      ILE   3   6.553  17.534 -10.251
   38   1HD1  ILE   3          2HD1      ILE   3   4.145  14.637 -13.237
   39   2HD1  ILE   3          3HD1      ILE   3   5.292  13.336 -13.615
   40   3HD1  ILE   3          1HD1      ILE   3   4.387  13.303 -12.095
   41    H    ASP   4           H        ASP   4   3.058  13.391  -9.912
   42    HA   ASP   4           HA       ASP   4   4.187  12.480  -7.559
   43   1HB   ASP   4          1HB       ASP   4   1.944  11.929  -8.161
   44   2HB   ASP   4          2HB       ASP   4   2.489  10.904  -9.507
   45    HA   PRO   5           HA       PRO   5   7.782  10.432  -9.322
   46   1HB   PRO   5          1HB       PRO   5   9.159   9.886  -7.050
   47   2HB   PRO   5          2HB       PRO   5   8.793  11.563  -7.532
   48   1HG   PRO   5          1HG       PRO   5   7.195   9.820  -5.618
   49   2HG   PRO   5          2HG       PRO   5   7.883  11.436  -5.290
   50   1HD   PRO   5          1HD       PRO   5   5.323  11.140  -6.136
   51   2HD   PRO   5          2HD       PRO   5   6.335  12.492  -6.734
   52    H    THR   6           H        THR   6   5.211   8.699  -8.720
   53    HA   THR   6           HA       THR   6   4.710   6.537  -8.990
   54    HB   THR   6           HB       THR   6   6.134   5.084 -10.204
   55    HG1  THR   6          1HG       THR   6   8.248   6.816  -9.516
   56   1HG2  THR   6          3HG2      THR   6   5.146   6.868 -11.541
   57   2HG2  THR   6          1HG2      THR   6   6.556   7.916 -11.251
   58   3HG2  THR   6          2HG2      THR   6   6.725   6.418 -12.182
   59    H    LYS   7           H        LYS   7   5.370   7.388  -6.407
   60    HA   LYS   7           HA       LYS   7   6.412   4.897  -5.185
   61   1HB   LYS   7          1HB       LYS   7   7.793   7.411  -5.411
   62   2HB   LYS   7          2HB       LYS   7   7.306   7.315  -3.754
   63   1HG   LYS   7          1HG       LYS   7   8.923   5.327  -5.389
   64   2HG   LYS   7          2HG       LYS   7   9.576   6.400  -4.164
   65   1HD   LYS   7          1HD       LYS   7   7.549   4.193  -3.485
   66   2HD   LYS   7          2HD       LYS   7   9.261   3.904  -3.611
   67   1HE   LYS   7          1HE       LYS   7   8.528   4.224  -1.279
   68   2HE   LYS   7          2HE       LYS   7   9.754   5.405  -1.742
   69   1HZ   LYS   7          2HZ       LYS   7   6.868   6.004  -1.739
   70   2HZ   LYS   7          3HZ       LYS   7   7.891   6.239  -0.459
   71   3HZ   LYS   7          1HZ       LYS   7   8.135   7.070  -1.847
   72    H    LYS   8           H        LYS   8   3.698   5.685  -5.499
   73    HA   LYS   8           HA       LYS   8   2.984   7.250  -3.112
   74   1HB   LYS   8          1HB       LYS   8   0.755   7.366  -4.100
   75   2HB   LYS   8          2HB       LYS   8   2.046   7.970  -5.135
   76   1HG   LYS   8          1HG       LYS   8   1.410   5.135  -5.678
   77   2HG   LYS   8          2HG       LYS   8   0.006   6.203  -5.803
   78   1HD   LYS   8          1HD       LYS   8   1.208   7.701  -7.361
   79   2HD   LYS   8          2HD       LYS   8   2.671   6.733  -7.188
   80   1HE   LYS   8          1HE       LYS   8   1.577   6.175  -9.279
   81   2HE   LYS   8          2HE       LYS   8   1.537   4.777  -8.195
   82   1HZ   LYS   8          1HZ       LYS   8  -0.763   6.587  -8.671
   83   2HZ   LYS   8          2HZ       LYS   8  -0.580   5.086  -9.277
   84   3HZ   LYS   8          3HZ       LYS   8  -0.739   5.263  -7.687
   85    H    GLY   9           H        GLY   9   3.971   4.805  -2.233
   86   1HA   GLY   9          1HA       GLY   9   1.817   2.987  -1.614
   87   2HA   GLY   9          2HA       GLY   9   3.375   3.101  -0.791
   88    H    ARG  10           H        ARG  10   3.645   5.187   0.531
   89    HA   ARG  10           HA       ARG  10   3.355   5.435   2.715
   90   1HB   ARG  10          1HB       ARG  10   1.991   7.213   3.377
   91   2HB   ARG  10          2HB       ARG  10   2.829   7.591   1.894
   92   1HG   ARG  10          1HG       ARG  10  -0.077   6.589   1.862
   93   2HG   ARG  10          2HG       ARG  10   0.273   8.244   2.323
   94   1HD   ARG  10          1HD       ARG  10   0.877   6.951  -0.337
   95   2HD   ARG  10          2HD       ARG  10  -0.317   8.212   0.031
   96    HE   ARG  10           HE       ARG  10   2.342   9.111   0.771
   97   1HH1  ARG  10          2HH2      ARG  10   0.213   8.634  -1.970
   98   2HH1  ARG  10          1HH2      ARG  10   1.187   9.545  -3.083
   99   1HH2  ARG  10          2HH1      ARG  10   3.700  10.160  -0.621
  100   2HH2  ARG  10          1HH1      ARG  10   3.417  10.158  -2.372
  101    H    ARG  11           H        ARG  11   2.492   2.941   2.336
  102    HA   ARG  11           HA       ARG  11  -0.083   2.505   3.314
  103   1HB   ARG  11          1HB       ARG  11   1.180   0.893   2.108
  104   2HB   ARG  11          2HB       ARG  11   2.427   0.810   3.359
  105   1HG   ARG  11          1HG       ARG  11  -0.483  -0.092   3.655
  106   2HG   ARG  11          2HG       ARG  11   0.845  -1.129   3.157
  107   1HD   ARG  11          1HD       ARG  11   0.270  -0.048   5.893
  108   2HD   ARG  11          2HD       ARG  11   0.618  -1.669   5.339
  109    HE   ARG  11           HE       ARG  11   2.842   0.369   5.261
  110   1HH1  ARG  11          2HH2      ARG  11   1.409  -2.134   7.240
  111   2HH1  ARG  11          1HH2      ARG  11   2.944  -2.848   7.689
  112   1HH2  ARG  11          2HH1      ARG  11   4.741  -0.274   6.031
  113   2HH2  ARG  11          1HH1      ARG  11   4.954  -1.837   6.849
  114    H    ASN  12           H        ASN  12  -0.680   2.088   5.401
  115    HA   ASN  12           HA       ASN  12   0.868   1.589   7.594
  116   1HB   ASN  12          1HB       ASN  12   1.527   4.105   7.428
  117   2HB   ASN  12          2HB       ASN  12  -0.079   4.441   8.063
  118   1HD2  ASN  12          2HD2      ASN  12   2.835   3.326  10.536
  119   2HD2  ASN  12          1HD2      ASN  12   2.956   4.326   9.102
  120    H    ARG  13           H        ARG  13  -1.967   3.811   7.252
  121    HA   ARG  13           HA       ARG  13  -3.514   2.608   9.244
  122   1HB   ARG  13          1HB       ARG  13  -5.532   3.463   7.860
  123   2HB   ARG  13          2HB       ARG  13  -4.414   4.596   8.609
  124   1HG   ARG  13          1HG       ARG  13  -3.379   5.163   6.556
  125   2HG   ARG  13          2HG       ARG  13  -4.162   3.853   5.659
  126   1HD   ARG  13          1HD       ARG  13  -5.834   5.942   7.093
  127   2HD   ARG  13          2HD       ARG  13  -5.097   6.302   5.527
  128    HE   ARG  13           HE       ARG  13  -6.322   3.956   4.941
  129   1HH1  ARG  13          2HH2      ARG  13  -7.853   6.643   6.772
  130   2HH1  ARG  13          1HH2      ARG  13  -9.103   6.802   5.579
  131   1HH2  ARG  13          2HH1      ARG  13  -8.069   4.007   3.695
  132   2HH2  ARG  13          1HH1      ARG  13  -9.407   5.112   3.952
  133    H    PHE  14           H        PHE  14  -3.662   1.922   5.715
  134    HA   PHE  14           HA       PHE  14  -5.373  -0.347   6.041
  135   1HB   PHE  14          1HB       PHE  14  -5.049   0.752   3.841
  136   2HB   PHE  14          2HB       PHE  14  -3.367   0.213   3.818
  137    HD1  PHE  14          2HD       PHE  14  -6.925  -0.866   3.599
  138    HD2  PHE  14          1HD       PHE  14  -2.804  -2.175   3.494
  139    HE1  PHE  14          2HE       PHE  14  -7.661  -3.194   3.173
  140    HE2  PHE  14          1HE       PHE  14  -3.579  -4.503   3.139
  141    HZ   PHE  14           HZ       PHE  14  -5.963  -5.021   2.995
  142    H    LYS  15           H        LYS  15  -4.963  -2.307   6.750
  143    HA   LYS  15           HA       LYS  15  -2.223  -3.362   6.880
  144   1HB   LYS  15          1HB       LYS  15  -2.677  -4.180   9.194
  145   2HB   LYS  15          2HB       LYS  15  -2.445  -2.432   9.034
  146   1HG   LYS  15          1HG       LYS  15  -4.957  -2.116   9.139
  147   2HG   LYS  15          2HG       LYS  15  -5.125  -3.857   9.344
  148   1HD   LYS  15          1HD       LYS  15  -5.266  -2.684  11.499
  149   2HD   LYS  15          2HD       LYS  15  -3.913  -3.817  11.448
  150   1HE   LYS  15          1HE       LYS  15  -3.317  -1.677  12.551
  151   2HE   LYS  15          2HE       LYS  15  -2.298  -1.997  11.166
  152   1HZ   LYS  15          3HZ       LYS  15  -3.744  -0.406   9.902
  153   2HZ   LYS  15          1HZ       LYS  15  -4.591  -0.122  11.263
  154   3HZ   LYS  15          2HZ       LYS  15  -2.987   0.254  11.205
  155    H    TRP  16           H        TRP  16  -2.235  -5.413   6.305
  156    HA   TRP  16           HA       TRP  16  -4.637  -6.784   5.359
  157   1HB   TRP  16          1HB       TRP  16  -1.741  -7.606   5.837
  158   2HB   TRP  16          2HB       TRP  16  -2.970  -8.540   4.988
  159    HD1  TRP  16           HD       TRP  16  -1.115  -5.165   4.449
  160    HE1  TRP  16          1HE       TRP  16  -0.614  -4.914   1.935
  161    HE3  TRP  16          3HE       TRP  16  -3.411  -9.385   2.737
  162    HZ2  TRP  16          2HZ       TRP  16  -1.193  -6.316  -0.458
  163    HZ3  TRP  16          3HZ       TRP  16  -3.190 -10.033   0.333
  164    HH2  TRP  16           HH       TRP  16  -2.215  -8.453  -1.291
  165    H    GLY  17           H        GLY  17  -5.636  -8.559   6.678
  166   1HA   GLY  17          1HA       GLY  17  -5.037  -8.431   9.539
  167   2HA   GLY  17          2HA       GLY  17  -6.235  -9.447   8.747
  168    HA   PRO  18           HA       PRO  18  -2.099 -11.361  10.012
  169   1HB   PRO  18          1HB       PRO  18  -3.073 -13.419  11.707
  170   2HB   PRO  18          2HB       PRO  18  -2.456 -11.820  12.200
  171   1HG   PRO  18          1HG       PRO  18  -5.324 -12.648  11.698
  172   2HG   PRO  18          2HG       PRO  18  -4.685 -11.668  13.050
  173   1HD   PRO  18          1HD       PRO  18  -5.870 -10.454  10.967
  174   2HD   PRO  18          2HD       PRO  18  -4.347  -9.781  11.600
  175    H    ALA  19           H        ALA  19  -4.843 -12.903   8.523
  176    HA   ALA  19           HA       ALA  19  -3.476 -15.562   8.423
  177   1HB   ALA  19          2HB       ALA  19  -5.929 -15.521   8.738
  178   2HB   ALA  19          3HB       ALA  19  -6.117 -14.665   7.184
  179   3HB   ALA  19          1HB       ALA  19  -5.458 -16.311   7.221
  180    H    SER  20           H        SER  20  -4.511 -12.910   6.350
  181    HA   SER  20           HA       SER  20  -3.923 -13.891   3.851
  182   1HB   SER  20          1HB       SER  20  -3.800 -11.592   3.216
  183   2HB   SER  20          2HB       SER  20  -5.104 -11.788   4.431
  184    HG   SER  20           HG       SER  20  -3.755 -10.883   5.960
  185    H    GLN  21           H        GLN  21  -1.643 -12.770   6.285
  186    HA   GLN  21           HA       GLN  21   0.558 -12.161   4.595
  187   1HB   GLN  21          1HB       GLN  21   0.652 -13.261   7.430
  188   2HB   GLN  21          2HB       GLN  21   1.908 -12.339   6.588
  189   1HG   GLN  21          1HG       GLN  21  -0.822 -11.312   7.508
  190   2HG   GLN  21          2HG       GLN  21   0.765 -10.870   8.124
  191   1HE2  GLN  21          2HE2      GLN  21  -0.600  -9.161   4.634
  192   2HE2  GLN  21          1HE2      GLN  21  -1.478 -10.496   5.335
  193    H    GLN  22           H        GLN  22  -0.704 -15.243   5.823
  194    HA   GLN  22           HA       GLN  22   1.421 -16.945   5.080
  195   1HB   GLN  22          1HB       GLN  22  -0.533 -17.622   6.422
  196   2HB   GLN  22          2HB       GLN  22  -1.609 -17.327   5.048
  197   1HG   GLN  22          1HG       GLN  22  -1.226 -19.679   5.441
  198   2HG   GLN  22          2HG       GLN  22  -0.759 -19.148   3.819
  199   1HE2  GLN  22          2HE2      GLN  22   2.201 -21.073   4.435
  200   2HE2  GLN  22          1HE2      GLN  22   0.681 -21.017   3.564
  201    H    ILE  23           H        ILE  23  -1.265 -15.550   3.180
  202    HA   ILE  23           HA       ILE  23  -0.542 -16.960   0.750
  203    HB   ILE  23           HB       ILE  23  -2.512 -14.706   1.310
  204   1HG1  ILE  23          1HG1      ILE  23  -3.943 -16.884   0.505
  205   2HG1  ILE  23          2HG1      ILE  23  -2.597 -17.722   1.257
  206   1HG2  ILE  23          3HG2      ILE  23  -1.759 -14.554  -1.032
  207   2HG2  ILE  23          1HG2      ILE  23  -2.164 -16.268  -1.267
  208   3HG2  ILE  23          2HG2      ILE  23  -3.431 -15.073  -0.894
  209   1HD1  ILE  23          2HD1      ILE  23  -3.062 -16.420   3.355
  210   2HD1  ILE  23          3HD1      ILE  23  -4.442 -15.673   2.500
  211   3HD1  ILE  23          1HD1      ILE  23  -4.415 -17.425   2.795
  212    H    LEU  24           H        LEU  24   0.143 -13.750   2.153
  213    HA   LEU  24           HA       LEU  24   1.478 -12.725  -0.179
  214   1HB   LEU  24          1HB       LEU  24   2.008 -12.238   2.808
  215   2HB   LEU  24          2HB       LEU  24   2.850 -11.423   1.508
  216    HG   LEU  24           HG       LEU  24  -0.121 -11.227   2.097
  217   1HD1  LEU  24          1HD1      LEU  24   1.450  -9.872   3.513
  218   2HD1  LEU  24          2HD1      LEU  24   2.037  -9.095   2.037
  219   3HD1  LEU  24          3HD1      LEU  24   0.348  -8.890   2.521
  220   1HD2  LEU  24          3HD2      LEU  24   1.480 -10.472  -0.322
  221   2HD2  LEU  24          1HD2      LEU  24  -0.195 -11.037  -0.199
  222   3HD2  LEU  24          2HD2      LEU  24   0.209  -9.359   0.209
  223    H    PHE  25           H        PHE  25   2.753 -14.622   2.583
  224    HA   PHE  25           HA       PHE  25   5.364 -14.887   1.539
  225   1HB   PHE  25          1HB       PHE  25   3.881 -16.799   3.356
  226   2HB   PHE  25          2HB       PHE  25   5.624 -16.713   3.142
  227    HD1  PHE  25          1HD       PHE  25   6.117 -13.727   3.244
  228    HD2  PHE  25          2HD       PHE  25   3.643 -16.299   5.678
  229    HE1  PHE  25          1HE       PHE  25   6.179 -12.070   5.066
  230    HE2  PHE  25          2HE       PHE  25   3.726 -14.638   7.501
  231    HZ   PHE  25           HZ       PHE  25   4.969 -12.502   7.197
  232    H    GLN  26           H        GLN  26   2.535 -17.060   1.119
  233    HA   GLN  26           HA       GLN  26   3.918 -19.110  -0.170
  234   1HB   GLN  26          1HB       GLN  26   1.900 -20.111  -0.519
  235   2HB   GLN  26          2HB       GLN  26   1.382 -18.906   0.644
  236   1HG   GLN  26          1HG       GLN  26   0.513 -17.512  -1.214
  237   2HG   GLN  26          2HG       GLN  26   1.181 -18.627  -2.396
  238   1HE2  GLN  26          2HE2      GLN  26  -2.163 -19.904  -0.412
  239   2HE2  GLN  26          1HE2      GLN  26  -1.015 -18.927   0.479
  240    H    ALA  27           H        ALA  27   3.360 -15.986  -1.494
  241    HA   ALA  27           HA       ALA  27   4.210 -17.022  -4.190
  242   1HB   ALA  27          2HB       ALA  27   2.968 -14.354  -3.332
  243   2HB   ALA  27          3HB       ALA  27   3.449 -14.771  -4.991
  244   3HB   ALA  27          1HB       ALA  27   2.113 -15.646  -4.203
  245    H    TYR  28           H        TYR  28   4.848 -14.522  -1.678
  246    HA   TYR  28           HA       TYR  28   7.010 -13.251  -2.854
  247   1HB   TYR  28          1HB       TYR  28   5.838 -12.691  -0.676
  248   2HB   TYR  28          2HB       TYR  28   6.801 -13.942   0.091
  249    HD1  TYR  28          2HD       TYR  28   7.221 -10.867  -2.063
  250    HD2  TYR  28          1HD       TYR  28   8.826 -13.291   1.121
  251    HE1  TYR  28          2HE       TYR  28   9.172  -9.361  -1.909
  252    HE2  TYR  28          1HE       TYR  28  10.732 -11.733   1.336
  253    HH   TYR  28           HH       TYR  28  11.265  -9.026  -0.937
  254    H    GLU  29           H        GLU  29   6.963 -16.329  -1.156
  255    HA   GLU  29           HA       GLU  29   9.515 -17.280  -0.972
  256   1HB   GLU  29          1HB       GLU  29   7.429 -18.514  -0.574
  257   2HB   GLU  29          2HB       GLU  29   7.001 -18.434  -2.279
  258   1HG   GLU  29          1HG       GLU  29   9.052 -19.839  -2.768
  259   2HG   GLU  29          2HG       GLU  29   9.222 -20.043  -1.023
  260    H    ARG  30           H        ARG  30   7.624 -17.381  -3.991
  261    HA   ARG  30           HA       ARG  30  10.047 -17.948  -5.572
  262   1HB   ARG  30          1HB       ARG  30   7.051 -18.093  -5.998
  263   2HB   ARG  30          2HB       ARG  30   8.116 -18.063  -7.409
  264   1HG   ARG  30          1HG       ARG  30   9.068 -20.101  -6.987
  265   2HG   ARG  30          2HG       ARG  30   8.746 -20.051  -5.248
  266   1HD   ARG  30          1HD       ARG  30   6.363 -20.076  -7.138
  267   2HD   ARG  30          2HD       ARG  30   7.277 -21.562  -6.886
  268    HE   ARG  30           HE       ARG  30   7.039 -21.241  -4.423
  269   1HH1  ARG  30          2HH2      ARG  30   4.546 -19.528  -6.270
  270   2HH1  ARG  30          1HH2      ARG  30   3.487 -19.568  -4.877
  271   1HH2  ARG  30          2HH1      ARG  30   5.620 -21.519  -2.894
  272   2HH2  ARG  30          1HH1      ARG  30   4.186 -20.567  -2.897
  273    H    GLN  31           H        GLN  31   7.166 -15.856  -5.811
  274    HA   GLN  31           HA       GLN  31   8.496 -14.186  -7.876
  275   1HB   GLN  31          1HB       GLN  31   5.598 -14.795  -7.205
  276   2HB   GLN  31          2HB       GLN  31   6.097 -13.482  -8.291
  277   1HG   GLN  31          1HG       GLN  31   6.977 -14.909  -9.909
  278   2HG   GLN  31          2HG       GLN  31   7.238 -16.226  -8.771
  279   1HE2  GLN  31          2HE2      GLN  31   3.477 -15.881 -10.424
  280   2HE2  GLN  31          1HE2      GLN  31   4.292 -14.401  -9.962
  281    H    LYS  32           H        LYS  32   9.544 -12.594  -6.905
  282    HA   LYS  32           HA       LYS  32   8.155 -10.978  -4.799
  283   1HB   LYS  32          1HB       LYS  32  11.101 -11.097  -5.559
  284   2HB   LYS  32          2HB       LYS  32  10.378 -10.096  -4.284
  285   1HG   LYS  32          1HG       LYS  32   9.441 -12.185  -3.259
  286   2HG   LYS  32          2HG       LYS  32  10.389 -13.169  -4.341
  287   1HD   LYS  32          1HD       LYS  32  11.714 -11.082  -2.539
  288   2HD   LYS  32          2HD       LYS  32  11.196 -12.659  -1.918
  289   1HE   LYS  32          1HE       LYS  32  13.561 -12.707  -2.491
  290   2HE   LYS  32          2HE       LYS  32  12.623 -13.862  -3.450
  291   1HZ   LYS  32          3HZ       LYS  32  13.362 -11.188  -4.472
  292   2HZ   LYS  32          1HZ       LYS  32  14.304 -12.523  -4.660
  293   3HZ   LYS  32          2HZ       LYS  32  12.782 -12.501  -5.308
  294    H    ASN  33           H        ASN  33   8.203 -11.027  -8.118
  295    HA   ASN  33           HA       ASN  33   7.611  -8.225  -8.023
  296   1HB   ASN  33          1HB       ASN  33   8.262  -7.815 -10.138
  297   2HB   ASN  33          2HB       ASN  33   9.711  -8.431  -9.353
  298   1HD2  ASN  33          2HD2      ASN  33  10.066 -10.993 -11.820
  299   2HD2  ASN  33          1HD2      ASN  33  10.690 -10.348 -10.320
  300    HA   PRO  34           HA       PRO  34   3.976 -10.449  -8.693
  301   1HB   PRO  34          1HB       PRO  34   2.173  -8.441  -9.211
  302   2HB   PRO  34          2HB       PRO  34   2.863  -8.836  -7.621
  303   1HG   PRO  34          1HG       PRO  34   3.741  -6.715  -9.598
  304   2HG   PRO  34          2HG       PRO  34   3.493  -6.528  -7.836
  305   1HD   PRO  34          1HD       PRO  34   5.975  -6.943  -8.833
  306   2HD   PRO  34          2HD       PRO  34   5.452  -7.787  -7.348
  307    H    SER  35           H        SER  35   4.144 -11.772 -10.445
  308    HA   SER  35           HA       SER  35   4.833 -10.876 -13.007
  309   1HB   SER  35          1HB       SER  35   4.959 -13.244 -11.663
  310   2HB   SER  35          2HB       SER  35   3.646 -13.632 -12.772
  311    HG   SER  35           HG       SER  35   5.063 -12.926 -14.466
  312    H    LYS  36           H        LYS  36   1.798 -12.732 -12.365
  313    HA   LYS  36           HA       LYS  36   0.188 -10.536 -12.991
  314   1HB   LYS  36          1HB       LYS  36   0.818 -11.223 -15.382
  315   2HB   LYS  36          2HB       LYS  36  -0.140 -12.675 -15.119
  316   1HG   LYS  36          1HG       LYS  36  -2.020 -11.022 -14.253
  317   2HG   LYS  36          2HG       LYS  36  -1.005  -9.749 -14.889
  318   1HD   LYS  36          1HD       LYS  36  -2.636  -9.996 -16.445
  319   2HD   LYS  36          2HD       LYS  36  -1.309 -10.864 -17.211
  320   1HE   LYS  36          1HE       LYS  36  -3.335 -12.375 -15.469
  321   2HE   LYS  36          2HE       LYS  36  -3.826 -11.820 -17.066
  322   1HZ   LYS  36          1HZ       LYS  36  -1.547 -13.611 -16.559
  323   2HZ   LYS  36          2HZ       LYS  36  -2.987 -14.056 -17.026
  324   3HZ   LYS  36          3HZ       LYS  36  -2.111 -13.090 -18.060
  325    H    GLU  37           H        GLU  37  -0.404 -14.058 -13.666
  326    HA   GLU  37           HA       GLU  37  -2.877 -14.189 -12.716
  327   1HB   GLU  37          1HB       GLU  37  -0.494 -15.970 -13.322
  328   2HB   GLU  37          2HB       GLU  37  -1.532 -16.597 -12.092
  329   1HG   GLU  37          1HG       GLU  37  -2.318 -17.414 -14.236
  330   2HG   GLU  37          2HG       GLU  37  -3.537 -16.303 -13.581
  331    H    GLU  38           H        GLU  38   0.118 -14.807 -11.023
  332    HA   GLU  38           HA       GLU  38  -0.164 -15.226  -8.415
  333   1HB   GLU  38          1HB       GLU  38   1.880 -14.613  -9.606
  334   2HB   GLU  38          2HB       GLU  38   1.320 -12.945  -9.804
  335   1HG   GLU  38          1HG       GLU  38   1.404 -12.662  -7.330
  336   2HG   GLU  38          2HG       GLU  38   2.050 -14.315  -7.184
  337    H    ARG  39           H        ARG  39  -0.716 -11.922  -9.798
  338    HA   ARG  39           HA       ARG  39  -1.377 -10.847  -7.255
  339   1HB   ARG  39          1HB       ARG  39  -1.969  -9.891 -10.105
  340   2HB   ARG  39          2HB       ARG  39  -2.376  -8.939  -8.671
  341   1HG   ARG  39          1HG       ARG  39  -0.064  -8.777  -8.022
  342   2HG   ARG  39          2HG       ARG  39   0.439  -9.865  -9.329
  343   1HD   ARG  39          1HD       ARG  39  -1.194  -7.508 -10.185
  344   2HD   ARG  39          2HD       ARG  39   0.360  -7.066  -9.494
  345    HE   ARG  39           HE       ARG  39   1.187  -8.953 -11.200
  346   1HH1  ARG  39          2HH2      ARG  39  -0.833  -6.037 -11.716
  347   2HH1  ARG  39          1HH2      ARG  39  -0.925  -6.350 -13.445
  348   1HH2  ARG  39          2HH1      ARG  39   1.514  -8.862 -13.523
  349   2HH2  ARG  39          1HH1      ARG  39   0.502  -7.836 -14.481
  350    H    GLU  40           H        GLU  40  -3.385 -11.923  -9.989
  351    HA   GLU  40           HA       GLU  40  -5.890 -11.072  -8.978
  352   1HB   GLU  40          1HB       GLU  40  -4.868 -12.619 -11.189
  353   2HB   GLU  40          2HB       GLU  40  -6.289 -13.413 -10.510
  354   1HG   GLU  40          1HG       GLU  40  -7.088 -11.980 -12.204
  355   2HG   GLU  40          2HG       GLU  40  -7.510 -11.178 -10.689
  356    H    THR  41           H        THR  41  -4.271 -14.222  -8.933
  357    HA   THR  41           HA       THR  41  -5.773 -15.750  -7.185
  358    HB   THR  41           HB       THR  41  -2.971 -15.575  -8.142
  359    HG1  THR  41          1HG       THR  41  -4.714 -17.740  -7.708
  360   1HG2  THR  41          2HG2      THR  41  -3.392 -17.013  -5.539
  361   2HG2  THR  41          3HG2      THR  41  -2.075 -17.324  -6.703
  362   3HG2  THR  41          1HG2      THR  41  -2.200 -15.754  -5.938
  363    H    LEU  42           H        LEU  42  -3.106 -13.530  -6.299
  364    HA   LEU  42           HA       LEU  42  -3.167 -14.143  -3.539
  365   1HB   LEU  42          1HB       LEU  42  -1.953 -12.019  -5.278
  366   2HB   LEU  42          2HB       LEU  42  -2.220 -11.544  -3.618
  367    HG   LEU  42           HG       LEU  42  -0.985 -14.201  -3.660
  368   1HD1  LEU  42          2HD1      LEU  42   0.365 -11.989  -5.236
  369   2HD1  LEU  42          3HD1      LEU  42   1.277 -13.250  -4.396
  370   3HD1  LEU  42          1HD1      LEU  42   0.141 -13.709  -5.655
  371   1HD2  LEU  42          1HD2      LEU  42  -1.099 -12.542  -1.760
  372   2HD2  LEU  42          2HD2      LEU  42   0.528 -13.149  -2.133
  373   3HD2  LEU  42          3HD2      LEU  42   0.049 -11.520  -2.654
  374    H    VAL  43           H        VAL  43  -4.747 -11.503  -5.381
  375    HA   VAL  43           HA       VAL  43  -5.790 -10.278  -3.014
  376    HB   VAL  43           HB       VAL  43  -6.799 -10.125  -5.889
  377   1HG1  VAL  43          3HG1      VAL  43  -7.411  -8.659  -3.298
  378   2HG1  VAL  43          1HG1      VAL  43  -7.824  -7.969  -4.888
  379   3HG1  VAL  43          2HG1      VAL  43  -8.567  -9.491  -4.355
  380   1HG2  VAL  43          1HG2      VAL  43  -4.454  -9.225  -5.523
  381   2HG2  VAL  43          2HG2      VAL  43  -5.632  -7.977  -5.941
  382   3HG2  VAL  43          3HG2      VAL  43  -5.100  -8.170  -4.256
  383    H    GLU  44           H        GLU  44  -7.165 -12.719  -5.271
  384    HA   GLU  44           HA       GLU  44  -9.695 -12.927  -3.955
  385   1HB   GLU  44          1HB       GLU  44  -9.534 -13.772  -6.149
  386   2HB   GLU  44          2HB       GLU  44  -8.029 -14.649  -5.820
  387   1HG   GLU  44          1HG       GLU  44  -9.987 -16.109  -6.195
  388   2HG   GLU  44          2HG       GLU  44  -9.147 -16.376  -4.666
  389    H    GLU  45           H        GLU  45  -6.936 -15.239  -3.731
  390    HA   GLU  45           HA       GLU  45  -7.987 -16.735  -1.624
  391   1HB   GLU  45          1HB       GLU  45  -5.464 -16.521  -2.984
  392   2HB   GLU  45          2HB       GLU  45  -5.169 -16.682  -1.260
  393   1HG   GLU  45          1HG       GLU  45  -6.963 -18.545  -2.853
  394   2HG   GLU  45          2HG       GLU  45  -5.257 -18.850  -2.484
  395    H    CYS  46           H        CYS  46  -6.016 -13.769  -1.485
  396    HA   CYS  46           HA       CYS  46  -5.736 -13.560   1.334
  397   1HB   CYS  46          1HB       CYS  46  -4.629 -11.896  -0.194
  398   2HB   CYS  46          2HB       CYS  46  -6.208 -11.310  -0.695
  399    HG   CYS  46           HG       CYS  46  -5.157  -9.686   0.953
  400    H    ASN  47           H        ASN  47  -8.296 -12.300  -0.837
  401    HA   ASN  47           HA       ASN  47  -9.838 -10.994   1.183
  402   1HB   ASN  47          1HB       ASN  47 -10.327 -11.955  -1.666
  403   2HB   ASN  47          2HB       ASN  47 -11.683 -11.397  -0.735
  404   1HD2  ASN  47          2HD2      ASN  47 -10.077  -8.533  -2.641
  405   2HD2  ASN  47          1HD2      ASN  47 -10.649 -10.138  -3.118
  406    H    ARG  48           H        ARG  48 -10.088 -14.180  -0.310
  407    HA   ARG  48           HA       ARG  48 -12.331 -15.200   1.016
  408   1HB   ARG  48          1HB       ARG  48 -10.927 -16.083  -0.939
  409   2HB   ARG  48          2HB       ARG  48  -9.787 -16.707   0.255
  410   1HG   ARG  48          1HG       ARG  48 -11.728 -18.025   1.249
  411   2HG   ARG  48          2HG       ARG  48 -12.692 -17.517  -0.154
  412   1HD   ARG  48          1HD       ARG  48 -10.043 -19.035  -0.180
  413   2HD   ARG  48          2HD       ARG  48 -11.626 -19.730  -0.557
  414    HE   ARG  48           HE       ARG  48 -11.372 -17.624  -2.390
  415   1HH1  ARG  48          2HH2      ARG  48  -8.921 -20.002  -1.620
  416   2HH1  ARG  48          1HH2      ARG  48  -8.718 -20.569  -3.221
  417   1HH2  ARG  48          2HH1      ARG  48 -10.845 -17.971  -4.415
  418   2HH2  ARG  48          1HH1      ARG  48  -9.723 -19.199  -4.970
  419    H    ALA  49           H        ALA  49  -8.854 -15.536   1.886
  420    HA   ALA  49           HA       ALA  49  -9.204 -16.771   4.382
  421   1HB   ALA  49          3HB       ALA  49  -7.052 -16.622   3.193
  422   2HB   ALA  49          1HB       ALA  49  -6.983 -14.874   3.510
  423   3HB   ALA  49          2HB       ALA  49  -6.913 -16.027   4.861
  424    H    GLU  50           H        GLU  50  -9.074 -13.292   3.591
  425    HA   GLU  50           HA       GLU  50  -9.071 -12.356   6.294
  426   1HB   GLU  50          1HB       GLU  50  -8.174 -11.111   4.418
  427   2HB   GLU  50          2HB       GLU  50  -9.767 -10.971   3.691
  428   1HG   GLU  50          1HG       GLU  50  -9.037  -8.894   4.671
  429   2HG   GLU  50          2HG       GLU  50 -10.461  -9.467   5.526
  430    H    CYS  51           H        CYS  51 -11.683 -13.138   3.948
  431    HA   CYS  51           HA       CYS  51 -13.748 -12.210   5.747
  432   1HB   CYS  51          1HB       CYS  51 -15.279 -12.767   4.319
  433   2HB   CYS  51          2HB       CYS  51 -13.933 -12.784   3.139
  434    HG   CYS  51           HG       CYS  51 -13.601 -15.306   3.157
  435    H    ILE  52           H        ILE  52 -12.279 -15.430   5.133
  436    HA   ILE  52           HA       ILE  52 -13.993 -16.882   6.875
  437    HB   ILE  52           HB       ILE  52 -11.224 -17.392   5.741
  438   1HG1  ILE  52          1HG1      ILE  52 -13.913 -18.747   5.214
  439   2HG1  ILE  52          2HG1      ILE  52 -13.333 -17.366   4.284
  440   1HG2  ILE  52          3HG2      ILE  52 -12.902 -19.270   7.460
  441   2HG2  ILE  52          1HG2      ILE  52 -11.476 -19.763   6.523
  442   3HG2  ILE  52          2HG2      ILE  52 -11.287 -18.634   7.852
  443   1HD1  ILE  52          1HD1      ILE  52 -11.307 -18.653   3.616
  444   2HD1  ILE  52          2HD1      ILE  52 -11.996 -20.091   4.405
  445   3HD1  ILE  52          3HD1      ILE  52 -12.838 -19.347   3.042
  446    H    GLN  53           H        GLN  53 -11.087 -15.030   7.372
  447    HA   GLN  53           HA       GLN  53 -10.335 -15.628   9.956
  448   1HB   GLN  53          1HB       GLN  53  -9.607 -13.786   8.158
  449   2HB   GLN  53          2HB       GLN  53 -10.605 -12.741   9.151
  450   1HG   GLN  53          1HG       GLN  53  -9.170 -13.404  11.117
  451   2HG   GLN  53          2HG       GLN  53  -8.151 -14.331   9.997
  452   1HE2  GLN  53          2HE2      GLN  53  -7.317 -11.281   8.032
  453   2HE2  GLN  53          1HE2      GLN  53  -7.573 -12.998   7.918
  454    H    ARG  54           H        ARG  54 -13.332 -13.895   8.963
  455    HA   ARG  54           HA       ARG  54 -14.284 -14.107  11.753
  456   1HB   ARG  54          1HB       ARG  54 -14.727 -11.708   9.914
  457   2HB   ARG  54          2HB       ARG  54 -15.603 -12.071  11.367
  458   1HG   ARG  54          1HG       ARG  54 -14.134 -10.394  11.969
  459   2HG   ARG  54          2HG       ARG  54 -13.615 -11.865  12.783
  460   1HD   ARG  54          1HD       ARG  54 -11.825 -10.301  11.878
  461   2HD   ARG  54          2HD       ARG  54 -11.639 -12.006  11.478
  462    HE   ARG  54           HE       ARG  54 -12.933 -11.261   9.297
  463   1HH1  ARG  54          2HH2      ARG  54  -9.889 -10.011  10.649
  464   2HH1  ARG  54          1HH2      ARG  54  -9.576  -9.092   9.218
  465   1HH2  ARG  54          2HH1      ARG  54 -12.071 -10.365   7.392
  466   2HH2  ARG  54          1HH1      ARG  54 -10.824  -9.164   7.505
  467    H    GLY  55           H        GLY  55 -14.461 -15.972   9.600
  468   1HA   GLY  55          1HA       GLY  55 -15.966 -17.278   8.534
  469   2HA   GLY  55          2HA       GLY  55 -17.252 -16.464   9.425
  470    H    VAL  56           H        VAL  56 -17.716 -14.180   8.557
  471    HA   VAL  56           HA       VAL  56 -19.300 -13.429   7.131
  472    HB   VAL  56           HB       VAL  56 -16.868 -13.585   5.350
  473   1HG1  VAL  56          1HG1      VAL  56 -19.320 -11.772   5.070
  474   2HG1  VAL  56          2HG1      VAL  56 -17.759 -11.375   4.341
  475   3HG1  VAL  56          3HG1      VAL  56 -18.591 -12.801   3.810
  476   1HG2  VAL  56          3HG2      VAL  56 -16.458 -12.393   7.478
  477   2HG2  VAL  56          1HG2      VAL  56 -16.448 -11.262   6.120
  478   3HG2  VAL  56          2HG2      VAL  56 -17.885 -11.368   7.162
  479    H    SER  57           H        SER  57 -20.101 -13.665   4.691
  480    HA   SER  57           HA       SER  57 -20.884 -16.390   4.059
  481   1HB   SER  57          1HB       SER  57 -21.260 -13.683   3.139
  482   2HB   SER  57          2HB       SER  57 -20.886 -14.753   1.765
  483    HG   SER  57           HG       SER  57 -22.584 -16.136   2.460
  484    HA   PRO  58           HA       PRO  58 -16.472 -16.771   2.579
  485   1HB   PRO  58          1HB       PRO  58 -16.679 -19.213   1.279
  486   2HB   PRO  58          2HB       PRO  58 -16.382 -18.998   3.027
  487   1HG   PRO  58          1HG       PRO  58 -19.020 -19.538   1.655
  488   2HG   PRO  58          2HG       PRO  58 -18.365 -20.310   3.129
  489   1HD   PRO  58          1HD       PRO  58 -20.182 -18.317   3.276
  490   2HD   PRO  58          2HD       PRO  58 -18.829 -18.377   4.445
  491    H    SER  59           H        SER  59 -19.393 -17.414   0.654
  492    HA   SER  59           HA       SER  59 -18.308 -16.787  -1.912
  493   1HB   SER  59          1HB       SER  59 -20.928 -16.644  -2.273
  494   2HB   SER  59          2HB       SER  59 -20.141 -18.187  -1.911
  495    HG   SER  59           HG       SER  59 -21.968 -17.816  -0.554
  496    H    GLN  60           H        GLN  60 -18.520 -14.589   0.583
  497    HA   GLN  60           HA       GLN  60 -19.065 -12.360  -1.308
  498   1HB   GLN  60          1HB       GLN  60 -20.325 -12.544   1.455
  499   2HB   GLN  60          2HB       GLN  60 -20.392 -11.172   0.361
  500   1HG   GLN  60          1HG       GLN  60 -21.560 -12.542  -1.346
  501   2HG   GLN  60          2HG       GLN  60 -21.648 -13.897  -0.222
  502   1HE2  GLN  60          2HE2      GLN  60 -24.321 -12.443   1.661
  503   2HE2  GLN  60          1HE2      GLN  60 -23.146 -13.737   1.653
  504    H    ALA  61           H        ALA  61 -16.592 -13.331  -0.658
  505    HA   ALA  61           HA       ALA  61 -15.425 -12.040   1.572
  506   1HB   ALA  61          2HB       ALA  61 -14.412 -13.945   0.371
  507   2HB   ALA  61          3HB       ALA  61 -14.077 -12.887  -1.023
  508   3HB   ALA  61          1HB       ALA  61 -13.304 -12.577   0.545
  509    H    GLN  62           H        GLN  62 -16.832 -10.436  -0.970
  510    HA   GLN  62           HA       GLN  62 -15.060  -8.166  -1.201
  511   1HB   GLN  62          1HB       GLN  62 -17.903  -8.722  -1.877
  512   2HB   GLN  62          2HB       GLN  62 -17.277  -7.071  -1.950
  513   1HG   GLN  62          1HG       GLN  62 -17.187  -8.355  -4.134
  514   2HG   GLN  62          2HG       GLN  62 -15.676  -7.600  -3.617
  515   1HE2  GLN  62          2HE2      GLN  62 -13.909 -10.652  -3.473
  516   2HE2  GLN  62          1HE2      GLN  62 -13.838  -8.910  -3.376
  517    H    GLY  63           H        GLY  63 -17.339  -9.260   1.258
  518   1HA   GLY  63          1HA       GLY  63 -18.313  -6.692   1.970
  519   2HA   GLY  63          2HA       GLY  63 -18.508  -8.192   2.878
  520    H    LEU  64           H        LEU  64 -15.173  -7.288   2.462
  521    HA   LEU  64           HA       LEU  64 -15.038  -7.154   5.404
  522   1HB   LEU  64          1HB       LEU  64 -12.969  -7.044   3.215
  523   2HB   LEU  64          2HB       LEU  64 -12.547  -7.164   4.920
  524    HG   LEU  64           HG       LEU  64 -13.049  -9.364   5.117
  525   1HD1  LEU  64          1HD1      LEU  64 -14.874  -9.296   2.689
  526   2HD1  LEU  64          2HD1      LEU  64 -14.428 -10.699   3.635
  527   3HD1  LEU  64          3HD1      LEU  64 -15.393  -9.429   4.394
  528   1HD2  LEU  64          2HD2      LEU  64 -11.284  -8.815   3.393
  529   2HD2  LEU  64          3HD2      LEU  64 -12.071 -10.396   3.102
  530   3HD2  LEU  64          1HD2      LEU  64 -12.518  -8.974   2.135
  531    H    GLY  65           H        GLY  65 -15.916  -4.825   3.615
  532   1HA   GLY  65          1HA       GLY  65 -15.859  -2.506   3.632
  533   2HA   GLY  65          2HA       GLY  65 -15.670  -2.745   5.369
  534    H    SER  66           H        SER  66 -13.503  -2.564   6.287
  535    HA   SER  66           HA       SER  66 -11.827  -0.641   4.908
  536   1HB   SER  66          1HB       SER  66 -12.196  -1.748   7.676
  537   2HB   SER  66          2HB       SER  66 -10.546  -1.478   7.219
  538    HG   SER  66           HG       SER  66 -12.610   0.426   7.447
  539    H    ASN  67           H        ASN  67 -11.673  -4.113   5.761
  540    HA   ASN  67           HA       ASN  67  -8.758  -4.150   5.209
  541   1HB   ASN  67          1HB       ASN  67 -10.679  -6.183   6.388
  542   2HB   ASN  67          2HB       ASN  67  -9.017  -6.559   5.919
  543   1HD2  ASN  67          2HD2      ASN  67  -8.567  -5.835   9.408
  544   2HD2  ASN  67          1HD2      ASN  67  -8.996  -7.114   8.258
  545    H    LEU  68           H        LEU  68 -11.616  -4.679   3.389
  546    HA   LEU  68           HA       LEU  68 -11.047  -6.822   1.822
  547   1HB   LEU  68          1HB       LEU  68 -13.004  -5.362   1.445
  548   2HB   LEU  68          2HB       LEU  68 -11.954  -4.092   0.791
  549    HG   LEU  68           HG       LEU  68 -11.256  -5.758  -1.043
  550   1HD1  LEU  68          3HD1      LEU  68 -13.547  -7.336   0.184
  551   2HD1  LEU  68          1HD1      LEU  68 -12.781  -7.696  -1.389
  552   3HD1  LEU  68          2HD1      LEU  68 -11.877  -7.852   0.111
  553   1HD2  LEU  68          1HD2      LEU  68 -14.203  -5.088  -0.927
  554   2HD2  LEU  68          2HD2      LEU  68 -12.892  -4.035  -1.531
  555   3HD2  LEU  68          3HD2      LEU  68 -13.266  -5.551  -2.365
  556    H    VAL  69           H        VAL  69  -9.535  -7.362   0.281
  557    HA   VAL  69           HA       VAL  69  -7.275  -5.499  -0.187
  558    HB   VAL  69           HB       VAL  69  -7.492  -8.504  -0.555
  559   1HG1  VAL  69          3HG1      VAL  69  -5.790  -7.289  -2.050
  560   2HG1  VAL  69          1HG1      VAL  69  -4.962  -6.866  -0.529
  561   3HG1  VAL  69          2HG1      VAL  69  -5.189  -8.561  -0.975
  562   1HG2  VAL  69          1HG2      VAL  69  -6.760  -6.635   1.685
  563   2HG2  VAL  69          2HG2      VAL  69  -7.426  -8.264   1.761
  564   3HG2  VAL  69          3HG2      VAL  69  -5.687  -7.982   1.479
  565    H    THR  70           H        THR  70  -7.435  -4.320  -1.897
  566    HA   THR  70           HA       THR  70  -8.747  -5.309  -4.380
  567    HB   THR  70           HB       THR  70  -8.836  -2.974  -5.035
  568    HG1  THR  70          1HG       THR  70  -8.098  -1.370  -3.835
  569   1HG2  THR  70          3HG2      THR  70 -10.709  -3.912  -3.690
  570   2HG2  THR  70          1HG2      THR  70  -9.972  -3.263  -2.215
  571   3HG2  THR  70          2HG2      THR  70 -10.527  -2.162  -3.491
  572    H    GLU  71           H        GLU  71  -7.496  -4.625  -6.342
  573    HA   GLU  71           HA       GLU  71  -5.046  -5.717  -6.689
  574   1HB   GLU  71          1HB       GLU  71  -6.309  -3.227  -7.924
  575   2HB   GLU  71          2HB       GLU  71  -4.789  -3.875  -8.519
  576   1HG   GLU  71          1HG       GLU  71  -6.988  -5.916  -8.198
  577   2HG   GLU  71          2HG       GLU  71  -7.182  -4.700  -9.490
  578    H    VAL  72           H        VAL  72  -5.494  -2.256  -5.788
  579    HA   VAL  72           HA       VAL  72  -2.734  -1.765  -5.938
  580    HB   VAL  72           HB       VAL  72  -4.734  -0.085  -5.730
  581   1HG1  VAL  72          1HG1      VAL  72  -5.405  -0.739  -3.377
  582   2HG1  VAL  72          2HG1      VAL  72  -3.854  -0.090  -2.798
  583   3HG1  VAL  72          3HG1      VAL  72  -5.022   0.985  -3.558
  584   1HG2  VAL  72          1HG2      VAL  72  -2.352   0.485  -6.132
  585   2HG2  VAL  72          2HG2      VAL  72  -3.166   1.701  -5.132
  586   3HG2  VAL  72          3HG2      VAL  72  -2.071   0.522  -4.383
  587    H    ARG  73           H        ARG  73  -4.491  -3.343  -3.299
  588    HA   ARG  73           HA       ARG  73  -2.592  -2.721  -1.200
  589   1HB   ARG  73          1HB       ARG  73  -4.510  -5.032  -1.666
  590   2HB   ARG  73          2HB       ARG  73  -3.312  -5.079  -0.385
  591   1HG   ARG  73          1HG       ARG  73  -5.324  -4.411   0.550
  592   2HG   ARG  73          2HG       ARG  73  -4.165  -3.070   0.657
  593   1HD   ARG  73          1HD       ARG  73  -5.299  -1.752  -0.810
  594   2HD   ARG  73          2HD       ARG  73  -5.975  -3.127  -1.707
  595    HE   ARG  73           HE       ARG  73  -7.221  -3.354   0.723
  596   1HH1  ARG  73          2HH2      ARG  73  -7.248  -1.093  -1.896
  597   2HH1  ARG  73          1HH2      ARG  73  -8.360   0.046  -1.217
  598   1HH2  ARG  73          2HH1      ARG  73  -9.210  -2.494   1.218
  599   2HH2  ARG  73          1HH1      ARG  73  -9.783  -0.999   0.521
  600    H    VAL  74           H        VAL  74  -2.937  -5.507  -3.499
  601    HA   VAL  74           HA       VAL  74  -0.598  -6.748  -2.499
  602    HB   VAL  74           HB       VAL  74  -2.501  -7.843  -3.724
  603   1HG1  VAL  74          3HG1      VAL  74  -0.934  -7.102  -6.221
  604   2HG1  VAL  74          1HG1      VAL  74  -2.188  -8.342  -6.105
  605   3HG1  VAL  74          2HG1      VAL  74  -2.618  -6.666  -5.817
  606   1HG2  VAL  74          2HG2      VAL  74  -0.473  -9.025  -2.969
  607   2HG2  VAL  74          3HG2      VAL  74  -1.014  -9.655  -4.535
  608   3HG2  VAL  74          1HG2      VAL  74   0.356  -8.533  -4.461
  609    H    TYR  75           H        TYR  75  -1.187  -4.707  -5.357
  610    HA   TYR  75           HA       TYR  75   1.420  -4.658  -6.353
  611   1HB   TYR  75          1HB       TYR  75  -0.874  -3.313  -7.088
  612   2HB   TYR  75          2HB       TYR  75  -0.044  -2.010  -6.298
  613    HD1  TYR  75          2HD       TYR  75   0.705  -4.788  -8.711
  614    HD2  TYR  75          1HD       TYR  75   1.551  -0.729  -7.535
  615    HE1  TYR  75          2HE       TYR  75   2.396  -4.619 -10.505
  616    HE2  TYR  75          1HE       TYR  75   3.204  -0.545  -9.362
  617    HH   TYR  75           HH       TYR  75   4.427  -1.730 -10.982
  618    H    ASN  76           H        ASN  76  -0.001  -2.561  -3.933
  619    HA   ASN  76           HA       ASN  76   2.174  -0.848  -3.393
  620   1HB   ASN  76          1HB       ASN  76  -0.118  -0.350  -2.825
  621   2HB   ASN  76          2HB       ASN  76  -0.183  -1.708  -1.678
  622   1HD2  ASN  76          2HD2      ASN  76   0.027   1.368   0.257
  623   2HD2  ASN  76          1HD2      ASN  76  -1.048   0.706  -0.915
  624    H    TRP  77           H        TRP  77   1.183  -3.961  -1.831
  625    HA   TRP  77           HA       TRP  77   3.246  -3.780   0.181
  626   1HB   TRP  77          1HB       TRP  77   2.163  -5.487   1.089
  627   2HB   TRP  77          2HB       TRP  77   1.062  -5.526  -0.287
  628    HD1  TRP  77           HD       TRP  77   1.360  -7.354  -2.057
  629    HE1  TRP  77          1HE       TRP  77   2.769  -9.456  -2.314
  630    HE3  TRP  77          3HE       TRP  77   4.222  -6.858   2.132
  631    HZ2  TRP  77          2HZ       TRP  77   4.736 -10.852  -0.787
  632    HZ3  TRP  77          3HZ       TRP  77   5.570  -8.789   2.887
  633    HH2  TRP  77           HH       TRP  77   5.979 -10.720   1.384
  634    H    PHE  78           H        PHE  78   3.134  -5.638  -2.973
  635    HA   PHE  78           HA       PHE  78   5.802  -6.586  -2.611
  636   1HB   PHE  78          1HB       PHE  78   4.205  -6.111  -5.147
  637   2HB   PHE  78          2HB       PHE  78   5.815  -6.819  -5.123
  638    HD1  PHE  78          2HD       PHE  78   6.136  -8.839  -3.332
  639    HD2  PHE  78          1HD       PHE  78   2.515  -7.742  -5.409
  640    HE1  PHE  78          2HE       PHE  78   5.370 -11.207  -3.294
  641    HE2  PHE  78          1HE       PHE  78   1.860 -10.137  -5.465
  642    HZ   PHE  78           HZ       PHE  78   3.270 -11.843  -4.379
  643    H    ALA  79           H        ALA  79   4.573  -3.669  -4.277
  644    HA   ALA  79           HA       ALA  79   7.035  -2.521  -5.029
  645   1HB   ALA  79          1HB       ALA  79   4.890  -1.635  -5.771
  646   2HB   ALA  79          2HB       ALA  79   4.509  -1.117  -4.113
  647   3HB   ALA  79          3HB       ALA  79   5.864  -0.380  -4.985
  648    H    ASN  80           H        ASN  80   5.450  -2.751  -1.856
  649    HA   ASN  80           HA       ASN  80   7.168  -0.836  -0.577
  650   1HB   ASN  80          1HB       ASN  80   4.830  -1.614   0.245
  651   2HB   ASN  80          2HB       ASN  80   5.675  -3.002   0.945
  652   1HD2  ASN  80          2HD2      ASN  80   7.561   0.085   2.562
  653   2HD2  ASN  80          1HD2      ASN  80   8.151  -1.112   1.456
  654    H    ARG  81           H        ARG  81   7.051  -4.471  -0.622
  655    HA   ARG  81           HA       ARG  81   9.351  -4.871   1.012
  656   1HB   ARG  81          1HB       ARG  81   7.987  -6.491  -1.157
  657   2HB   ARG  81          2HB       ARG  81   9.536  -7.017  -0.530
  658   1HG   ARG  81          1HG       ARG  81   7.057  -6.564   1.179
  659   2HG   ARG  81          2HG       ARG  81   7.605  -8.123   0.556
  660   1HD   ARG  81          1HD       ARG  81   9.020  -6.377   2.607
  661   2HD   ARG  81          2HD       ARG  81   8.299  -7.965   2.852
  662    HE   ARG  81           HE       ARG  81  10.234  -8.339   0.862
  663   1HH1  ARG  81          2HH2      ARG  81  10.711  -6.840   3.982
  664   2HH1  ARG  81          1HH2      ARG  81  11.799  -8.072   4.580
  665   1HH2  ARG  81          2HH1      ARG  81  12.177  -9.323   1.297
  666   2HH2  ARG  81          1HH1      ARG  81  13.073  -8.857   2.733
  667    H    ARG  82           H        ARG  82   9.057  -4.591  -2.577
  668    HA   ARG  82           HA       ARG  82  11.856  -4.866  -2.945
  669   1HB   ARG  82          1HB       ARG  82  11.538  -4.316  -5.207
  670   2HB   ARG  82          2HB       ARG  82  10.159  -5.273  -4.659
  671   1HG   ARG  82          1HG       ARG  82   9.035  -3.643  -5.833
  672   2HG   ARG  82          2HG       ARG  82   9.085  -2.938  -4.216
  673   1HD   ARG  82          1HD       ARG  82  11.380  -1.857  -5.151
  674   2HD   ARG  82          2HD       ARG  82  10.651  -2.281  -6.704
  675    HE   ARG  82           HE       ARG  82   8.824  -0.778  -5.014
  676   1HH1  ARG  82          2HH2      ARG  82  11.831  -0.436  -6.842
  677   2HH1  ARG  82          1HH2      ARG  82  11.329   1.007  -7.679
  678   1HH2  ARG  82          2HH1      ARG  82   8.178   1.291  -6.134
  679   2HH2  ARG  82          1HH1      ARG  82   9.397   2.179  -6.941
  680    H    LYS  83           H        LYS  83   9.889  -1.896  -2.288
  681    HA   LYS  83           HA       LYS  83  12.273  -0.296  -2.740
  682   1HB   LYS  83          1HB       LYS  83  10.027   0.672  -3.152
  683   2HB   LYS  83          2HB       LYS  83   9.678   0.541  -1.422
  684   1HG   LYS  83          1HG       LYS  83  10.337   2.803  -1.956
  685   2HG   LYS  83          2HG       LYS  83  11.545   2.088  -0.910
  686   1HD   LYS  83          1HD       LYS  83  13.149   1.868  -2.625
  687   2HD   LYS  83          2HD       LYS  83  11.960   2.133  -3.917
  688   1HE   LYS  83          1HE       LYS  83  11.722   4.473  -3.297
  689   2HE   LYS  83          2HE       LYS  83  12.708   4.260  -1.838
  690   1HZ   LYS  83          2HZ       LYS  83  13.877   3.717  -4.480
  691   2HZ   LYS  83          3HZ       LYS  83  13.749   5.259  -3.918
  692   3HZ   LYS  83          1HZ       LYS  83  14.627   4.169  -3.094
  693    H    GLU  84           H        GLU  84  10.755  -1.711   0.078
  694    HA   GLU  84           HA       GLU  84  12.392  -0.626   2.140
  695   1HB   GLU  84          1HB       GLU  84  10.341  -1.955   2.485
  696   2HB   GLU  84          2HB       GLU  84  11.076  -3.326   1.670
  697   1HG   GLU  84          1HG       GLU  84  12.781  -3.348   3.591
  698   2HG   GLU  84          2HG       GLU  84  11.618  -2.275   4.422
  699    H    GLU  85           H        GLU  85  12.769  -3.222  -0.230
  700    HA   GLU  85           HA       GLU  85  15.241  -4.368   0.754
  701   1HB   GLU  85          1HB       GLU  85  13.626  -5.593  -0.734
  702   2HB   GLU  85          2HB       GLU  85  13.918  -4.414  -1.991
  703   1HG   GLU  85          1HG       GLU  85  16.292  -5.186  -2.124
  704   2HG   GLU  85          2HG       GLU  85  15.863  -6.475  -0.982
  705    H    ALA  86           H        ALA  86  14.435  -2.271  -2.032
  706    HA   ALA  86           HA       ALA  86  17.021  -1.637  -2.821
  707   1HB   ALA  86          2HB       ALA  86  14.516   0.074  -2.983
  708   2HB   ALA  86          3HB       ALA  86  15.995   0.327  -3.916
  709   3HB   ALA  86          1HB       ALA  86  15.034  -1.147  -4.167
  710    H    PHE  87           H        PHE  87  14.982   0.009  -0.408
  711    HA   PHE  87           HA       PHE  87  16.566   2.313   0.014
  712   1HB   PHE  87          1HB       PHE  87  14.137   1.860   0.923
  713   2HB   PHE  87          2HB       PHE  87  14.890   0.999   2.245
  714    HD1  PHE  87          2HD       PHE  87  16.413   2.196   3.825
  715    HD2  PHE  87          1HD       PHE  87  14.029   4.209   0.827
  716    HE1  PHE  87          2HE       PHE  87  16.559   4.276   5.098
  717    HE2  PHE  87          1HE       PHE  87  13.982   6.233   2.253
  718    HZ   PHE  87           HZ       PHE  87  15.358   6.316   4.329
  719    H    ARG  88           H        ARG  88  16.286  -0.652   1.988
  720    HA   ARG  88           HA       ARG  88  18.479  -0.218   3.694
  721   1HB   ARG  88          1HB       ARG  88  16.882  -1.837   4.225
  722   2HB   ARG  88          2HB       ARG  88  16.990  -2.652   2.655
  723   1HG   ARG  88          1HG       ARG  88  18.964  -3.745   3.137
  724   2HG   ARG  88          2HG       ARG  88  19.428  -2.610   4.432
  725   1HD   ARG  88          1HD       ARG  88  16.901  -4.259   4.656
  726   2HD   ARG  88          2HD       ARG  88  18.484  -4.936   5.090
  727    HE   ARG  88           HE       ARG  88  18.194  -2.363   6.332
  728   1HH1  ARG  88          2HH2      ARG  88  16.476  -5.400   6.597
  729   2HH1  ARG  88          1HH2      ARG  88  17.002  -5.799   8.206
  730   1HH2  ARG  88          2HH1      ARG  88  18.865  -2.741   8.579
  731   2HH2  ARG  88          1HH1      ARG  88  18.426  -4.256   9.340
  732    H    HIS  89           H        HIS  89  18.338  -1.973   0.602
  733    HA   HIS  89           HA       HIS  89  21.053  -2.813   0.626
  734   1HB   HIS  89          1HB       HIS  89  19.265  -3.910  -0.662
  735   2HB   HIS  89          2HB       HIS  89  19.100  -2.474  -1.683
  736    HD1  HIS  89          1HD       HIS  89  22.503  -4.027  -0.686
  737    HD2  HIS  89          2HD       HIS  89  19.954  -3.391  -3.987
  738    HE1  HIS  89          1HE       HIS  89  23.829  -4.629  -2.743
  739    H    LYS  90           H        LYS  90  19.595   0.267  -0.128
  740    HA   LYS  90           HA       LYS  90  21.847   1.134  -1.781
  741   1HB   LYS  90          1HB       LYS  90  19.538   1.904  -2.239
  742   2HB   LYS  90          2HB       LYS  90  19.483   2.683  -0.662
  743   1HG   LYS  90          1HG       LYS  90  19.809   4.288  -2.391
  744   2HG   LYS  90          2HG       LYS  90  21.231   4.245  -1.392
  745   1HD   LYS  90          1HD       LYS  90  21.825   2.399  -3.497
  746   2HD   LYS  90          2HD       LYS  90  20.833   3.617  -4.263
  747   1HE   LYS  90          1HE       LYS  90  23.177   4.210  -4.513
  748   2HE   LYS  90          2HE       LYS  90  22.402   5.399  -3.481
  749   1HZ   LYS  90          2HZ       LYS  90  24.099   3.161  -2.557
  750   2HZ   LYS  90          3HZ       LYS  90  24.530   4.755  -2.709
  751   3HZ   LYS  90          1HZ       LYS  90  23.430   4.342  -1.587
  752    H    LEU  91           H        LEU  91  21.490   0.641   1.592
  753    HA   LEU  91           HA       LEU  91  23.752   2.195   2.119
  754   1HB   LEU  91          1HB       LEU  91  22.580   3.495   4.024
  755   2HB   LEU  91          2HB       LEU  91  22.397   4.082   2.386
  756    HG   LEU  91           HG       LEU  91  20.234   2.195   2.926
  757   1HD1  LEU  91          3HD1      LEU  91  20.645   2.800   5.306
  758   2HD1  LEU  91          1HD1      LEU  91  20.381   4.498   4.851
  759   3HD1  LEU  91          2HD1      LEU  91  19.066   3.316   4.682
  760   1HD2  LEU  91          3HD2      LEU  91  20.229   4.001   1.206
  761   2HD2  LEU  91          1HD2      LEU  91  18.844   4.103   2.307
  762   3HD2  LEU  91          2HD2      LEU  91  20.217   5.212   2.502
  763    H    ALA  92           H        ALA  92  21.111   1.011   4.220
  764    HA   ALA  92           HA       ALA  92  21.165  -0.240   6.094
  765   1HB   ALA  92          3HB       ALA  92  21.562  -2.002   4.376
  766   2HB   ALA  92          1HB       ALA  92  23.304  -1.841   4.652
  767   3HB   ALA  92          2HB       ALA  92  22.245  -2.410   5.954
  768    H    MET  93           H        MET  93  23.095   2.066   5.970
  769    HA   MET  93           HA       MET  93  24.333   1.538   8.529
  770   1HB   MET  93          1HB       MET  93  25.996   0.550   6.877
  771   2HB   MET  93          2HB       MET  93  26.172   2.146   6.155
  772   1HG   MET  93          1HG       MET  93  27.021   2.998   8.334
  773   2HG   MET  93          2HG       MET  93  26.753   1.405   9.057
  774   1HE   MET  93          3HE       MET  93  29.472   3.061   9.232
  775   2HE   MET  93          1HE       MET  93  29.229   1.465   9.992
  776   3HE   MET  93          2HE       MET  93  30.652   1.758   8.964
  777    H    ASP  94           H        ASP  94  22.310   3.089   8.093
  778    HA   ASP  94           HA       ASP  94  23.133   5.729   8.673
  779   1HB   ASP  94          1HB       ASP  94  23.492   6.319   6.413
  780   2HB   ASP  94          2HB       ASP  94  22.267   5.203   5.817
  781    H    THR  95           H        THR  95  20.432   4.102   6.962
  782    HA   THR  95           HA       THR  95  18.677   4.642   9.296
  783    HB   THR  95           HB       THR  95  16.927   5.047   7.392
  784    HG1  THR  95          1HG       THR  95  19.275   6.004   6.100
  785   1HG2  THR  95          2HG2      THR  95  17.588   6.772   9.045
  786   2HG2  THR  95          3HG2      THR  95  18.979   7.199   8.037
  787   3HG2  THR  95          1HG2      THR  95  17.339   7.459   7.429
  788    H    TYR  96           H        TYR  96  16.852   3.264   9.408
  789    HA   TYR  96           HA       TYR  96  17.542   0.521   8.720
  790   1HB   TYR  96          1HB       TYR  96  16.584   1.241  10.878
  791   2HB   TYR  96          2HB       TYR  96  15.084   1.686  10.068
  792    HD1  TYR  96          1HD       TYR  96  17.425  -1.300  10.219
  793    HD2  TYR  96          2HD       TYR  96  13.387   0.144  10.612
  794    HE1  TYR  96          1HE       TYR  96  16.631  -3.607  10.660
  795    HE2  TYR  96          2HE       TYR  96  12.613  -2.155  11.065
  796    HH   TYR  96           HH       TYR  96  13.222  -4.376  11.280
  797    H    LYS  97           H        LYS  97  15.341  -0.729   7.944
  798    HA   LYS  97           HA       LYS  97  15.144  -0.100   5.208
  799   1HB   LYS  97          1HB       LYS  97  13.741  -2.001   5.077
  800   2HB   LYS  97          2HB       LYS  97  14.989  -2.314   6.268
  801   1HG   LYS  97          1HG       LYS  97  13.218  -1.557   8.055
  802   2HG   LYS  97          2HG       LYS  97  12.045  -1.780   6.742
  803   1HD   LYS  97          1HD       LYS  97  13.032  -4.127   6.468
  804   2HD   LYS  97          2HD       LYS  97  13.972  -3.842   7.934
  805   1HE   LYS  97          1HE       LYS  97  12.035  -5.005   8.687
  806   2HE   LYS  97          2HE       LYS  97  11.717  -3.328   9.123
  807   1HZ   LYS  97          1HZ       LYS  97  10.735  -4.572   6.621
  808   2HZ   LYS  97          2HZ       LYS  97   9.807  -4.469   7.940
  809   3HZ   LYS  97          3HZ       LYS  97  10.312  -3.140   7.171
  810    H    LEU  98           H        LEU  98  12.896   0.582   7.856
  811    HA   LEU  98           HA       LEU  98  11.102   1.838   8.083
  812   1HB   LEU  98          1HB       LEU  98  11.427   4.135   7.753
  813   2HB   LEU  98          2HB       LEU  98  12.869   3.322   8.305
  814    HG   LEU  98           HG       LEU  98  13.401   3.511   5.526
  815   1HD1  LEU  98          2HD1      LEU  98  11.314   5.023   5.309
  816   2HD1  LEU  98          3HD1      LEU  98  12.045   6.103   6.487
  817   3HD1  LEU  98          1HD1      LEU  98  12.845   5.812   4.934
  818   1HD2  LEU  98          1HD2      LEU  98  13.855   5.478   7.865
  819   2HD2  LEU  98          2HD2      LEU  98  14.871   4.080   7.471
  820   3HD2  LEU  98          3HD2      LEU  98  14.796   5.472   6.377
  821    H    ASN  99           H        ASN  99   9.725   0.493   7.020
  822    HA   ASN  99           HA       ASN  99   8.851   0.775   4.333
  823   1HB   ASN  99          2HB       ASN  99   7.321  -0.177   6.798
  824   2HB   ASN  99          3HB       ASN  99   6.787  -0.390   5.121
  825   1HD2  ASN  99          2HD2      ASN  99   8.937  -3.133   4.537
  826   2HD2  ASN  99          1HD2      ASN  99   7.680  -2.077   3.893
   
  No H/Q in entry =         826
  Start of MODEL   14
    1   1H    MET   0          2H        MET   0   5.107   7.275  13.418
    2   2H    MET   0          3H        MET   0   3.891   6.173  13.280
    3   3H    MET   0          1H        MET   0   3.867   7.376  14.461
    4    HA   MET   0           HA       MET   0   5.122   6.356  15.849
    5   1HB   MET   0          2HB       MET   0   5.071   3.996  15.867
    6   2HB   MET   0          3HB       MET   0   3.584   4.510  15.063
    7   1HG   MET   0          2HG       MET   0   4.918   4.137  12.843
    8   2HG   MET   0          3HG       MET   0   6.064   3.261  13.864
    9   1HE   MET   0          1HE       MET   0   5.994   1.014  12.806
   10   2HE   MET   0          2HE       MET   0   4.516   0.208  12.242
   11   3HE   MET   0          3HE       MET   0   5.057   1.722  11.470
   12    H    ALA   1           H        ALA   1   7.231   6.344  16.346
   13    HA   ALA   1           HA       ALA   1   9.305   7.120  16.100
   14   1HB   ALA   1          2HB       ALA   1   9.455   5.443  13.558
   15   2HB   ALA   1          3HB       ALA   1  10.809   6.266  14.341
   16   3HB   ALA   1          1HB       ALA   1   9.965   4.957  15.190
   17    H    ARG   2           H        ARG   2   8.005   9.034  15.909
   18    HA   ARG   2           HA       ARG   2   7.139  10.930  15.011
   19   1HB   ARG   2          1HB       ARG   2   9.288  10.449  12.905
   20   2HB   ARG   2          2HB       ARG   2   8.076  11.686  12.683
   21   1HG   ARG   2          1HG       ARG   2  10.168  12.498  13.595
   22   2HG   ARG   2          2HG       ARG   2   8.762  12.937  14.542
   23   1HD   ARG   2          1HD       ARG   2  10.442  10.499  15.269
   24   2HD   ARG   2          2HD       ARG   2  10.990  12.093  15.732
   25    HE   ARG   2           HE       ARG   2   8.850  10.563  16.942
   26   1HH1  ARG   2          2HH2      ARG   2  10.031  13.870  16.320
   27   2HH1  ARG   2          1HH2      ARG   2   9.301  14.518  17.761
   28   1HH2  ARG   2          2HH1      ARG   2   7.326  11.617  18.364
   29   2HH2  ARG   2          1HH1      ARG   2   7.485  13.296  18.733
   30    H    ILE   3           H        ILE   3   5.788  11.735  13.138
   31    HA   ILE   3           HA       ILE   3   4.754   9.533  11.426
   32    HB   ILE   3           HB       ILE   3   3.038  10.224  13.041
   33   1HG1  ILE   3          1HG1      ILE   3   2.366  11.140  10.212
   34   2HG1  ILE   3          2HG1      ILE   3   2.451   9.457  10.751
   35   1HG2  ILE   3          3HG2      ILE   3   3.808  12.598  13.345
   36   2HG2  ILE   3          1HG2      ILE   3   3.184  12.980  11.731
   37   3HG2  ILE   3          2HG2      ILE   3   2.081  12.460  13.015
   38   1HD1  ILE   3          3HD1      ILE   3   0.676   9.988  12.461
   39   2HD1  ILE   3          1HD1      ILE   3   0.495  11.586  11.706
   40   3HD1  ILE   3          2HD1      ILE   3   0.151  10.129  10.770
   41    H    ASP   4           H        ASP   4   6.264  12.622  11.793
   42    HA   ASP   4           HA       ASP   4   5.367  13.999   9.762
   43   1HB   ASP   4          1HB       ASP   4   8.213  14.236  10.736
   44   2HB   ASP   4          2HB       ASP   4   7.190  15.484  10.032
   45    HA   PRO   5           HA       PRO   5   8.740  12.871   6.628
   46   1HB   PRO   5          1HB       PRO   5   9.894  10.360   6.713
   47   2HB   PRO   5          2HB       PRO   5  10.561  11.823   7.478
   48   1HG   PRO   5          1HG       PRO   5   9.024   9.588   8.774
   49   2HG   PRO   5          2HG       PRO   5  10.401  10.512   9.425
   50   1HD   PRO   5          1HD       PRO   5   7.742  10.975  10.059
   51   2HD   PRO   5          2HD       PRO   5   8.961  12.282  10.136
   52    H    THR   6           H        THR   6   7.301   9.751   7.593
   53    HA   THR   6           HA       THR   6   6.402   8.900   5.054
   54    HB   THR   6           HB       THR   6   4.813   7.569   6.695
   55    HG1  THR   6          1HG       THR   6   5.422   7.775   8.842
   56   1HG2  THR   6          2HG2      THR   6   7.851   7.414   6.999
   57   2HG2  THR   6          3HG2      THR   6   6.695   6.150   7.468
   58   3HG2  THR   6          1HG2      THR   6   6.875   6.589   5.764
   59    H    LYS   7           H        LYS   7   4.871  10.715   7.659
   60    HA   LYS   7           HA       LYS   7   2.828  11.583   7.976
   61   1HB   LYS   7          1HB       LYS   7   1.992  13.199   6.227
   62   2HB   LYS   7          2HB       LYS   7   3.551  13.473   7.007
   63   1HG   LYS   7          1HG       LYS   7   4.680  12.463   4.994
   64   2HG   LYS   7          2HG       LYS   7   3.127  12.470   4.170
   65   1HD   LYS   7          1HD       LYS   7   3.238  14.735   3.829
   66   2HD   LYS   7          2HD       LYS   7   3.877  15.087   5.436
   67   1HE   LYS   7          1HE       LYS   7   5.560  13.762   3.261
   68   2HE   LYS   7          2HE       LYS   7   5.464  15.514   3.462
   69   1HZ   LYS   7          2HZ       LYS   7   6.290  13.754   5.692
   70   2HZ   LYS   7          3HZ       LYS   7   7.341  14.286   4.573
   71   3HZ   LYS   7          1HZ       LYS   7   6.567  15.368   5.500
   72    H    LYS   8           H        LYS   8   2.325   9.416   8.125
   73    HA   LYS   8           HA       LYS   8   1.299   7.469   7.734
   74   1HB   LYS   8          1HB       LYS   8  -1.058   7.472   6.997
   75   2HB   LYS   8          2HB       LYS   8  -0.709   8.640   8.254
   76   1HG   LYS   8          1HG       LYS   8  -0.790  10.486   6.815
   77   2HG   LYS   8          2HG       LYS   8  -0.759   9.498   5.347
   78   1HD   LYS   8          1HD       LYS   8  -3.063   9.184   7.282
   79   2HD   LYS   8          2HD       LYS   8  -2.927  10.634   6.290
   80   1HE   LYS   8          1HE       LYS   8  -2.680   9.096   4.237
   81   2HE   LYS   8          2HE       LYS   8  -3.245   7.780   5.291
   82   1HZ   LYS   8          3HZ       LYS   8  -4.657  10.319   4.770
   83   2HZ   LYS   8          1HZ       LYS   8  -5.032   8.931   4.020
   84   3HZ   LYS   8          2HZ       LYS   8  -5.260   9.076   5.658
   85    H    GLY   9           H        GLY   9  -0.434   7.055   5.243
   86   1HA   GLY   9          1HA       GLY   9   1.378   7.264   3.007
   87   2HA   GLY   9          2HA       GLY   9   1.292   5.607   3.651
   88    H    ARG  10           H        ARG  10  -0.986   4.786   4.056
   89    HA   ARG  10           HA       ARG  10  -3.196   6.292   2.953
   90   1HB   ARG  10          1HB       ARG  10  -3.964   4.211   1.560
   91   2HB   ARG  10          2HB       ARG  10  -3.028   5.510   0.860
   92   1HG   ARG  10          1HG       ARG  10  -1.420   3.217   1.913
   93   2HG   ARG  10          2HG       ARG  10  -2.469   2.870   0.545
   94   1HD   ARG  10          1HD       ARG  10  -1.560   4.531  -0.857
   95   2HD   ARG  10          2HD       ARG  10  -0.638   5.308   0.407
   96    HE   ARG  10           HE       ARG  10   0.237   3.210  -1.282
   97   1HH1  ARG  10          2HH2      ARG  10   0.367   4.140   2.060
   98   2HH1  ARG  10          1HH2      ARG  10   1.972   3.541   2.378
   99   1HH2  ARG  10          2HH1      ARG  10   2.349   2.518  -1.040
  100   2HH2  ARG  10          1HH1      ARG  10   3.250   2.763   0.422
  101    H    ARG  11           H        ARG  11  -2.011   3.332   4.579
  102    HA   ARG  11           HA       ARG  11  -4.549   2.288   4.997
  103   1HB   ARG  11          1HB       ARG  11  -2.276   1.141   5.375
  104   2HB   ARG  11          2HB       ARG  11  -2.282   1.927   6.960
  105   1HG   ARG  11          1HG       ARG  11  -4.692   0.786   7.178
  106   2HG   ARG  11          2HG       ARG  11  -4.178  -0.145   5.783
  107   1HD   ARG  11          1HD       ARG  11  -3.756  -1.351   7.881
  108   2HD   ARG  11          2HD       ARG  11  -2.238  -0.946   7.075
  109    HE   ARG  11           HE       ARG  11  -1.601   0.202   8.929
  110   1HH1  ARG  11          2HH2      ARG  11  -5.143  -0.270   9.167
  111   2HH1  ARG  11          1HH2      ARG  11  -5.264   0.811  10.559
  112   1HH2  ARG  11          2HH1      ARG  11  -1.890   1.675  10.721
  113   2HH2  ARG  11          1HH1      ARG  11  -3.439   1.854  11.479
  114    H    ASN  12           H        ASN  12  -5.971   2.362   6.670
  115    HA   ASN  12           HA       ASN  12  -5.353   3.181   9.275
  116   1HB   ASN  12          1HB       ASN  12  -5.756   5.519   8.215
  117   2HB   ASN  12          2HB       ASN  12  -7.455   5.053   8.109
  118   1HD2  ASN  12          2HD2      ASN  12  -7.981   5.245  11.670
  119   2HD2  ASN  12          1HD2      ASN  12  -8.610   4.642  10.150
  120    H    ARG  13           H        ARG  13  -7.715   2.449   6.829
  121    HA   ARG  13           HA       ARG  13  -9.831   1.756   8.770
  122   1HB   ARG  13          1HB       ARG  13 -11.307   1.714   6.906
  123   2HB   ARG  13          2HB       ARG  13 -10.328   3.167   6.885
  124   1HG   ARG  13          1HG       ARG  13  -8.846   1.780   5.127
  125   2HG   ARG  13          2HG       ARG  13 -10.355   0.861   4.954
  126   1HD   ARG  13          1HD       ARG  13  -9.750   3.787   4.464
  127   2HD   ARG  13          2HD       ARG  13 -10.348   2.600   3.293
  128    HE   ARG  13           HE       ARG  13 -12.493   2.559   4.719
  129   1HH1  ARG  13          2HH2      ARG  13 -10.677   5.463   3.845
  130   2HH1  ARG  13          1HH2      ARG  13 -11.859   6.568   4.482
  131   1HH2  ARG  13          2HH1      ARG  13 -14.090   3.910   5.282
  132   2HH2  ARG  13          1HH1      ARG  13 -14.013   5.652   5.129
  133    H    PHE  14           H        PHE  14  -8.062   0.353   6.112
  134    HA   PHE  14           HA       PHE  14  -8.704  -2.399   6.504
  135   1HB   PHE  14          1HB       PHE  14  -8.136  -1.444   4.348
  136   2HB   PHE  14          2HB       PHE  14  -6.612  -0.806   4.957
  137    HD1  PHE  14          1HD       PHE  14  -4.664  -2.322   5.406
  138    HD2  PHE  14          2HD       PHE  14  -8.361  -3.773   3.716
  139    HE1  PHE  14          1HE       PHE  14  -3.455  -4.180   4.336
  140    HE2  PHE  14          2HE       PHE  14  -7.165  -5.721   2.801
  141    HZ   PHE  14           HZ       PHE  14  -4.675  -5.691   2.749
  142    H    LYS  15           H        LYS  15  -7.240  -4.076   7.124
  143    HA   LYS  15           HA       LYS  15  -4.638  -3.632   8.247
  144   1HB   LYS  15          1HB       LYS  15  -5.289  -4.697  10.456
  145   2HB   LYS  15          2HB       LYS  15  -5.734  -3.009  10.192
  146   1HG   LYS  15          1HG       LYS  15  -7.922  -4.825   9.396
  147   2HG   LYS  15          2HG       LYS  15  -7.452  -5.049  11.075
  148   1HD   LYS  15          1HD       LYS  15  -7.831  -2.757  11.625
  149   2HD   LYS  15          2HD       LYS  15  -7.920  -2.271   9.928
  150   1HE   LYS  15          1HE       LYS  15  -9.996  -3.599   9.623
  151   2HE   LYS  15          2HE       LYS  15  -9.943  -4.068  11.331
  152   1HZ   LYS  15          1HZ       LYS  15 -10.143  -1.285  10.338
  153   2HZ   LYS  15          2HZ       LYS  15 -11.408  -2.196  10.892
  154   3HZ   LYS  15          3HZ       LYS  15 -10.190  -1.775  11.918
  155    H    TRP  16           H        TRP  16  -3.616  -5.292   7.174
  156    HA   TRP  16           HA       TRP  16  -4.885  -7.697   6.260
  157   1HB   TRP  16          1HB       TRP  16  -1.973  -7.366   7.063
  158   2HB   TRP  16          2HB       TRP  16  -2.654  -8.529   5.948
  159    HD1  TRP  16           HD       TRP  16  -0.987  -5.255   6.176
  160    HE1  TRP  16          1HE       TRP  16  -0.266  -4.505   3.854
  161    HE3  TRP  16          3HE       TRP  16  -3.808  -8.468   3.393
  162    HZ2  TRP  16          2HZ       TRP  16  -0.797  -5.249   1.111
  163    HZ3  TRP  16          3HZ       TRP  16  -3.207  -8.807   0.989
  164    HH2  TRP  16           HH       TRP  16  -1.968  -7.004  -0.199
  165    H    GLY  17           H        GLY  17  -5.383  -9.620   7.520
  166   1HA   GLY  17          1HA       GLY  17  -4.664  -9.647  10.355
  167   2HA   GLY  17          2HA       GLY  17  -5.565 -10.844   9.435
  168    HA   PRO  18           HA       PRO  18  -1.182 -12.313  10.356
  169   1HB   PRO  18          1HB       PRO  18  -1.800 -14.710  11.526
  170   2HB   PRO  18          2HB       PRO  18  -1.671 -13.163  12.393
  171   1HG   PRO  18          1HG       PRO  18  -4.194 -14.492  11.397
  172   2HG   PRO  18          2HG       PRO  18  -3.872 -13.748  12.990
  173   1HD   PRO  18          1HD       PRO  18  -5.198 -12.401  11.047
  174   2HD   PRO  18          2HD       PRO  18  -4.026 -11.554  12.101
  175    H    ALA  19           H        ALA  19  -3.854 -14.264   9.261
  176    HA   ALA  19           HA       ALA  19  -2.298 -16.110   7.708
  177   1HB   ALA  19          3HB       ALA  19  -5.254 -15.398   7.602
  178   2HB   ALA  19          1HB       ALA  19  -4.497 -16.693   6.656
  179   3HB   ALA  19          2HB       ALA  19  -4.489 -16.768   8.426
  180    H    SER  20           H        SER  20  -4.329 -13.310   6.685
  181    HA   SER  20           HA       SER  20  -3.640 -13.179   4.094
  182   1HB   SER  20          1HB       SER  20  -5.164 -11.614   5.346
  183   2HB   SER  20          2HB       SER  20  -3.748 -10.684   5.834
  184    HG   SER  20           HG       SER  20  -3.358 -10.483   3.504
  185    H    GLN  21           H        GLN  21  -1.492 -11.819   6.714
  186    HA   GLN  21           HA       GLN  21   0.497 -10.940   4.755
  187   1HB   GLN  21          1HB       GLN  21   0.915 -11.631   7.681
  188   2HB   GLN  21          2HB       GLN  21   2.076 -10.832   6.618
  189   1HG   GLN  21          1HG       GLN  21  -0.591  -9.681   7.477
  190   2HG   GLN  21          2HG       GLN  21   1.000  -9.266   8.143
  191   1HE2  GLN  21          2HE2      GLN  21   0.055  -7.834   4.415
  192   2HE2  GLN  21          1HE2      GLN  21  -0.637  -9.365   4.914
  193    H    GLN  22           H        GLN  22   0.095 -13.954   6.654
  194    HA   GLN  22           HA       GLN  22   2.450 -15.246   5.783
  195   1HB   GLN  22          1HB       GLN  22   0.911 -16.072   7.505
  196   2HB   GLN  22          2HB       GLN  22  -0.294 -16.498   6.288
  197   1HG   GLN  22          1HG       GLN  22   0.994 -18.224   5.372
  198   2HG   GLN  22          2HG       GLN  22   2.492 -17.592   6.071
  199   1HE2  GLN  22          2HE2      GLN  22   0.721 -20.453   8.144
  200   2HE2  GLN  22          1HE2      GLN  22   0.266 -20.109   6.490
  201    H    ILE  23           H        ILE  23  -0.724 -15.013   4.159
  202    HA   ILE  23           HA       ILE  23   0.074 -16.413   1.823
  203    HB   ILE  23           HB       ILE  23  -2.230 -14.670   2.625
  204   1HG1  ILE  23          1HG1      ILE  23  -1.952 -17.448   1.401
  205   2HG1  ILE  23          2HG1      ILE  23  -1.930 -17.120   3.150
  206   1HG2  ILE  23          1HG2      ILE  23  -1.769 -15.551  -0.257
  207   2HG2  ILE  23          2HG2      ILE  23  -3.251 -14.812   0.401
  208   3HG2  ILE  23          3HG2      ILE  23  -1.767 -13.887   0.362
  209   1HD1  ILE  23          2HD1      ILE  23  -4.207 -16.244   2.994
  210   2HD1  ILE  23          3HD1      ILE  23  -4.222 -16.609   1.241
  211   3HD1  ILE  23          1HD1      ILE  23  -4.075 -17.927   2.412
  212    H    LEU  24           H        LEU  24   0.185 -12.854   2.486
  213    HA   LEU  24           HA       LEU  24   1.193 -12.183  -0.103
  214   1HB   LEU  24          1HB       LEU  24   1.551 -11.021   2.666
  215   2HB   LEU  24          2HB       LEU  24   2.549 -10.438   1.342
  216    HG   LEU  24           HG       LEU  24  -0.459 -10.471   1.088
  217   1HD1  LEU  24          1HD1      LEU  24   1.251  -8.790   2.772
  218   2HD1  LEU  24          2HD1      LEU  24   0.466  -7.827   1.521
  219   3HD1  LEU  24          3HD1      LEU  24  -0.514  -8.839   2.606
  220   1HD2  LEU  24          2HD2      LEU  24   0.955 -10.250  -0.974
  221   2HD2  LEU  24          3HD2      LEU  24   0.021  -8.781  -0.641
  222   3HD2  LEU  24          1HD2      LEU  24   1.752  -8.844  -0.269
  223    H    PHE  25           H        PHE  25   2.965 -13.292   2.812
  224    HA   PHE  25           HA       PHE  25   5.517 -13.295   1.517
  225   1HB   PHE  25          1HB       PHE  25   4.501 -14.876   3.886
  226   2HB   PHE  25          2HB       PHE  25   6.140 -14.955   3.276
  227    HD1  PHE  25          1HD       PHE  25   7.681 -13.022   3.400
  228    HD2  PHE  25          2HD       PHE  25   3.875 -13.029   5.342
  229    HE1  PHE  25          1HE       PHE  25   8.396 -11.153   4.856
  230    HE2  PHE  25          2HE       PHE  25   4.498 -11.028   6.641
  231    HZ   PHE  25           HZ       PHE  25   6.771 -10.044   6.365
  232    H    GLN  26           H        GLN  26   2.943 -15.830   1.664
  233    HA   GLN  26           HA       GLN  26   4.550 -17.809   0.403
  234   1HB   GLN  26          1HB       GLN  26   2.792 -19.204   0.535
  235   2HB   GLN  26          2HB       GLN  26   2.218 -17.948   1.623
  236   1HG   GLN  26          1HG       GLN  26   0.836 -17.061  -0.327
  237   2HG   GLN  26          2HG       GLN  26   1.393 -18.475  -1.219
  238   1HE2  GLN  26          2HE2      GLN  26  -1.551 -20.051   0.097
  239   2HE2  GLN  26          1HE2      GLN  26  -0.799 -19.380  -1.345
  240    H    ALA  27           H        ALA  27   2.445 -15.250  -0.943
  241    HA   ALA  27           HA       ALA  27   2.738 -15.884  -3.700
  242   1HB   ALA  27          3HB       ALA  27   1.125 -14.279  -2.910
  243   2HB   ALA  27          1HB       ALA  27   2.425 -13.165  -2.422
  244   3HB   ALA  27          2HB       ALA  27   2.202 -13.580  -4.134
  245    H    TYR  28           H        TYR  28   4.708 -13.838  -1.493
  246    HA   TYR  28           HA       TYR  28   6.678 -13.212  -3.430
  247   1HB   TYR  28          1HB       TYR  28   6.249 -12.622  -0.693
  248   2HB   TYR  28          2HB       TYR  28   7.805 -13.429  -0.724
  249    HD1  TYR  28          2HD       TYR  28   5.913 -10.994  -2.830
  250    HD2  TYR  28          1HD       TYR  28   9.648 -11.892  -0.913
  251    HE1  TYR  28          2HE       TYR  28   6.825  -8.806  -3.578
  252    HE2  TYR  28          1HE       TYR  28  10.612  -9.809  -1.811
  253    HH   TYR  28           HH       TYR  28  10.251  -7.980  -3.220
  254    H    GLU  29           H        GLU  29   6.176 -16.201  -1.689
  255    HA   GLU  29           HA       GLU  29   8.855 -17.196  -2.267
  256   1HB   GLU  29          1HB       GLU  29   8.324 -18.800  -0.892
  257   2HB   GLU  29          2HB       GLU  29   6.752 -18.072  -0.621
  258   1HG   GLU  29          1HG       GLU  29   5.740 -19.484  -2.344
  259   2HG   GLU  29          2HG       GLU  29   7.330 -20.117  -2.818
  260    H    ARG  30           H        ARG  30   5.571 -17.611  -3.703
  261    HA   ARG  30           HA       ARG  30   6.648 -19.356  -5.678
  262   1HB   ARG  30          1HB       ARG  30   4.478 -19.212  -6.843
  263   2HB   ARG  30          2HB       ARG  30   4.380 -19.704  -5.153
  264   1HG   ARG  30          1HG       ARG  30   3.368 -17.759  -4.466
  265   2HG   ARG  30          2HG       ARG  30   3.977 -16.795  -5.823
  266   1HD   ARG  30          1HD       ARG  30   1.693 -16.973  -6.195
  267   2HD   ARG  30          2HD       ARG  30   2.485 -18.032  -7.378
  268    HE   ARG  30           HE       ARG  30   1.745 -19.553  -5.025
  269   1HH1  ARG  30          2HH2      ARG  30   0.259 -17.916  -7.777
  270   2HH1  ARG  30          1HH2      ARG  30  -1.166 -18.907  -7.798
  271   1HH2  ARG  30          2HH1      ARG  30  -0.033 -20.785  -4.953
  272   2HH2  ARG  30          1HH1      ARG  30  -1.371 -20.654  -6.086
  273    H    GLN  31           H        GLN  31   5.930 -15.867  -5.776
  274    HA   GLN  31           HA       GLN  31   7.513 -15.616  -8.233
  275   1HB   GLN  31          1HB       GLN  31   4.737 -15.870  -8.429
  276   2HB   GLN  31          2HB       GLN  31   4.966 -14.118  -8.468
  277   1HG   GLN  31          1HG       GLN  31   6.565 -14.383 -10.347
  278   2HG   GLN  31          2HG       GLN  31   6.510 -16.138 -10.163
  279   1HE2  GLN  31          2HE2      GLN  31   2.859 -14.963 -11.438
  280   2HE2  GLN  31          1HE2      GLN  31   3.468 -14.158 -10.012
  281    H    LYS  32           H        LYS  32   8.963 -14.783  -6.767
  282    HA   LYS  32           HA       LYS  32   8.449 -12.803  -4.871
  283   1HB   LYS  32          1HB       LYS  32  10.379 -14.427  -5.129
  284   2HB   LYS  32          2HB       LYS  32  11.071 -13.367  -6.361
  285   1HG   LYS  32          1HG       LYS  32  11.726 -11.765  -4.780
  286   2HG   LYS  32          2HG       LYS  32  10.371 -12.148  -3.710
  287   1HD   LYS  32          1HD       LYS  32  12.416 -12.895  -2.669
  288   2HD   LYS  32          2HD       LYS  32  11.353 -14.244  -3.041
  289   1HE   LYS  32          1HE       LYS  32  12.757 -14.716  -5.110
  290   2HE   LYS  32          2HE       LYS  32  13.839 -13.396  -4.629
  291   1HZ   LYS  32          3HZ       LYS  32  13.320 -15.843  -3.062
  292   2HZ   LYS  32          1HZ       LYS  32  14.655 -15.557  -3.984
  293   3HZ   LYS  32          2HZ       LYS  32  14.367 -14.654  -2.642
  294    H    ASN  33           H        ASN  33   8.904 -12.512  -8.304
  295    HA   ASN  33           HA       ASN  33   8.273  -9.632  -8.035
  296   1HB   ASN  33          1HB       ASN  33  10.126 -10.917 -10.012
  297   2HB   ASN  33          2HB       ASN  33   9.105  -9.569 -10.515
  298   1HD2  ASN  33          2HD2      ASN  33  11.632  -8.584  -7.400
  299   2HD2  ASN  33          1HD2      ASN  33  10.535  -9.935  -7.237
  300    HA   PRO  34           HA       PRO  34   4.859 -11.848  -9.267
  301   1HB   PRO  34          1HB       PRO  34   2.891  -9.943  -9.469
  302   2HB   PRO  34          2HB       PRO  34   3.752 -10.288  -7.949
  303   1HG   PRO  34          1HG       PRO  34   4.341  -8.072  -9.937
  304   2HG   PRO  34          2HG       PRO  34   4.232  -7.962  -8.150
  305   1HD   PRO  34          1HD       PRO  34   6.629  -8.198  -9.459
  306   2HD   PRO  34          2HD       PRO  34   6.309  -8.884  -7.843
  307    H    SER  35           H        SER  35   3.210 -12.305 -10.944
  308    HA   SER  35           HA       SER  35   3.881 -11.148 -13.664
  309   1HB   SER  35          1HB       SER  35   4.102 -13.580 -13.579
  310   2HB   SER  35          2HB       SER  35   2.446 -13.737 -12.969
  311    HG   SER  35           HG       SER  35   2.577 -13.995 -15.260
  312    H    LYS  36           H        LYS  36   0.817 -12.603 -13.390
  313    HA   LYS  36           HA       LYS  36  -0.558 -10.151 -12.423
  314   1HB   LYS  36          1HB       LYS  36  -0.441  -9.981 -14.897
  315   2HB   LYS  36          2HB       LYS  36  -1.172 -11.588 -15.045
  316   1HG   LYS  36          1HG       LYS  36  -3.162 -10.734 -13.707
  317   2HG   LYS  36          2HG       LYS  36  -2.430  -9.122 -13.760
  318   1HD   LYS  36          1HD       LYS  36  -2.756  -9.006 -16.155
  319   2HD   LYS  36          2HD       LYS  36  -3.063 -10.741 -16.276
  320   1HE   LYS  36          1HE       LYS  36  -5.177  -9.307 -16.372
  321   2HE   LYS  36          2HE       LYS  36  -5.182 -10.576 -15.139
  322   1HZ   LYS  36          3HZ       LYS  36  -4.595  -8.966 -13.492
  323   2HZ   LYS  36          1HZ       LYS  36  -4.590  -7.727 -14.584
  324   3HZ   LYS  36          2HZ       LYS  36  -5.969  -8.569 -14.139
  325    H    GLU  37           H        GLU  37  -1.201 -13.452 -13.781
  326    HA   GLU  37           HA       GLU  37  -3.581 -14.094 -12.727
  327   1HB   GLU  37          1HB       GLU  37  -1.077 -15.343 -13.755
  328   2HB   GLU  37          2HB       GLU  37  -1.789 -16.332 -12.540
  329   1HG   GLU  37          1HG       GLU  37  -3.848 -16.557 -13.763
  330   2HG   GLU  37          2HG       GLU  37  -3.312 -15.344 -14.957
  331    H    GLU  38           H        GLU  38  -0.507 -14.972 -11.330
  332    HA   GLU  38           HA       GLU  38  -0.945 -15.822  -8.774
  333   1HB   GLU  38          1HB       GLU  38   1.272 -15.783  -9.678
  334   2HB   GLU  38          2HB       GLU  38   1.091 -14.124 -10.150
  335   1HG   GLU  38          1HG       GLU  38   1.037 -14.496  -7.182
  336   2HG   GLU  38          2HG       GLU  38   2.537 -14.981  -7.973
  337    H    ARG  39           H        ARG  39  -0.871 -12.358  -9.802
  338    HA   ARG  39           HA       ARG  39  -1.144 -11.532  -7.074
  339   1HB   ARG  39          1HB       ARG  39   0.177 -10.229  -8.604
  340   2HB   ARG  39          2HB       ARG  39  -1.202  -9.925  -9.673
  341   1HG   ARG  39          1HG       ARG  39  -2.154  -8.348  -8.262
  342   2HG   ARG  39          2HG       ARG  39  -1.554  -9.154  -6.808
  343   1HD   ARG  39          1HD       ARG  39  -0.417  -7.052  -7.011
  344   2HD   ARG  39          2HD       ARG  39   0.714  -8.413  -7.231
  345    HE   ARG  39           HE       ARG  39  -0.312  -7.422  -9.764
  346   1HH1  ARG  39          2HH2      ARG  39   2.095  -6.906  -7.245
  347   2HH1  ARG  39          1HH2      ARG  39   3.127  -5.863  -8.181
  348   1HH2  ARG  39          2HH1      ARG  39   1.039  -5.956 -11.070
  349   2HH2  ARG  39          1HH1      ARG  39   2.659  -5.638 -10.501
  350    H    GLU  40           H        GLU  40  -3.317 -11.570  -9.930
  351    HA   GLU  40           HA       GLU  40  -5.640 -10.500  -8.782
  352   1HB   GLU  40          1HB       GLU  40  -4.937 -12.004 -11.133
  353   2HB   GLU  40          2HB       GLU  40  -6.323 -12.794 -10.399
  354   1HG   GLU  40          1HG       GLU  40  -7.384 -11.334 -11.760
  355   2HG   GLU  40          2HG       GLU  40  -7.360 -10.367 -10.292
  356    H    THR  41           H        THR  41  -4.559 -13.866  -8.928
  357    HA   THR  41           HA       THR  41  -6.302 -15.183  -7.229
  358    HB   THR  41           HB       THR  41  -3.435 -15.462  -8.005
  359    HG1  THR  41          1HG       THR  41  -4.993 -16.211  -9.380
  360   1HG2  THR  41          3HG2      THR  41  -4.651 -17.136  -5.821
  361   2HG2  THR  41          1HG2      THR  41  -3.241 -17.623  -6.802
  362   3HG2  THR  41          2HG2      THR  41  -3.141 -16.198  -5.777
  363    H    LEU  42           H        LEU  42  -3.209 -13.505  -6.328
  364    HA   LEU  42           HA       LEU  42  -3.268 -14.261  -3.640
  365   1HB   LEU  42          1HB       LEU  42  -1.228 -13.487  -4.525
  366   2HB   LEU  42          2HB       LEU  42  -1.998 -12.057  -5.219
  367    HG   LEU  42           HG       LEU  42  -2.294 -11.019  -3.104
  368   1HD1  LEU  42          3HD1      LEU  42  -0.754 -13.391  -1.931
  369   2HD1  LEU  42          1HD1      LEU  42  -1.173 -11.895  -1.071
  370   3HD1  LEU  42          2HD1      LEU  42  -2.446 -13.002  -1.605
  371   1HD2  LEU  42          3HD2      LEU  42  -0.173 -10.856  -4.532
  372   2HD2  LEU  42          1HD2      LEU  42  -0.081 -10.355  -2.831
  373   3HD2  LEU  42          2HD2      LEU  42   0.587 -11.913  -3.339
  374    H    VAL  43           H        VAL  43  -4.563 -11.276  -5.208
  375    HA   VAL  43           HA       VAL  43  -5.539 -10.073  -2.816
  376    HB   VAL  43           HB       VAL  43  -6.715 -10.004  -5.633
  377   1HG1  VAL  43          1HG1      VAL  43  -7.200  -8.255  -3.173
  378   2HG1  VAL  43          2HG1      VAL  43  -7.794  -7.892  -4.807
  379   3HG1  VAL  43          3HG1      VAL  43  -8.402  -9.307  -3.942
  380   1HG2  VAL  43          2HG2      VAL  43  -4.354  -9.111  -5.406
  381   2HG2  VAL  43          3HG2      VAL  43  -5.579  -7.939  -5.889
  382   3HG2  VAL  43          1HG2      VAL  43  -4.979  -7.950  -4.214
  383    H    GLU  44           H        GLU  44  -7.026 -12.450  -5.022
  384    HA   GLU  44           HA       GLU  44  -9.529 -12.667  -3.778
  385   1HB   GLU  44          1HB       GLU  44  -8.106 -13.926  -5.918
  386   2HB   GLU  44          2HB       GLU  44  -8.530 -15.218  -4.820
  387   1HG   GLU  44          1HG       GLU  44 -10.372 -13.292  -6.262
  388   2HG   GLU  44          2HG       GLU  44 -10.237 -15.041  -6.434
  389    H    GLU  45           H        GLU  45  -6.687 -14.720  -3.378
  390    HA   GLU  45           HA       GLU  45  -7.786 -16.422  -1.469
  391   1HB   GLU  45          1HB       GLU  45  -5.698 -16.573  -3.089
  392   2HB   GLU  45          2HB       GLU  45  -4.795 -15.862  -1.748
  393   1HG   GLU  45          1HG       GLU  45  -4.632 -18.341  -1.875
  394   2HG   GLU  45          2HG       GLU  45  -5.387 -17.828  -0.366
  395    H    CYS  46           H        CYS  46  -5.848 -13.484  -1.156
  396    HA   CYS  46           HA       CYS  46  -5.523 -13.482   1.706
  397   1HB   CYS  46          1HB       CYS  46  -5.383 -11.380  -0.463
  398   2HB   CYS  46          2HB       CYS  46  -5.658 -10.841   1.197
  399    HG   CYS  46           HG       CYS  46  -3.716 -12.116   2.279
  400    H    ASN  47           H        ASN  47  -7.963 -11.966  -0.448
  401    HA   ASN  47           HA       ASN  47  -9.646 -10.885   1.544
  402   1HB   ASN  47          1HB       ASN  47 -10.006 -11.707  -1.342
  403   2HB   ASN  47          2HB       ASN  47 -11.467 -11.606  -0.395
  404   1HD2  ASN  47          2HD2      ASN  47 -10.405  -8.283  -2.017
  405   2HD2  ASN  47          1HD2      ASN  47 -10.639  -9.908  -2.671
  406    H    ARG  48           H        ARG  48  -9.807 -14.139   0.006
  407    HA   ARG  48           HA       ARG  48 -12.070 -14.928   1.462
  408   1HB   ARG  48          1HB       ARG  48 -10.379 -15.995  -0.552
  409   2HB   ARG  48          2HB       ARG  48 -10.382 -17.173   0.748
  410   1HG   ARG  48          1HG       ARG  48 -12.911 -17.110   0.749
  411   2HG   ARG  48          2HG       ARG  48 -12.853 -15.917  -0.557
  412   1HD   ARG  48          1HD       ARG  48 -11.933 -18.810  -0.677
  413   2HD   ARG  48          2HD       ARG  48 -13.304 -18.079  -1.521
  414    HE   ARG  48           HE       ARG  48 -11.748 -16.696  -2.858
  415   1HH1  ARG  48          2HH2      ARG  48 -10.073 -19.350  -1.074
  416   2HH1  ARG  48          1HH2      ARG  48  -8.796 -19.319  -2.236
  417   1HH2  ARG  48          2HH1      ARG  48  -9.973 -16.649  -4.079
  418   2HH2  ARG  48          1HH1      ARG  48  -8.585 -17.742  -3.730
  419    H    ALA  49           H        ALA  49  -8.575 -15.568   2.141
  420    HA   ALA  49           HA       ALA  49  -8.919 -17.021   4.539
  421   1HB   ALA  49          2HB       ALA  49  -6.758 -16.716   3.392
  422   2HB   ALA  49          3HB       ALA  49  -6.747 -15.003   3.844
  423   3HB   ALA  49          1HB       ALA  49  -6.657 -16.253   5.101
  424    H    GLU  50           H        GLU  50  -8.824 -13.514   3.972
  425    HA   GLU  50           HA       GLU  50  -9.065 -12.787   6.757
  426   1HB   GLU  50          1HB       GLU  50  -7.909 -11.568   4.783
  427   2HB   GLU  50          2HB       GLU  50  -9.520 -11.061   4.300
  428   1HG   GLU  50          1HG       GLU  50  -8.336  -9.319   5.512
  429   2HG   GLU  50          2HG       GLU  50  -9.758  -9.872   6.380
  430    H    CYS  51           H        CYS  51 -11.317 -13.610   4.209
  431    HA   CYS  51           HA       CYS  51 -13.687 -12.685   5.573
  432   1HB   CYS  51          1HB       CYS  51 -14.677 -13.128   3.657
  433   2HB   CYS  51          2HB       CYS  51 -13.147 -13.685   3.036
  434    HG   CYS  51           HG       CYS  51 -15.530 -15.380   4.610
  435    H    ILE  52           H        ILE  52 -11.911 -15.748   5.369
  436    HA   ILE  52           HA       ILE  52 -13.781 -17.392   6.734
  437    HB   ILE  52           HB       ILE  52 -10.816 -17.539   6.091
  438   1HG1  ILE  52          1HG1      ILE  52 -13.172 -19.230   5.166
  439   2HG1  ILE  52          2HG1      ILE  52 -12.658 -17.769   4.331
  440   1HG2  ILE  52          1HG2      ILE  52 -11.054 -18.809   8.177
  441   2HG2  ILE  52          2HG2      ILE  52 -12.402 -19.734   7.468
  442   3HG2  ILE  52          3HG2      ILE  52 -10.760 -19.881   6.817
  443   1HD1  ILE  52          1HD1      ILE  52 -10.357 -18.800   4.050
  444   2HD1  ILE  52          2HD1      ILE  52 -11.056 -20.332   4.625
  445   3HD1  ILE  52          3HD1      ILE  52 -11.668 -19.566   3.150
  446    H    GLN  53           H        GLN  53 -11.005 -15.463   7.759
  447    HA   GLN  53           HA       GLN  53 -10.905 -15.972  10.484
  448   1HB   GLN  53          1HB       GLN  53 -10.497 -13.475   8.840
  449   2HB   GLN  53          2HB       GLN  53 -10.573 -13.337  10.592
  450   1HG   GLN  53          1HG       GLN  53  -8.787 -15.042  10.827
  451   2HG   GLN  53          2HG       GLN  53  -8.619 -15.086   9.063
  452   1HE2  GLN  53          2HE2      GLN  53  -6.936 -11.991   8.857
  453   2HE2  GLN  53          1HE2      GLN  53  -7.174 -13.570   8.184
  454    H    ARG  54           H        ARG  54 -13.487 -14.091   8.876
  455    HA   ARG  54           HA       ARG  54 -14.800 -13.781  11.573
  456   1HB   ARG  54          1HB       ARG  54 -14.563 -11.919   9.215
  457   2HB   ARG  54          2HB       ARG  54 -16.047 -11.926  10.127
  458   1HG   ARG  54          1HG       ARG  54 -14.844 -10.251  11.190
  459   2HG   ARG  54          2HG       ARG  54 -14.725 -11.636  12.268
  460   1HD   ARG  54          1HD       ARG  54 -12.596 -10.563  12.150
  461   2HD   ARG  54          2HD       ARG  54 -12.449 -12.125  11.353
  462    HE   ARG  54           HE       ARG  54 -13.132 -10.232   9.343
  463   1HH1  ARG  54          2HH2      ARG  54 -10.252 -10.862  11.438
  464   2HH1  ARG  54          1HH2      ARG  54  -9.209 -10.579  10.045
  465   1HH2  ARG  54          2HH1      ARG  54 -11.634  -9.319   7.903
  466   2HH2  ARG  54          1HH1      ARG  54  -9.942  -9.544   8.255
  467    H    GLY  55           H        GLY  55 -14.866 -15.997   9.341
  468   1HA   GLY  55          1HA       GLY  55 -16.461 -17.361   8.466
  469   2HA   GLY  55          2HA       GLY  55 -17.485 -16.786   9.794
  470    H    VAL  56           H        VAL  56 -16.157 -14.834   7.143
  471    HA   VAL  56           HA       VAL  56 -18.840 -13.945   6.304
  472    HB   VAL  56           HB       VAL  56 -16.004 -13.328   5.484
  473   1HG1  VAL  56          1HG1      VAL  56 -18.486 -12.421   3.968
  474   2HG1  VAL  56          2HG1      VAL  56 -16.908 -11.630   3.879
  475   3HG1  VAL  56          3HG1      VAL  56 -17.064 -13.289   3.337
  476   1HG2  VAL  56          1HG2      VAL  56 -17.034 -12.182   7.442
  477   2HG2  VAL  56          2HG2      VAL  56 -16.612 -11.071   6.120
  478   3HG2  VAL  56          3HG2      VAL  56 -18.302 -11.555   6.354
  479    H    SER  57           H        SER  57 -19.572 -14.289   4.123
  480    HA   SER  57           HA       SER  57 -19.460 -17.012   3.241
  481   1HB   SER  57          1HB       SER  57 -20.866 -14.566   2.681
  482   2HB   SER  57          2HB       SER  57 -20.400 -15.303   1.140
  483    HG   SER  57           HG       SER  57 -21.576 -16.882   3.167
  484    HA   PRO  58           HA       PRO  58 -15.596 -16.618   0.996
  485   1HB   PRO  58          1HB       PRO  58 -15.907 -18.537  -0.996
  486   2HB   PRO  58          2HB       PRO  58 -15.454 -18.876   0.699
  487   1HG   PRO  58          1HG       PRO  58 -18.202 -19.043  -0.551
  488   2HG   PRO  58          2HG       PRO  58 -17.417 -20.210   0.551
  489   1HD   PRO  58          1HD       PRO  58 -19.223 -18.406   1.455
  490   2HD   PRO  58          2HD       PRO  58 -17.780 -18.797   2.437
  491    H    SER  59           H        SER  59 -18.486 -16.961  -1.079
  492    HA   SER  59           HA       SER  59 -17.481 -15.312  -3.220
  493   1HB   SER  59          1HB       SER  59 -20.072 -15.476  -3.746
  494   2HB   SER  59          2HB       SER  59 -19.022 -16.892  -3.882
  495    HG   SER  59           HG       SER  59 -20.928 -17.334  -2.644
  496    H    GLN  60           H        GLN  60 -18.023 -14.263  -0.189
  497    HA   GLN  60           HA       GLN  60 -18.648 -11.570  -1.149
  498   1HB   GLN  60          1HB       GLN  60 -19.994 -12.971   1.210
  499   2HB   GLN  60          2HB       GLN  60 -19.963 -11.219   1.036
  500   1HG   GLN  60          1HG       GLN  60 -21.157 -13.018  -1.122
  501   2HG   GLN  60          2HG       GLN  60 -22.078 -12.322   0.203
  502   1HE2  GLN  60          2HE2      GLN  60 -20.660  -9.811  -2.749
  503   2HE2  GLN  60          1HE2      GLN  60 -20.231 -11.527  -2.735
  504    H    ALA  61           H        ALA  61 -16.204 -13.133  -0.593
  505    HA   ALA  61           HA       ALA  61 -15.074 -11.842   1.703
  506   1HB   ALA  61          2HB       ALA  61 -14.099 -13.826   0.572
  507   2HB   ALA  61          3HB       ALA  61 -13.603 -12.771  -0.771
  508   3HB   ALA  61          1HB       ALA  61 -12.985 -12.489   0.876
  509    H    GLN  62           H        GLN  62 -16.116 -10.677  -1.379
  510    HA   GLN  62           HA       GLN  62 -14.749  -8.201  -1.363
  511   1HB   GLN  62          1HB       GLN  62 -17.207  -9.287  -2.603
  512   2HB   GLN  62          2HB       GLN  62 -17.247  -7.548  -2.323
  513   1HG   GLN  62          1HG       GLN  62 -16.424  -8.083  -4.554
  514   2HG   GLN  62          2HG       GLN  62 -15.234  -7.187  -3.611
  515   1HE2  GLN  62          2HE2      GLN  62 -12.774  -9.778  -3.698
  516   2HE2  GLN  62          1HE2      GLN  62 -13.298  -8.374  -2.818
  517    H    GLY  63           H        GLY  63 -17.527  -9.308   0.532
  518   1HA   GLY  63          1HA       GLY  63 -18.625  -6.849   1.280
  519   2HA   GLY  63          2HA       GLY  63 -18.793  -8.370   2.162
  520    H    LEU  64           H        LEU  64 -15.736  -8.296   2.439
  521    HA   LEU  64           HA       LEU  64 -15.294  -7.381   5.011
  522   1HB   LEU  64          1HB       LEU  64 -13.552  -7.687   2.558
  523   2HB   LEU  64          2HB       LEU  64 -12.900  -6.987   4.040
  524    HG   LEU  64           HG       LEU  64 -13.437  -8.940   5.347
  525   1HD1  LEU  64          2HD1      LEU  64 -14.740  -9.975   2.870
  526   2HD1  LEU  64          3HD1      LEU  64 -14.192 -11.004   4.195
  527   3HD1  LEU  64          1HD1      LEU  64 -15.429  -9.762   4.484
  528   1HD2  LEU  64          3HD2      LEU  64 -11.290  -8.814   4.020
  529   2HD2  LEU  64          1HD2      LEU  64 -11.842 -10.471   4.311
  530   3HD2  LEU  64          2HD2      LEU  64 -12.085  -9.717   2.718
  531    H    GLY  65           H        GLY  65 -15.178  -5.472   2.013
  532   1HA   GLY  65          1HA       GLY  65 -15.119  -3.233   1.645
  533   2HA   GLY  65          2HA       GLY  65 -16.069  -3.102   3.131
  534    H    SER  66           H        SER  66 -14.917  -2.541   5.117
  535    HA   SER  66           HA       SER  66 -12.789  -0.691   4.823
  536   1HB   SER  66          1HB       SER  66 -14.348  -0.861   6.805
  537   2HB   SER  66          2HB       SER  66 -13.422  -2.283   7.337
  538    HG   SER  66           HG       SER  66 -12.607  -0.357   8.299
  539    H    ASN  67           H        ASN  67 -12.800  -4.166   5.675
  540    HA   ASN  67           HA       ASN  67  -9.824  -4.195   5.576
  541   1HB   ASN  67          1HB       ASN  67  -9.786  -6.057   6.867
  542   2HB   ASN  67          2HB       ASN  67 -11.053  -5.070   7.590
  543   1HD2  ASN  67          2HD2      ASN  67 -13.617  -7.486   6.818
  544   2HD2  ASN  67          1HD2      ASN  67 -13.450  -5.775   7.067
  545    H    LEU  68           H        LEU  68 -11.929  -4.262   3.207
  546    HA   LEU  68           HA       LEU  68 -11.512  -6.760   1.857
  547   1HB   LEU  68          1HB       LEU  68 -13.182  -5.183   1.079
  548   2HB   LEU  68          2HB       LEU  68 -11.973  -3.886   0.919
  549    HG   LEU  68           HG       LEU  68 -10.894  -5.304  -0.897
  550   1HD1  LEU  68          2HD1      LEU  68 -12.323  -7.386  -0.240
  551   2HD1  LEU  68          3HD1      LEU  68 -13.633  -6.501  -1.038
  552   3HD1  LEU  68          1HD1      LEU  68 -12.189  -6.972  -1.967
  553   1HD2  LEU  68          2HD2      LEU  68 -13.679  -4.198  -1.344
  554   2HD2  LEU  68          3HD2      LEU  68 -12.149  -3.282  -1.419
  555   3HD2  LEU  68          1HD2      LEU  68 -12.484  -4.562  -2.606
  556    H    VAL  69           H        VAL  69  -9.657  -7.405   0.788
  557    HA   VAL  69           HA       VAL  69  -7.374  -5.494   0.512
  558    HB   VAL  69           HB       VAL  69  -6.669  -7.624   1.424
  559   1HG1  VAL  69          3HG1      VAL  69  -8.051  -8.816  -0.989
  560   2HG1  VAL  69          1HG1      VAL  69  -6.709  -9.613  -0.220
  561   3HG1  VAL  69          2HG1      VAL  69  -8.140  -9.263   0.744
  562   1HG2  VAL  69          2HG2      VAL  69  -5.765  -7.211  -1.458
  563   2HG2  VAL  69          3HG2      VAL  69  -5.106  -6.450   0.013
  564   3HG2  VAL  69          1HG2      VAL  69  -4.950  -8.190  -0.252
  565    H    THR  70           H        THR  70  -6.770  -4.767  -1.455
  566    HA   THR  70           HA       THR  70  -8.248  -5.630  -3.886
  567    HB   THR  70           HB       THR  70  -8.131  -3.145  -4.466
  568    HG1  THR  70          1HG       THR  70  -8.112  -1.927  -2.315
  569   1HG2  THR  70          2HG2      THR  70 -10.171  -4.393  -3.549
  570   2HG2  THR  70          3HG2      THR  70  -9.738  -3.733  -1.951
  571   3HG2  THR  70          1HG2      THR  70 -10.164  -2.644  -3.278
  572    H    GLU  71           H        GLU  71  -7.005  -5.043  -5.817
  573    HA   GLU  71           HA       GLU  71  -4.408  -6.084  -5.922
  574   1HB   GLU  71          1HB       GLU  71  -5.834  -3.980  -7.611
  575   2HB   GLU  71          2HB       GLU  71  -4.267  -4.675  -8.062
  576   1HG   GLU  71          1HG       GLU  71  -5.140  -6.888  -8.271
  577   2HG   GLU  71          2HG       GLU  71  -6.637  -6.478  -7.436
  578    H    VAL  72           H        VAL  72  -5.366  -2.642  -5.645
  579    HA   VAL  72           HA       VAL  72  -2.789  -1.631  -5.668
  580    HB   VAL  72           HB       VAL  72  -4.819  -0.337  -5.978
  581   1HG1  VAL  72          2HG1      VAL  72  -6.223  -1.194  -4.161
  582   2HG1  VAL  72          3HG1      VAL  72  -5.163  -0.452  -2.943
  583   3HG1  VAL  72          1HG1      VAL  72  -6.074   0.567  -4.071
  584   1HG2  VAL  72          1HG2      VAL  72  -2.638   0.755  -5.475
  585   2HG2  VAL  72          2HG2      VAL  72  -4.061   1.700  -5.002
  586   3HG2  VAL  72          3HG2      VAL  72  -3.128   0.843  -3.763
  587    H    ARG  73           H        ARG  73  -4.433  -3.104  -2.843
  588    HA   ARG  73           HA       ARG  73  -2.617  -2.134  -0.825
  589   1HB   ARG  73          1HB       ARG  73  -4.138  -4.770  -1.086
  590   2HB   ARG  73          2HB       ARG  73  -3.214  -4.329   0.321
  591   1HG   ARG  73          1HG       ARG  73  -5.690  -2.889  -0.711
  592   2HG   ARG  73          2HG       ARG  73  -5.595  -3.977   0.672
  593   1HD   ARG  73          1HD       ARG  73  -4.474  -1.215   0.371
  594   2HD   ARG  73          2HD       ARG  73  -5.597  -1.840   1.599
  595    HE   ARG  73           HE       ARG  73  -3.371  -3.305   2.096
  596   1HH1  ARG  73          2HH2      ARG  73  -4.103   0.185   2.063
  597   2HH1  ARG  73          1HH2      ARG  73  -2.494   0.608   2.680
  598   1HH2  ARG  73          2HH1      ARG  73  -1.367  -2.585   3.392
  599   2HH2  ARG  73          1HH1      ARG  73  -1.160  -0.879   3.505
  600    H    VAL  74           H        VAL  74  -2.721  -5.143  -2.717
  601    HA   VAL  74           HA       VAL  74  -0.268  -6.242  -1.749
  602    HB   VAL  74           HB       VAL  74  -1.846  -6.586  -4.389
  603   1HG1  VAL  74          1HG1      VAL  74   0.383  -8.285  -3.273
  604   2HG1  VAL  74          2HG1      VAL  74  -0.656  -8.713  -4.659
  605   3HG1  VAL  74          3HG1      VAL  74   0.444  -7.344  -4.774
  606   1HG2  VAL  74          1HG2      VAL  74  -3.133  -7.277  -2.369
  607   2HG2  VAL  74          2HG2      VAL  74  -2.751  -8.616  -3.454
  608   3HG2  VAL  74          3HG2      VAL  74  -1.827  -8.419  -1.966
  609    H    TYR  75           H        TYR  75  -1.094  -4.433  -4.716
  610    HA   TYR  75           HA       TYR  75   1.340  -4.411  -5.995
  611   1HB   TYR  75          1HB       TYR  75  -1.045  -3.406  -6.577
  612   2HB   TYR  75          2HB       TYR  75  -0.358  -1.905  -5.980
  613    HD1  TYR  75          1HD       TYR  75   2.326  -1.720  -7.030
  614    HD2  TYR  75          2HD       TYR  75  -1.203  -3.421  -8.866
  615    HE1  TYR  75          1HE       TYR  75   3.329  -1.433  -9.248
  616    HE2  TYR  75          2HE       TYR  75  -0.302  -2.823 -11.086
  617    HH   TYR  75           HH       TYR  75   3.108  -1.982 -11.503
  618    H    ASN  76           H        ASN  76   0.115  -1.989  -3.641
  619    HA   ASN  76           HA       ASN  76   2.439  -0.383  -3.521
  620   1HB   ASN  76          1HB       ASN  76   0.165  -0.965  -1.587
  621   2HB   ASN  76          2HB       ASN  76   1.588  -0.120  -0.990
  622   1HD2  ASN  76          2HD2      ASN  76  -0.996   1.889  -3.401
  623   2HD2  ASN  76          1HD2      ASN  76  -1.173   0.163  -3.119
  624    H    TRP  77           H        TRP  77   1.484  -3.174  -1.488
  625    HA   TRP  77           HA       TRP  77   3.719  -3.195   0.231
  626   1HB   TRP  77          1HB       TRP  77   1.646  -4.313   0.635
  627   2HB   TRP  77          2HB       TRP  77   1.820  -5.408  -0.691
  628    HD1  TRP  77           HD       TRP  77   1.926  -5.379   2.759
  629    HE1  TRP  77          1HE       TRP  77   3.172  -7.440   3.780
  630    HE3  TRP  77          3HE       TRP  77   4.093  -7.165  -1.452
  631    HZ2  TRP  77          2HZ       TRP  77   4.723  -9.652   2.774
  632    HZ3  TRP  77          3HZ       TRP  77   5.055  -9.387  -1.477
  633    HH2  TRP  77           HH       TRP  77   5.518 -10.612   0.643
  634    H    PHE  78           H        PHE  78   3.245  -5.133  -2.757
  635    HA   PHE  78           HA       PHE  78   5.807  -6.270  -2.965
  636   1HB   PHE  78          1HB       PHE  78   3.639  -5.541  -4.950
  637   2HB   PHE  78          2HB       PHE  78   5.219  -6.020  -5.521
  638    HD1  PHE  78          1HD       PHE  78   2.578  -7.352  -3.129
  639    HD2  PHE  78          2HD       PHE  78   5.733  -8.205  -5.919
  640    HE1  PHE  78          1HE       PHE  78   2.282  -9.782  -2.754
  641    HE2  PHE  78          2HE       PHE  78   5.262 -10.637  -5.714
  642    HZ   PHE  78           HZ       PHE  78   3.644 -11.426  -4.034
  643    H    ALA  79           H        ALA  79   4.635  -3.188  -4.354
  644    HA   ALA  79           HA       ALA  79   7.061  -2.455  -5.631
  645   1HB   ALA  79          1HB       ALA  79   4.875  -1.481  -6.202
  646   2HB   ALA  79          2HB       ALA  79   4.802  -0.684  -4.615
  647   3HB   ALA  79          3HB       ALA  79   6.049  -0.222  -5.789
  648    H    ASN  80           H        ASN  80   6.119  -2.268  -2.246
  649    HA   ASN  80           HA       ASN  80   8.375  -0.461  -1.565
  650   1HB   ASN  80          1HB       ASN  80   6.221  -1.857   0.055
  651   2HB   ASN  80          2HB       ASN  80   7.709  -1.289   0.807
  652   1HD2  ASN  80          2HD2      ASN  80   5.149   1.525  -0.824
  653   2HD2  ASN  80          1HD2      ASN  80   5.022  -0.180  -1.265
  654    H    ARG  81           H        ARG  81   7.475  -3.914  -1.207
  655    HA   ARG  81           HA       ARG  81   9.745  -4.759   0.158
  656   1HB   ARG  81          1HB       ARG  81   8.102  -6.286  -1.867
  657   2HB   ARG  81          2HB       ARG  81   9.258  -6.990  -0.727
  658   1HG   ARG  81          1HG       ARG  81   7.505  -5.269   0.812
  659   2HG   ARG  81          2HG       ARG  81   6.504  -6.194  -0.312
  660   1HD   ARG  81          1HD       ARG  81   6.696  -7.398   1.743
  661   2HD   ARG  81          2HD       ARG  81   7.543  -8.281   0.442
  662    HE   ARG  81           HE       ARG  81   9.316  -6.533   2.017
  663   1HH1  ARG  81          2HH2      ARG  81   7.635  -9.624   2.042
  664   2HH1  ARG  81          1HH2      ARG  81   8.937 -10.478   2.800
  665   1HH2  ARG  81          2HH1      ARG  81  10.706  -7.407   3.435
  666   2HH2  ARG  81          1HH1      ARG  81  10.549  -9.049   4.074
  667    H    ARG  82           H        ARG  82   9.319  -4.534  -3.419
  668    HA   ARG  82           HA       ARG  82  11.867  -5.573  -4.043
  669   1HB   ARG  82          1HB       ARG  82  11.635  -4.665  -6.218
  670   2HB   ARG  82          2HB       ARG  82  10.087  -5.251  -5.648
  671   1HG   ARG  82          1HG       ARG  82   9.480  -3.335  -6.685
  672   2HG   ARG  82          2HG       ARG  82   9.590  -2.771  -5.015
  673   1HD   ARG  82          1HD       ARG  82  11.768  -1.690  -5.513
  674   2HD   ARG  82          2HD       ARG  82  11.825  -2.479  -7.095
  675    HE   ARG  82           HE       ARG  82   9.499  -1.099  -7.258
  676   1HH1  ARG  82          2HH2      ARG  82  12.884  -0.223  -6.610
  677   2HH1  ARG  82          1HH2      ARG  82  12.767   1.363  -7.288
  678   1HH2  ARG  82          2HH1      ARG  82   9.356   0.942  -8.260
  679   2HH2  ARG  82          1HH1      ARG  82  10.788   1.892  -8.488
  680    H    LYS  83           H        LYS  83  11.032  -2.343  -2.855
  681    HA   LYS  83           HA       LYS  83  13.719  -1.323  -3.383
  682   1HB   LYS  83          1HB       LYS  83  11.782   0.242  -3.433
  683   2HB   LYS  83          2HB       LYS  83  11.400  -0.179  -1.760
  684   1HG   LYS  83          1HG       LYS  83  12.460   1.897  -1.659
  685   2HG   LYS  83          2HG       LYS  83  13.643   0.752  -1.049
  686   1HD   LYS  83          1HD       LYS  83  14.772   0.778  -3.322
  687   2HD   LYS  83          2HD       LYS  83  13.541   1.944  -3.855
  688   1HE   LYS  83          1HE       LYS  83  14.279   3.420  -1.882
  689   2HE   LYS  83          2HE       LYS  83  15.647   2.318  -1.663
  690   1HZ   LYS  83          3HZ       LYS  83  15.046   3.915  -4.076
  691   2HZ   LYS  83          1HZ       LYS  83  16.151   4.276  -2.941
  692   3HZ   LYS  83          2HZ       LYS  83  16.397   2.965  -3.900
  693    H    GLU  84           H        GLU  84  11.894  -2.719  -0.688
  694    HA   GLU  84           HA       GLU  84  13.781  -2.452   1.373
  695   1HB   GLU  84          1HB       GLU  84  11.391  -3.712   1.111
  696   2HB   GLU  84          2HB       GLU  84  12.455  -5.131   1.005
  697   1HG   GLU  84          1HG       GLU  84  13.472  -4.351   3.189
  698   2HG   GLU  84          2HG       GLU  84  12.249  -3.056   3.179
  699    H    GLU  85           H        GLU  85  13.655  -4.661  -1.403
  700    HA   GLU  85           HA       GLU  85  15.932  -6.231  -0.569
  701   1HB   GLU  85          1HB       GLU  85  14.108  -6.977  -2.060
  702   2HB   GLU  85          2HB       GLU  85  14.776  -6.008  -3.385
  703   1HG   GLU  85          1HG       GLU  85  16.866  -7.290  -3.285
  704   2HG   GLU  85          2HG       GLU  85  16.302  -8.166  -1.859
  705    H    ALA  86           H        ALA  86  15.509  -3.582  -2.978
  706    HA   ALA  86           HA       ALA  86  18.235  -3.302  -3.689
  707   1HB   ALA  86          1HB       ALA  86  16.473  -2.077  -4.828
  708   2HB   ALA  86          2HB       ALA  86  16.166  -1.116  -3.351
  709   3HB   ALA  86          3HB       ALA  86  17.711  -0.962  -4.197
  710    H    PHE  87           H        PHE  87  16.479  -2.149  -0.821
  711    HA   PHE  87           HA       PHE  87  18.491  -0.498   0.261
  712   1HB   PHE  87          1HB       PHE  87  15.976  -1.053   1.041
  713   2HB   PHE  87          2HB       PHE  87  16.804  -2.164   2.109
  714    HD1  PHE  87          1HD       PHE  87  16.303   1.389   1.187
  715    HD2  PHE  87          2HD       PHE  87  18.232  -1.305   3.945
  716    HE1  PHE  87          1HE       PHE  87  16.706   3.273   2.757
  717    HE2  PHE  87          2HE       PHE  87  18.584   0.572   5.530
  718    HZ   PHE  87           HZ       PHE  87  17.830   2.860   4.936
  719    H    ARG  88           H        ARG  88  17.793  -4.036   0.853
  720    HA   ARG  88           HA       ARG  88  20.153  -4.473   2.296
  721   1HB   ARG  88          1HB       ARG  88  18.158  -6.059   1.976
  722   2HB   ARG  88          2HB       ARG  88  18.855  -6.469   0.405
  723   1HG   ARG  88          1HG       ARG  88  21.039  -6.994   1.886
  724   2HG   ARG  88          2HG       ARG  88  19.859  -7.164   3.178
  725   1HD   ARG  88          1HD       ARG  88  19.978  -8.623   0.517
  726   2HD   ARG  88          2HD       ARG  88  20.350  -9.300   2.099
  727    HE   ARG  88           HE       ARG  88  17.885  -8.768   2.676
  728   1HH1  ARG  88          2HH2      ARG  88  18.957 -10.249  -0.303
  729   2HH1  ARG  88          1HH2      ARG  88  17.421 -10.287  -1.098
  730   1HH2  ARG  88          2HH1      ARG  88  15.972  -9.818   2.185
  731   2HH2  ARG  88          1HH1      ARG  88  15.506  -9.993   0.494
  732    H    HIS  89           H        HIS  89  19.648  -4.206  -1.139
  733    HA   HIS  89           HA       HIS  89  22.038  -5.549  -1.888
  734   1HB   HIS  89          1HB       HIS  89  19.857  -5.082  -3.219
  735   2HB   HIS  89          2HB       HIS  89  20.620  -3.533  -3.622
  736    HD1  HIS  89          1HD       HIS  89  23.329  -4.108  -4.649
  737    HD2  HIS  89          2HD       HIS  89  20.248  -6.951  -4.872
  738    HE1  HIS  89          1HE       HIS  89  23.969  -5.736  -6.535
  739    H    LYS  90           H        LYS  90  21.578  -2.449  -0.542
  740    HA   LYS  90           HA       LYS  90  24.474  -1.994  -1.106
  741   1HB   LYS  90          1HB       LYS  90  23.058  -0.529  -2.604
  742   2HB   LYS  90          2HB       LYS  90  22.437   0.254  -1.159
  743   1HG   LYS  90          1HG       LYS  90  24.223   1.544  -2.210
  744   2HG   LYS  90          2HG       LYS  90  24.643   1.071  -0.571
  745   1HD   LYS  90          1HD       LYS  90  26.543   0.940  -2.010
  746   2HD   LYS  90          2HD       LYS  90  26.205  -0.661  -1.412
  747   1HE   LYS  90          1HE       LYS  90  25.361   0.382  -4.185
  748   2HE   LYS  90          2HE       LYS  90  26.897  -0.418  -3.846
  749   1HZ   LYS  90          1HZ       LYS  90  25.597  -2.399  -3.142
  750   2HZ   LYS  90          2HZ       LYS  90  24.238  -1.701  -3.766
  751   3HZ   LYS  90          3HZ       LYS  90  25.490  -1.980  -4.724
  752    H    LEU  91           H        LEU  91  21.806  -1.161   1.129
  753    HA   LEU  91           HA       LEU  91  23.623  -0.518   3.163
  754   1HB   LEU  91          1HB       LEU  91  20.595  -0.678   3.248
  755   2HB   LEU  91          2HB       LEU  91  21.645  -0.088   4.538
  756    HG   LEU  91           HG       LEU  91  20.837   1.819   3.621
  757   1HD1  LEU  91          2HD1      LEU  91  23.312   1.890   3.876
  758   2HD1  LEU  91          3HD1      LEU  91  23.487   1.509   2.144
  759   3HD1  LEU  91          1HD1      LEU  91  22.704   3.006   2.639
  760   1HD2  LEU  91          1HD2      LEU  91  19.798   0.941   1.604
  761   2HD2  LEU  91          2HD2      LEU  91  20.715   2.423   1.305
  762   3HD2  LEU  91          3HD2      LEU  91  21.375   0.883   0.783
  763    H    ALA  92           H        ALA  92  21.331  -2.012   4.895
  764    HA   ALA  92           HA       ALA  92  21.151  -3.941   6.013
  765   1HB   ALA  92          2HB       ALA  92  22.059  -5.139   3.394
  766   2HB   ALA  92          3HB       ALA  92  21.774  -6.107   4.822
  767   3HB   ALA  92          1HB       ALA  92  20.450  -5.138   4.207
  768    H    MET  93           H        MET  93  22.840  -2.691   7.171
  769    HA   MET  93           HA       MET  93  24.718  -2.647   8.403
  770   1HB   MET  93          1HB       MET  93  23.790  -5.138   8.765
  771   2HB   MET  93          2HB       MET  93  25.287  -5.577   7.956
  772   1HG   MET  93          1HG       MET  93  26.486  -4.244   9.750
  773   2HG   MET  93          2HG       MET  93  24.906  -3.937  10.484
  774   1HE   MET  93          2HE       MET  93  25.422  -4.864  12.712
  775   2HE   MET  93          3HE       MET  93  26.234  -6.417  13.046
  776   3HE   MET  93          1HE       MET  93  27.111  -5.110  12.208
  777    H    ASP  94           H        ASP  94  24.831  -2.563   5.397
  778    HA   ASP  94           HA       ASP  94  26.125  -2.363   3.649
  779   1HB   ASP  94          1HB       ASP  94  28.014  -1.405   4.915
  780   2HB   ASP  94          2HB       ASP  94  28.518  -3.040   5.394
  781    H    THR  95           H        THR  95  27.053  -5.087   5.753
  782    HA   THR  95           HA       THR  95  27.587  -6.726   3.446
  783    HB   THR  95           HB       THR  95  28.006  -8.442   5.387
  784    HG1  THR  95          1HG       THR  95  28.523  -7.416   7.292
  785   1HG2  THR  95          1HG2      THR  95  29.645  -5.914   4.887
  786   2HG2  THR  95          2HG2      THR  95  30.290  -7.391   5.630
  787   3HG2  THR  95          3HG2      THR  95  29.734  -7.421   3.963
  788    H    TYR  96           H        TYR  96  25.481  -7.416   6.292
  789    HA   TYR  96           HA       TYR  96  23.255  -8.048   4.554
  790   1HB   TYR  96          1HB       TYR  96  22.980 -10.276   5.554
  791   2HB   TYR  96          2HB       TYR  96  24.327 -10.141   4.442
  792    HD1  TYR  96          1HD       TYR  96  26.672 -10.315   5.338
  793    HD2  TYR  96          2HD       TYR  96  23.204 -10.879   7.816
  794    HE1  TYR  96          1HE       TYR  96  28.039 -11.603   6.960
  795    HE2  TYR  96          2HE       TYR  96  24.528 -12.253   9.371
  796    HH   TYR  96           HH       TYR  96  26.499 -13.406   9.632
  797    H    LYS  97           H        LYS  97  21.317  -8.241   5.696
  798    HA   LYS  97           HA       LYS  97  20.801  -8.041   8.411
  799   1HB   LYS  97          1HB       LYS  97  22.040  -5.653   7.709
  800   2HB   LYS  97          2HB       LYS  97  20.358  -5.199   7.659
  801   1HG   LYS  97          1HG       LYS  97  20.062  -6.126   9.950
  802   2HG   LYS  97          2HG       LYS  97  21.830  -6.339  10.015
  803   1HD   LYS  97          1HD       LYS  97  22.101  -3.884   9.430
  804   2HD   LYS  97          2HD       LYS  97  20.355  -3.690   9.475
  805   1HE   LYS  97          1HE       LYS  97  22.073  -4.608  11.837
  806   2HE   LYS  97          2HE       LYS  97  21.561  -2.944  11.549
  807   1HZ   LYS  97          3HZ       LYS  97  19.251  -3.689  11.688
  808   2HZ   LYS  97          1HZ       LYS  97  19.777  -5.225  12.067
  809   3HZ   LYS  97          2HZ       LYS  97  20.083  -3.945  13.057
  810    H    LEU  98           H        LEU  98  19.574  -5.705   6.006
  811    HA   LEU  98           HA       LEU  98  17.633  -5.128   5.346
  812   1HB   LEU  98          1HB       LEU  98  17.707  -7.136   3.945
  813   2HB   LEU  98          2HB       LEU  98  16.732  -7.997   5.127
  814    HG   LEU  98           HG       LEU  98  15.881  -5.350   3.838
  815   1HD1  LEU  98          2HD1      LEU  98  16.173  -7.127   2.086
  816   2HD1  LEU  98          3HD1      LEU  98  14.959  -8.098   2.958
  817   3HD1  LEU  98          1HD1      LEU  98  14.524  -6.531   2.266
  818   1HD2  LEU  98          1HD2      LEU  98  14.465  -7.467   5.499
  819   2HD2  LEU  98          2HD2      LEU  98  14.473  -5.697   5.736
  820   3HD2  LEU  98          3HD2      LEU  98  13.568  -6.416   4.410
  821    H    ASN  99           H        ASN  99  16.960  -4.012   7.023
  822    HA   ASN  99           HA       ASN  99  14.978  -5.276   8.873
  823   1HB   ASN  99          2HB       ASN  99  17.308  -3.517   9.552
  824   2HB   ASN  99          3HB       ASN  99  15.773  -3.116  10.333
  825   1HD2  ASN  99          2HD2      ASN  99  15.496  -6.353  12.020
  826   2HD2  ASN  99          1HD2      ASN  99  14.521  -5.180  11.140
   
  No H/Q in entry =         826
  Start of MODEL   15
    1   1H    MET   0          2H        MET   0  20.191   9.390 -10.393
    2   2H    MET   0          3H        MET   0  19.430   8.627 -11.646
    3   3H    MET   0          1H        MET   0  20.254  10.053 -11.886
    4    HA   MET   0           HA       MET   0  18.838  11.341 -10.699
    5   1HB   MET   0          2HB       MET   0  17.190   9.333 -12.271
    6   2HB   MET   0          3HB       MET   0  16.492  10.788 -11.553
    7   1HG   MET   0          2HG       MET   0  18.762  10.835 -13.586
    8   2HG   MET   0          3HG       MET   0  17.055  11.131 -13.930
    9   1HE   MET   0          3HE       MET   0  17.642  13.475 -15.076
   10   2HE   MET   0          1HE       MET   0  18.567  14.732 -14.250
   11   3HE   MET   0          2HE       MET   0  19.358  13.209 -14.741
   12    H    ALA   1           H        ALA   1  17.337  11.714  -9.056
   13    HA   ALA   1           HA       ALA   1  17.322   9.702  -6.952
   14   1HB   ALA   1          2HB       ALA   1  16.061  12.466  -7.136
   15   2HB   ALA   1          3HB       ALA   1  16.018  11.416  -5.707
   16   3HB   ALA   1          1HB       ALA   1  17.574  11.988  -6.329
   17    H    ARG   2           H        ARG   2  14.648  11.393  -8.745
   18    HA   ARG   2           HA       ARG   2  12.739   9.502  -7.744
   19   1HB   ARG   2          1HB       ARG   2  11.096  10.510  -9.110
   20   2HB   ARG   2          2HB       ARG   2  12.098  11.737  -8.356
   21   1HG   ARG   2          1HG       ARG   2  12.107  12.682 -10.354
   22   2HG   ARG   2          2HG       ARG   2  13.393  11.548 -10.764
   23   1HD   ARG   2          1HD       ARG   2  10.443  10.884 -11.210
   24   2HD   ARG   2          2HD       ARG   2  11.301  11.894 -12.342
   25    HE   ARG   2           HE       ARG   2  13.001  10.046 -12.622
   26   1HH1  ARG   2          2HH2      ARG   2   9.529   9.270 -12.063
   27   2HH1  ARG   2          1HH2      ARG   2   9.810   7.591 -12.435
   28   1HH2  ARG   2          2HH1      ARG   2  13.144   8.106 -13.482
   29   2HH2  ARG   2          1HH1      ARG   2  11.845   6.924 -13.463
   30    H    ILE   3           H        ILE   3  11.626   7.925  -8.788
   31    HA   ILE   3           HA       ILE   3  11.568   6.330 -10.760
   32    HB   ILE   3           HB       ILE   3  13.876   6.455 -11.306
   33   1HG1  ILE   3          1HG1      ILE   3  13.205   3.712 -10.145
   34   2HG1  ILE   3          2HG1      ILE   3  12.634   4.372 -11.679
   35   1HG2  ILE   3          1HG2      ILE   3  14.846   6.766  -8.897
   36   2HG2  ILE   3          2HG2      ILE   3  14.772   5.001  -8.794
   37   3HG2  ILE   3          3HG2      ILE   3  15.757   5.790 -10.032
   38   1HD1  ILE   3          3HD1      ILE   3  15.072   4.598 -12.376
   39   2HD1  ILE   3          1HD1      ILE   3  15.494   3.651 -10.929
   40   3HD1  ILE   3          2HD1      ILE   3  14.474   2.937 -12.183
   41    H    ASP   4           H        ASP   4  13.309   6.094  -7.696
   42    HA   ASP   4           HA       ASP   4  11.664   3.933  -6.688
   43   1HB   ASP   4          1HB       ASP   4  13.862   3.616  -6.281
   44   2HB   ASP   4          2HB       ASP   4  14.176   5.274  -5.817
   45    HA   PRO   5           HA       PRO   5   9.932   7.071  -3.570
   46   1HB   PRO   5          1HB       PRO   5  10.843   9.637  -3.430
   47   2HB   PRO   5          2HB       PRO   5  11.701   8.281  -2.673
   48   1HG   PRO   5          1HG       PRO   5  12.327   9.512  -5.365
   49   2HG   PRO   5          2HG       PRO   5  13.456   9.169  -4.023
   50   1HD   PRO   5          1HD       PRO   5  13.139   7.401  -6.092
   51   2HD   PRO   5          2HD       PRO   5  13.333   6.811  -4.416
   52    H    THR   6           H        THR   6   8.570   6.492  -5.510
   53    HA   THR   6           HA       THR   6   7.388   8.831  -6.868
   54    HB   THR   6           HB       THR   6   8.616   6.534  -8.457
   55    HG1  THR   6          1HG       THR   6   9.828   8.874  -7.505
   56   1HG2  THR   6          2HG2      THR   6   6.878   7.996  -9.572
   57   2HG2  THR   6          3HG2      THR   6   7.926   9.394  -9.255
   58   3HG2  THR   6          1HG2      THR   6   8.480   8.068 -10.308
   59    H    LYS   7           H        LYS   7   6.034   7.399  -4.992
   60    HA   LYS   7           HA       LYS   7   4.053   5.934  -6.626
   61   1HB   LYS   7          1HB       LYS   7   5.399   4.802  -4.145
   62   2HB   LYS   7          2HB       LYS   7   3.911   4.169  -4.854
   63   1HG   LYS   7          1HG       LYS   7   6.526   4.294  -6.402
   64   2HG   LYS   7          2HG       LYS   7   6.049   2.945  -5.403
   65   1HD   LYS   7          1HD       LYS   7   4.223   2.316  -6.769
   66   2HD   LYS   7          2HD       LYS   7   4.142   3.893  -7.555
   67   1HE   LYS   7          1HE       LYS   7   5.082   2.263  -9.102
   68   2HE   LYS   7          2HE       LYS   7   6.245   3.529  -8.710
   69   1HZ   LYS   7          2HZ       LYS   7   7.121   1.783  -7.005
   70   2HZ   LYS   7          3HZ       LYS   7   6.374   0.692  -7.974
   71   3HZ   LYS   7          1HZ       LYS   7   7.497   1.731  -8.578
   72    H    LYS   8           H        LYS   8   3.548   8.272  -6.151
   73    HA   LYS   8           HA       LYS   8   2.551   9.320  -3.831
   74   1HB   LYS   8          1HB       LYS   8   1.155  10.763  -5.347
   75   2HB   LYS   8          2HB       LYS   8   2.863  10.656  -5.747
   76   1HG   LYS   8          1HG       LYS   8   2.266   8.913  -7.528
   77   2HG   LYS   8          2HG       LYS   8   0.568   9.293  -7.221
   78   1HD   LYS   8          1HD       LYS   8   0.965  11.640  -7.851
   79   2HD   LYS   8          2HD       LYS   8   2.703  11.322  -8.012
   80   1HE   LYS   8          1HE       LYS   8   2.127   9.567  -9.792
   81   2HE   LYS   8          2HE       LYS   8   0.454  10.139  -9.713
   82   1HZ   LYS   8          3HZ       LYS   8   1.304  12.332 -10.392
   83   2HZ   LYS   8          1HZ       LYS   8   2.824  11.701 -10.531
   84   3HZ   LYS   8          2HZ       LYS   8   1.591  11.141 -11.494
   85    H    GLY   9           H        GLY   9   1.655   7.216  -2.897
   86   1HA   GLY   9          1HA       GLY   9  -0.880   7.373  -2.016
   87   2HA   GLY   9          2HA       GLY   9  -1.156   6.636  -3.607
   88    H    ARG  10           H        ARG  10   0.853   6.272  -0.660
   89    HA   ARG  10           HA       ARG  10   0.537   3.287  -0.805
   90   1HB   ARG  10          1HB       ARG  10   2.278   4.863   1.119
   91   2HB   ARG  10          2HB       ARG  10   2.258   3.128   0.848
   92   1HG   ARG  10          1HG       ARG  10   3.256   5.238  -1.134
   93   2HG   ARG  10          2HG       ARG  10   4.250   4.299  -0.030
   94   1HD   ARG  10          1HD       ARG  10   4.421   3.408  -2.214
   95   2HD   ARG  10          2HD       ARG  10   3.612   2.202  -1.195
   96    HE   ARG  10           HE       ARG  10   1.653   3.833  -2.454
   97   1HH1  ARG  10          2HH2      ARG  10   4.179   1.623  -3.610
   98   2HH1  ARG  10          1HH2      ARG  10   3.199   1.015  -4.916
   99   1HH2  ARG  10          2HH1      ARG  10   0.442   3.166  -4.142
  100   2HH2  ARG  10          1HH1      ARG  10   1.085   2.113  -5.379
  101    H    ARG  11           H        ARG  11  -1.380   2.770   0.232
  102    HA   ARG  11           HA       ARG  11  -2.745   4.578   1.852
  103   1HB   ARG  11          1HB       ARG  11  -3.172   2.068   0.708
  104   2HB   ARG  11          2HB       ARG  11  -3.301   1.741   2.401
  105   1HG   ARG  11          1HG       ARG  11  -5.078   3.566   2.532
  106   2HG   ARG  11          2HG       ARG  11  -4.850   3.827   0.792
  107   1HD   ARG  11          1HD       ARG  11  -5.332   1.231   0.577
  108   2HD   ARG  11          2HD       ARG  11  -5.970   1.366   2.208
  109    HE   ARG  11           HE       ARG  11  -7.878   2.322   1.349
  110   1HH1  ARG  11          2HH2      ARG  11  -5.276   2.547  -1.101
  111   2HH1  ARG  11          1HH2      ARG  11  -6.343   3.018  -2.365
  112   1HH2  ARG  11          2HH1      ARG  11  -9.334   2.773  -0.454
  113   2HH2  ARG  11          1HH1      ARG  11  -8.621   2.790  -2.043
  114    H    ASN  12           H        ASN  12  -2.888   4.558   4.069
  115    HA   ASN  12           HA       ASN  12  -0.691   3.162   5.609
  116   1HB   ASN  12          1HB       ASN  12  -0.436   5.653   4.992
  117   2HB   ASN  12          2HB       ASN  12  -1.598   5.971   6.291
  118   1HD2  ASN  12          2HD2      ASN  12   0.788   4.601   8.788
  119   2HD2  ASN  12          1HD2      ASN  12  -0.942   4.629   8.462
  120    H    ARG  13           H        ARG  13  -3.899   4.690   5.812
  121    HA   ARG  13           HA       ARG  13  -4.578   3.951   8.423
  122   1HB   ARG  13          1HB       ARG  13  -6.877   4.068   7.701
  123   2HB   ARG  13          2HB       ARG  13  -5.928   5.395   7.011
  124   1HG   ARG  13          1HG       ARG  13  -5.814   3.630   4.922
  125   2HG   ARG  13          2HG       ARG  13  -7.285   3.041   5.712
  126   1HD   ARG  13          1HD       ARG  13  -8.053   4.625   4.159
  127   2HD   ARG  13          2HD       ARG  13  -8.038   5.543   5.678
  128    HE   ARG  13           HE       ARG  13  -5.488   5.933   4.527
  129   1HH1  ARG  13          2HH2      ARG  13  -8.829   6.844   3.781
  130   2HH1  ARG  13          1HH2      ARG  13  -8.366   7.888   2.462
  131   1HH2  ARG  13          2HH1      ARG  13  -4.883   7.310   2.968
  132   2HH2  ARG  13          1HH1      ARG  13  -5.999   8.357   2.134
  133    H    PHE  14           H        PHE  14  -4.724   2.053   5.505
  134    HA   PHE  14           HA       PHE  14  -5.873  -0.370   6.587
  135   1HB   PHE  14          1HB       PHE  14  -6.033   0.080   4.247
  136   2HB   PHE  14          2HB       PHE  14  -4.283   0.316   4.102
  137    HD1  PHE  14          2HD       PHE  14  -6.875  -2.344   4.804
  138    HD2  PHE  14          1HD       PHE  14  -2.751  -1.507   3.803
  139    HE1  PHE  14          2HE       PHE  14  -6.480  -4.736   4.254
  140    HE2  PHE  14          1HE       PHE  14  -2.462  -3.840   3.096
  141    HZ   PHE  14           HZ       PHE  14  -4.375  -5.403   3.120
  142    H    LYS  15           H        LYS  15  -4.510  -2.493   6.399
  143    HA   LYS  15           HA       LYS  15  -1.761  -2.605   6.947
  144   1HB   LYS  15          1HB       LYS  15  -2.117  -3.392   9.361
  145   2HB   LYS  15          2HB       LYS  15  -2.195  -1.673   9.006
  146   1HG   LYS  15          1HG       LYS  15  -4.854  -1.995   8.970
  147   2HG   LYS  15          2HG       LYS  15  -4.478  -3.548   9.672
  148   1HD   LYS  15          1HD       LYS  15  -4.751  -2.285  11.582
  149   2HD   LYS  15          2HD       LYS  15  -3.017  -2.113  11.377
  150   1HE   LYS  15          1HE       LYS  15  -5.168  -0.088  10.575
  151   2HE   LYS  15          2HE       LYS  15  -4.063   0.032  11.945
  152   1HZ   LYS  15          3HZ       LYS  15  -2.221   0.252  10.396
  153   2HZ   LYS  15          1HZ       LYS  15  -3.244   0.181   9.102
  154   3HZ   LYS  15          2HZ       LYS  15  -3.329   1.400  10.178
  155    H    TRP  16           H        TRP  16  -1.205  -4.804   6.640
  156    HA   TRP  16           HA       TRP  16  -3.390  -6.632   5.855
  157   1HB   TRP  16          1HB       TRP  16  -0.369  -6.961   5.914
  158   2HB   TRP  16          2HB       TRP  16  -1.506  -8.142   5.317
  159    HD1  TRP  16           HD       TRP  16   0.429  -5.142   4.168
  160    HE1  TRP  16          1HE       TRP  16   0.116  -4.844   1.676
  161    HE3  TRP  16          3HE       TRP  16  -3.439  -8.404   3.449
  162    HZ2  TRP  16          2HZ       TRP  16  -1.394  -6.071  -0.420
  163    HZ3  TRP  16          3HZ       TRP  16  -3.851  -9.221   1.141
  164    HH2  TRP  16           HH       TRP  16  -2.948  -7.974  -0.802
  165    H    GLY  17           H        GLY  17  -3.846  -8.534   7.020
  166   1HA   GLY  17          1HA       GLY  17  -2.941  -8.676   9.853
  167   2HA   GLY  17          2HA       GLY  17  -4.347  -9.462   9.113
  168    HA   PRO  18           HA       PRO  18  -0.423 -12.154   9.431
  169   1HB   PRO  18          1HB       PRO  18  -1.386 -14.082  11.191
  170   2HB   PRO  18          2HB       PRO  18  -0.464 -12.628  11.648
  171   1HG   PRO  18          1HG       PRO  18  -3.459 -13.022  11.680
  172   2HG   PRO  18          2HG       PRO  18  -2.428 -12.229  12.908
  173   1HD   PRO  18          1HD       PRO  18  -3.832 -10.765  11.133
  174   2HD   PRO  18          2HD       PRO  18  -2.176 -10.285  11.607
  175    H    ALA  19           H        ALA  19  -3.787 -12.929   8.983
  176    HA   ALA  19           HA       ALA  19  -3.324 -15.629   7.941
  177   1HB   ALA  19          2HB       ALA  19  -5.774 -13.825   7.817
  178   2HB   ALA  19          3HB       ALA  19  -5.722 -15.528   7.313
  179   3HB   ALA  19          1HB       ALA  19  -5.460 -15.098   9.015
  180    H    SER  20           H        SER  20  -4.414 -12.517   6.542
  181    HA   SER  20           HA       SER  20  -3.917 -13.003   3.829
  182   1HB   SER  20          1HB       SER  20  -3.735 -10.553   5.616
  183   2HB   SER  20          2HB       SER  20  -3.278 -10.519   3.903
  184    HG   SER  20           HG       SER  20  -5.860 -10.877   4.999
  185    H    GLN  21           H        GLN  21  -1.535 -12.065   6.386
  186    HA   GLN  21           HA       GLN  21   0.686 -11.724   4.714
  187   1HB   GLN  21          1HB       GLN  21   0.375 -11.594   7.404
  188   2HB   GLN  21          2HB       GLN  21   1.116 -13.179   7.297
  189   1HG   GLN  21          1HG       GLN  21   2.967 -11.800   7.476
  190   2HG   GLN  21          2HG       GLN  21   2.896 -12.178   5.778
  191   1HE2  GLN  21          2HE2      GLN  21   1.447  -8.395   6.754
  192   2HE2  GLN  21          1HE2      GLN  21   0.926  -9.811   7.652
  193    H    GLN  22           H        GLN  22  -0.642 -14.660   6.112
  194    HA   GLN  22           HA       GLN  22   1.370 -16.435   5.297
  195   1HB   GLN  22          1HB       GLN  22   0.038 -18.050   6.193
  196   2HB   GLN  22          2HB       GLN  22  -0.929 -16.685   6.742
  197   1HG   GLN  22          1HG       GLN  22  -2.216 -17.041   4.434
  198   2HG   GLN  22          2HG       GLN  22  -1.389 -18.598   4.424
  199   1HE2  GLN  22          2HE2      GLN  22  -4.572 -19.427   5.906
  200   2HE2  GLN  22          1HE2      GLN  22  -3.827 -19.148   4.340
  201    H    ILE  23           H        ILE  23  -0.864 -14.763   3.282
  202    HA   ILE  23           HA       ILE  23  -0.350 -16.580   0.971
  203    HB   ILE  23           HB       ILE  23  -2.548 -14.732   1.838
  204   1HG1  ILE  23          1HG1      ILE  23  -2.838 -17.346   0.359
  205   2HG1  ILE  23          2HG1      ILE  23  -2.199 -17.418   2.000
  206   1HG2  ILE  23          1HG2      ILE  23  -2.095 -15.508  -1.061
  207   2HG2  ILE  23          2HG2      ILE  23  -3.569 -14.777  -0.380
  208   3HG2  ILE  23          3HG2      ILE  23  -2.077 -13.859  -0.367
  209   1HD1  ILE  23          3HD1      ILE  23  -4.787 -16.046   1.289
  210   2HD1  ILE  23          1HD1      ILE  23  -4.606 -17.691   1.958
  211   3HD1  ILE  23          2HD1      ILE  23  -4.083 -16.275   2.911
  212    H    LEU  24           H        LEU  24  -0.112 -13.182   2.073
  213    HA   LEU  24           HA       LEU  24   1.146 -12.071  -0.210
  214   1HB   LEU  24          1HB       LEU  24   1.705 -11.702   2.776
  215   2HB   LEU  24          2HB       LEU  24   2.454 -10.730   1.523
  216    HG   LEU  24           HG       LEU  24  -0.523 -10.823   2.121
  217   1HD1  LEU  24          3HD1      LEU  24   0.955  -9.594   3.721
  218   2HD1  LEU  24          1HD1      LEU  24   1.589  -8.636   2.364
  219   3HD1  LEU  24          2HD1      LEU  24  -0.112  -8.540   2.806
  220   1HD2  LEU  24          1HD2      LEU  24   1.099  -9.674  -0.142
  221   2HD2  LEU  24          2HD2      LEU  24  -0.491 -10.446  -0.198
  222   3HD2  LEU  24          3HD2      LEU  24  -0.316  -8.794   0.428
  223    H    PHE  25           H        PHE  25   2.635 -13.757   2.551
  224    HA   PHE  25           HA       PHE  25   5.302 -13.667   1.517
  225   1HB   PHE  25          1HB       PHE  25   5.801 -14.494   3.513
  226   2HB   PHE  25          2HB       PHE  25   4.084 -14.520   3.910
  227    HD1  PHE  25          2HD       PHE  25   2.760 -16.496   3.538
  228    HD2  PHE  25          1HD       PHE  25   7.018 -16.563   3.093
  229    HE1  PHE  25          2HE       PHE  25   2.699 -18.992   3.506
  230    HE2  PHE  25          1HE       PHE  25   6.975 -19.030   3.037
  231    HZ   PHE  25           HZ       PHE  25   4.828 -20.255   3.268
  232    H    GLN  26           H        GLN  26   2.577 -15.979   1.115
  233    HA   GLN  26           HA       GLN  26   4.209 -17.994   0.208
  234   1HB   GLN  26          1HB       GLN  26   2.334 -19.289  -0.054
  235   2HB   GLN  26          2HB       GLN  26   1.641 -17.971   0.860
  236   1HG   GLN  26          1HG       GLN  26   0.826 -16.990  -1.325
  237   2HG   GLN  26          2HG       GLN  26   1.427 -18.465  -2.091
  238   1HE2  GLN  26          2HE2      GLN  26  -2.190 -19.023  -1.314
  239   2HE2  GLN  26          1HE2      GLN  26  -1.301 -17.958  -2.387
  240    H    ALA  27           H        ALA  27   2.520 -15.394  -1.518
  241    HA   ALA  27           HA       ALA  27   3.312 -16.033  -4.197
  242   1HB   ALA  27          2HB       ALA  27   2.671 -13.372  -2.897
  243   2HB   ALA  27          3HB       ALA  27   2.836 -13.662  -4.633
  244   3HB   ALA  27          1HB       ALA  27   1.531 -14.464  -3.733
  245    H    TYR  28           H        TYR  28   4.806 -13.966  -1.627
  246    HA   TYR  28           HA       TYR  28   6.971 -13.024  -3.149
  247   1HB   TYR  28          1HB       TYR  28   6.221 -12.645  -0.595
  248   2HB   TYR  28          2HB       TYR  28   7.499 -13.799  -0.290
  249    HD1  TYR  28          2HD       TYR  28   6.674 -10.468  -1.722
  250    HD2  TYR  28          1HD       TYR  28   9.860 -13.103  -0.511
  251    HE1  TYR  28          2HE       TYR  28   8.233  -8.559  -1.704
  252    HE2  TYR  28          1HE       TYR  28  11.403 -11.165  -0.414
  253    HH   TYR  28           HH       TYR  28  11.609  -8.795  -0.586
  254    H    GLU  29           H        GLU  29   6.602 -16.097  -1.385
  255    HA   GLU  29           HA       GLU  29   9.181 -17.093  -1.815
  256   1HB   GLU  29          1HB       GLU  29   7.333 -18.015  -0.284
  257   2HB   GLU  29          2HB       GLU  29   6.674 -18.817  -1.716
  258   1HG   GLU  29          1HG       GLU  29   8.043 -20.411  -0.610
  259   2HG   GLU  29          2HG       GLU  29   8.966 -19.904  -2.028
  260    H    ARG  30           H        ARG  30   6.170 -17.696  -3.713
  261    HA   ARG  30           HA       ARG  30   7.612 -19.351  -5.538
  262   1HB   ARG  30          1HB       ARG  30   5.517 -19.295  -6.941
  263   2HB   ARG  30          2HB       ARG  30   5.366 -19.931  -5.302
  264   1HG   ARG  30          1HG       ARG  30   3.970 -18.279  -4.604
  265   2HG   ARG  30          2HG       ARG  30   4.808 -17.038  -5.556
  266   1HD   ARG  30          1HD       ARG  30   2.588 -17.198  -6.419
  267   2HD   ARG  30          2HD       ARG  30   3.758 -17.767  -7.583
  268    HE   ARG  30           HE       ARG  30   3.068 -19.961  -7.400
  269   1HH1  ARG  30          2HH2      ARG  30   1.027 -17.986  -5.295
  270   2HH1  ARG  30          1HH2      ARG  30  -0.397 -18.972  -5.568
  271   1HH2  ARG  30          2HH1      ARG  30   1.332 -21.109  -7.820
  272   2HH2  ARG  30          1HH1      ARG  30  -0.271 -20.686  -7.279
  273    H    GLN  31           H        GLN  31   6.599 -15.909  -5.765
  274    HA   GLN  31           HA       GLN  31   8.767 -15.432  -7.572
  275   1HB   GLN  31          1HB       GLN  31   7.495 -14.386  -9.384
  276   2HB   GLN  31          2HB       GLN  31   7.365 -16.144  -9.324
  277   1HG   GLN  31          1HG       GLN  31   5.112 -15.993  -8.361
  278   2HG   GLN  31          2HG       GLN  31   5.179 -14.225  -8.405
  279   1HE2  GLN  31          2HE2      GLN  31   3.731 -15.908 -11.639
  280   2HE2  GLN  31          1HE2      GLN  31   3.488 -16.369  -9.975
  281    H    LYS  32           H        LYS  32   9.455 -14.124  -5.926
  282    HA   LYS  32           HA       LYS  32   8.230 -11.939  -4.729
  283   1HB   LYS  32          1HB       LYS  32  10.325 -12.830  -4.185
  284   2HB   LYS  32          2HB       LYS  32  11.029 -12.422  -5.777
  285   1HG   LYS  32          1HG       LYS  32  10.857 -10.004  -5.127
  286   2HG   LYS  32          2HG       LYS  32  10.215 -10.524  -3.565
  287   1HD   LYS  32          1HD       LYS  32  13.016 -10.855  -4.714
  288   2HD   LYS  32          2HD       LYS  32  12.515 -10.127  -3.205
  289   1HE   LYS  32          1HE       LYS  32  13.565 -12.112  -2.563
  290   2HE   LYS  32          2HE       LYS  32  11.855 -12.513  -2.406
  291   1HZ   LYS  32          2HZ       LYS  32  13.615 -13.249  -4.665
  292   2HZ   LYS  32          3HZ       LYS  32  13.197 -14.231  -3.433
  293   3HZ   LYS  32          1HZ       LYS  32  12.056 -13.785  -4.481
  294    H    ASN  33           H        ASN  33   9.215 -12.212  -8.114
  295    HA   ASN  33           HA       ASN  33   8.549  -9.396  -8.744
  296   1HB   ASN  33          1HB       ASN  33   9.356 -11.776 -10.412
  297   2HB   ASN  33          2HB       ASN  33   8.782 -10.256 -11.103
  298   1HD2  ASN  33          2HD2      ASN  33  12.626 -10.526  -9.956
  299   2HD2  ASN  33          1HD2      ASN  33  11.481 -11.879  -9.746
  300    HA   PRO  34           HA       PRO  34   4.241 -11.158  -9.042
  301   1HB   PRO  34          1HB       PRO  34   2.969  -8.677  -9.267
  302   2HB   PRO  34          2HB       PRO  34   3.354  -9.475  -7.725
  303   1HG   PRO  34          1HG       PRO  34   5.018  -7.370  -9.107
  304   2HG   PRO  34          2HG       PRO  34   4.499  -7.437  -7.394
  305   1HD   PRO  34          1HD       PRO  34   6.925  -8.270  -8.047
  306   2HD   PRO  34          2HD       PRO  34   5.939  -9.295  -6.957
  307    H    SER  35           H        SER  35   3.467 -11.819 -10.961
  308    HA   SER  35           HA       SER  35   4.268 -10.343 -13.434
  309   1HB   SER  35          1HB       SER  35   3.873 -12.570 -14.507
  310   2HB   SER  35          2HB       SER  35   5.225 -12.512 -13.357
  311    HG   SER  35           HG       SER  35   4.150 -13.666 -11.936
  312    H    LYS  36           H        LYS  36   1.793 -12.779 -13.099
  313    HA   LYS  36           HA       LYS  36  -0.362 -10.821 -13.675
  314   1HB   LYS  36          1HB       LYS  36   0.878 -12.441 -15.639
  315   2HB   LYS  36          2HB       LYS  36  -0.652 -13.217 -15.370
  316   1HG   LYS  36          1HG       LYS  36  -0.797 -10.219 -15.684
  317   2HG   LYS  36          2HG       LYS  36  -0.135 -11.100 -17.044
  318   1HD   LYS  36          1HD       LYS  36  -2.543 -10.864 -17.373
  319   2HD   LYS  36          2HD       LYS  36  -2.040 -12.540 -17.208
  320   1HE   LYS  36          1HE       LYS  36  -3.995 -12.474 -15.940
  321   2HE   LYS  36          2HE       LYS  36  -2.724 -12.389 -14.731
  322   1HZ   LYS  36          1HZ       LYS  36  -3.137  -9.880 -14.820
  323   2HZ   LYS  36          2HZ       LYS  36  -4.496 -10.208 -15.619
  324   3HZ   LYS  36          3HZ       LYS  36  -4.319 -10.856 -14.165
  325    H    GLU  37           H        GLU  37  -0.606 -14.378 -13.764
  326    HA   GLU  37           HA       GLU  37  -2.752 -14.863 -12.138
  327   1HB   GLU  37          1HB       GLU  37  -1.231 -16.607 -13.266
  328   2HB   GLU  37          2HB       GLU  37  -0.083 -16.333 -11.950
  329   1HG   GLU  37          1HG       GLU  37  -2.205 -16.930 -10.410
  330   2HG   GLU  37          2HG       GLU  37  -2.829 -17.627 -11.899
  331    H    GLU  38           H        GLU  38   0.577 -14.549 -10.799
  332    HA   GLU  38           HA       GLU  38  -0.095 -14.964  -8.205
  333   1HB   GLU  38          1HB       GLU  38   2.152 -14.837  -8.987
  334   2HB   GLU  38          2HB       GLU  38   2.023 -13.111  -9.363
  335   1HG   GLU  38          1HG       GLU  38   1.416 -13.838  -6.531
  336   2HG   GLU  38          2HG       GLU  38   3.074 -14.149  -7.064
  337    H    ARG  39           H        ARG  39  -0.485 -11.780  -9.852
  338    HA   ARG  39           HA       ARG  39  -1.189 -10.369  -7.459
  339   1HB   ARG  39          1HB       ARG  39  -2.083  -9.980 -10.342
  340   2HB   ARG  39          2HB       ARG  39  -2.365  -8.790  -9.072
  341   1HG   ARG  39          1HG       ARG  39  -0.267  -7.952  -9.180
  342   2HG   ARG  39          2HG       ARG  39   0.485  -9.544  -9.286
  343   1HD   ARG  39          1HD       ARG  39   0.824  -8.133 -11.370
  344   2HD   ARG  39          2HD       ARG  39   0.118  -9.722 -11.600
  345    HE   ARG  39           HE       ARG  39  -2.008  -8.854 -12.099
  346   1HH1  ARG  39          2HH2      ARG  39   0.404  -6.188 -11.944
  347   2HH1  ARG  39          1HH2      ARG  39  -0.787  -4.996 -12.310
  348   1HH2  ARG  39          2HH1      ARG  39  -3.239  -7.435 -13.157
  349   2HH2  ARG  39          1HH1      ARG  39  -2.623  -5.851 -13.617
  350    H    GLU  40           H        GLU  40  -3.084 -11.951  -9.999
  351    HA   GLU  40           HA       GLU  40  -5.714 -11.630  -9.034
  352   1HB   GLU  40          1HB       GLU  40  -5.179 -13.979 -10.626
  353   2HB   GLU  40          2HB       GLU  40  -6.374 -12.666 -10.829
  354   1HG   GLU  40          1HG       GLU  40  -4.319 -11.395 -11.779
  355   2HG   GLU  40          2HG       GLU  40  -3.433 -12.908 -11.634
  356    H    THR  41           H        THR  41  -3.664 -14.474  -8.668
  357    HA   THR  41           HA       THR  41  -5.235 -15.868  -6.867
  358    HB   THR  41           HB       THR  41  -2.700 -16.147  -8.112
  359    HG1  THR  41          1HG       THR  41  -4.458 -17.600  -7.655
  360   1HG2  THR  41          3HG2      THR  41  -1.497 -15.253  -6.167
  361   2HG2  THR  41          1HG2      THR  41  -2.246 -16.479  -5.133
  362   3HG2  THR  41          2HG2      THR  41  -1.173 -16.940  -6.486
  363    H    LEU  42           H        LEU  42  -2.743 -13.290  -6.121
  364    HA   LEU  42           HA       LEU  42  -2.919 -13.698  -3.341
  365   1HB   LEU  42          1HB       LEU  42  -2.120 -11.401  -5.148
  366   2HB   LEU  42          2HB       LEU  42  -2.301 -11.132  -3.428
  367    HG   LEU  42           HG       LEU  42  -0.484 -13.275  -4.607
  368   1HD1  LEU  42          2HD1      LEU  42   0.202 -10.980  -5.193
  369   2HD1  LEU  42          3HD1      LEU  42   0.175 -10.534  -3.462
  370   3HD1  LEU  42          1HD1      LEU  42   1.332 -11.735  -4.064
  371   1HD2  LEU  42          1HD2      LEU  42  -1.036 -12.253  -1.787
  372   2HD2  LEU  42          2HD2      LEU  42  -0.953 -13.935  -2.380
  373   3HD2  LEU  42          3HD2      LEU  42   0.516 -12.989  -2.208
  374    H    VAL  43           H        VAL  43  -4.778 -11.449  -5.463
  375    HA   VAL  43           HA       VAL  43  -6.264 -10.421  -3.221
  376    HB   VAL  43           HB       VAL  43  -7.029 -10.431  -6.174
  377   1HG1  VAL  43          2HG1      VAL  43  -8.048  -8.913  -3.709
  378   2HG1  VAL  43          3HG1      VAL  43  -8.451  -8.475  -5.383
  379   3HG1  VAL  43          1HG1      VAL  43  -8.979 -10.031  -4.730
  380   1HG2  VAL  43          1HG2      VAL  43  -5.667  -8.322  -4.421
  381   2HG2  VAL  43          2HG2      VAL  43  -4.896  -9.215  -5.746
  382   3HG2  VAL  43          3HG2      VAL  43  -6.209  -8.088  -6.095
  383    H    GLU  44           H        GLU  44  -6.833 -13.149  -5.442
  384    HA   GLU  44           HA       GLU  44  -9.458 -13.848  -4.604
  385   1HB   GLU  44          1HB       GLU  44  -8.175 -14.597  -6.660
  386   2HB   GLU  44          2HB       GLU  44  -7.151 -15.572  -5.618
  387   1HG   GLU  44          1HG       GLU  44  -8.486 -17.245  -5.960
  388   2HG   GLU  44          2HG       GLU  44  -9.686 -16.458  -4.935
  389    H    GLU  45           H        GLU  45  -6.380 -15.437  -3.687
  390    HA   GLU  45           HA       GLU  45  -7.469 -17.071  -1.708
  391   1HB   GLU  45          1HB       GLU  45  -4.846 -16.432  -2.718
  392   2HB   GLU  45          2HB       GLU  45  -4.784 -16.540  -0.963
  393   1HG   GLU  45          1HG       GLU  45  -5.960 -18.699  -2.721
  394   2HG   GLU  45          2HG       GLU  45  -4.282 -18.651  -2.179
  395    H    CYS  46           H        CYS  46  -6.044 -13.775  -1.574
  396    HA   CYS  46           HA       CYS  46  -6.185 -13.412   1.230
  397   1HB   CYS  46          1HB       CYS  46  -5.127 -11.677  -0.227
  398   2HB   CYS  46          2HB       CYS  46  -6.710 -11.305  -0.926
  399    HG   CYS  46           HG       CYS  46  -5.998 -11.352   2.306
  400    H    ASN  47           H        ASN  47  -8.653 -12.690  -1.300
  401    HA   ASN  47           HA       ASN  47 -10.724 -11.726   0.341
  402   1HB   ASN  47          1HB       ASN  47 -10.562 -13.010  -2.360
  403   2HB   ASN  47          2HB       ASN  47 -12.086 -13.223  -1.559
  404   1HD2  ASN  47          2HD2      ASN  47 -10.995  -9.600  -3.082
  405   2HD2  ASN  47          1HD2      ASN  47  -9.796 -10.859  -2.792
  406    H    ARG  48           H        ARG  48  -9.961 -15.100  -0.565
  407    HA   ARG  48           HA       ARG  48 -12.075 -16.334   0.863
  408   1HB   ARG  48          1HB       ARG  48 -10.651 -17.385  -0.895
  409   2HB   ARG  48          2HB       ARG  48  -9.287 -17.436   0.225
  410   1HG   ARG  48          1HG       ARG  48 -10.529 -18.929   1.730
  411   2HG   ARG  48          2HG       ARG  48 -11.974 -18.776   0.715
  412   1HD   ARG  48          1HD       ARG  48 -10.972 -20.863   0.214
  413   2HD   ARG  48          2HD       ARG  48 -10.694 -19.806  -1.193
  414    HE   ARG  48           HE       ARG  48  -8.350 -19.453   0.165
  415   1HH1  ARG  48          2HH2      ARG  48 -10.027 -22.198  -1.188
  416   2HH1  ARG  48          1HH2      ARG  48  -8.649 -23.260  -1.159
  417   1HH2  ARG  48          2HH1      ARG  48  -6.516 -20.794   0.238
  418   2HH2  ARG  48          1HH1      ARG  48  -6.555 -22.406  -0.333
  419    H    ALA  49           H        ALA  49  -8.641 -16.005   1.813
  420    HA   ALA  49           HA       ALA  49  -8.883 -17.025   4.425
  421   1HB   ALA  49          3HB       ALA  49  -6.748 -16.709   3.248
  422   2HB   ALA  49          1HB       ALA  49  -6.928 -14.944   3.359
  423   3HB   ALA  49          2HB       ALA  49  -6.720 -15.912   4.835
  424    H    GLU  50           H        GLU  50  -9.500 -13.733   3.206
  425    HA   GLU  50           HA       GLU  50  -9.327 -12.565   5.835
  426   1HB   GLU  50          1HB       GLU  50  -8.492 -11.483   3.752
  427   2HB   GLU  50          2HB       GLU  50 -10.174 -11.227   3.291
  428   1HG   GLU  50          1HG       GLU  50  -9.907  -9.267   4.355
  429   2HG   GLU  50          2HG       GLU  50 -10.090 -10.159   5.880
  430    H    CYS  51           H        CYS  51 -11.811 -13.795   3.644
  431    HA   CYS  51           HA       CYS  51 -14.009 -12.946   5.315
  432   1HB   CYS  51          1HB       CYS  51 -15.359 -13.853   3.792
  433   2HB   CYS  51          2HB       CYS  51 -13.927 -13.972   2.790
  434    HG   CYS  51           HG       CYS  51 -13.384 -16.429   3.398
  435    H    ILE  52           H        ILE  52 -11.877 -15.852   5.229
  436    HA   ILE  52           HA       ILE  52 -13.594 -17.444   6.867
  437    HB   ILE  52           HB       ILE  52 -10.670 -17.649   6.076
  438   1HG1  ILE  52          1HG1      ILE  52 -13.110 -19.388   5.459
  439   2HG1  ILE  52          2HG1      ILE  52 -12.556 -18.081   4.422
  440   1HG2  ILE  52          2HG2      ILE  52 -12.243 -19.611   7.805
  441   2HG2  ILE  52          3HG2      ILE  52 -10.645 -19.924   7.095
  442   3HG2  ILE  52          1HG2      ILE  52 -10.818 -18.680   8.314
  443   1HD1  ILE  52          2HD1      ILE  52 -10.339 -19.235   4.182
  444   2HD1  ILE  52          3HD1      ILE  52 -11.026 -20.631   5.047
  445   3HD1  ILE  52          1HD1      ILE  52 -11.725 -20.121   3.509
  446    H    GLN  53           H        GLN  53 -10.822 -15.389   7.540
  447    HA   GLN  53           HA       GLN  53 -10.625 -15.909  10.334
  448   1HB   GLN  53          1HB       GLN  53  -9.473 -13.724  10.534
  449   2HB   GLN  53          2HB       GLN  53  -8.874 -14.689   9.171
  450   1HG   GLN  53          1HG       GLN  53 -10.266 -13.445   7.636
  451   2HG   GLN  53          2HG       GLN  53 -10.981 -12.494   8.924
  452   1HE2  GLN  53          2HE2      GLN  53  -7.402 -11.547   7.294
  453   2HE2  GLN  53          1HE2      GLN  53  -7.813 -13.244   7.452
  454    H    ARG  54           H        ARG  54 -13.326 -14.447   8.781
  455    HA   ARG  54           HA       ARG  54 -14.307 -13.332  11.392
  456   1HB   ARG  54          1HB       ARG  54 -14.794 -12.443   8.543
  457   2HB   ARG  54          2HB       ARG  54 -15.674 -11.795   9.935
  458   1HG   ARG  54          1HG       ARG  54 -13.873 -10.604  10.761
  459   2HG   ARG  54          2HG       ARG  54 -12.683 -11.676  10.043
  460   1HD   ARG  54          1HD       ARG  54 -13.595 -10.819   7.731
  461   2HD   ARG  54          2HD       ARG  54 -14.217  -9.451   8.642
  462    HE   ARG  54           HE       ARG  54 -11.500 -10.185   7.885
  463   1HH1  ARG  54          2HH2      ARG  54 -13.349  -8.430  10.287
  464   2HH1  ARG  54          1HH2      ARG  54 -12.072  -7.362  10.787
  465   1HH2  ARG  54          2HH1      ARG  54  -9.677  -9.080   8.779
  466   2HH2  ARG  54          1HH1      ARG  54  -9.879  -7.683   9.799
  467    H    GLY  55           H        GLY  55 -14.552 -16.001   9.469
  468   1HA   GLY  55          1HA       GLY  55 -16.207 -17.394   8.760
  469   2HA   GLY  55          2HA       GLY  55 -17.125 -16.849  10.176
  470    H    VAL  56           H        VAL  56 -16.077 -14.833   7.393
  471    HA   VAL  56           HA       VAL  56 -18.862 -13.946   6.996
  472    HB   VAL  56           HB       VAL  56 -16.199 -13.226   5.771
  473   1HG1  VAL  56          2HG1      VAL  56 -18.931 -12.291   4.771
  474   2HG1  VAL  56          3HG1      VAL  56 -17.382 -11.520   4.378
  475   3HG1  VAL  56          1HG1      VAL  56 -17.694 -13.172   3.847
  476   1HG2  VAL  56          2HG2      VAL  56 -17.003 -12.213   7.927
  477   2HG2  VAL  56          3HG2      VAL  56 -16.707 -11.039   6.616
  478   3HG2  VAL  56          1HG2      VAL  56 -18.371 -11.527   7.024
  479    H    SER  57           H        SER  57 -20.129 -14.493   5.272
  480    HA   SER  57           HA       SER  57 -20.022 -17.014   4.085
  481   1HB   SER  57          1HB       SER  57 -21.572 -14.589   3.983
  482   2HB   SER  57          2HB       SER  57 -21.384 -15.210   2.341
  483    HG   SER  57           HG       SER  57 -23.197 -16.139   3.483
  484    HA   PRO  58           HA       PRO  58 -16.453 -15.901   1.515
  485   1HB   PRO  58          1HB       PRO  58 -16.368 -18.050  -0.245
  486   2HB   PRO  58          2HB       PRO  58 -15.763 -18.076   1.434
  487   1HG   PRO  58          1HG       PRO  58 -18.450 -19.031   0.426
  488   2HG   PRO  58          2HG       PRO  58 -17.337 -19.867   1.547
  489   1HD   PRO  58          1HD       PRO  58 -19.465 -18.471   2.463
  490   2HD   PRO  58          2HD       PRO  58 -17.906 -18.383   3.337
  491    H    SER  59           H        SER  59 -19.508 -16.883  -0.023
  492    HA   SER  59           HA       SER  59 -19.178 -15.690  -2.579
  493   1HB   SER  59          1HB       SER  59 -21.790 -15.518  -2.188
  494   2HB   SER  59          2HB       SER  59 -21.010 -17.104  -2.337
  495    HG   SER  59           HG       SER  59 -22.372 -17.015  -0.477
  496    H    GLN  60           H        GLN  60 -19.900 -14.389   0.617
  497    HA   GLN  60           HA       GLN  60 -20.268 -11.661  -0.492
  498   1HB   GLN  60          1HB       GLN  60 -22.055 -12.909   1.080
  499   2HB   GLN  60          2HB       GLN  60 -20.900 -12.513   2.350
  500   1HG   GLN  60          1HG       GLN  60 -21.095 -10.045   1.446
  501   2HG   GLN  60          2HG       GLN  60 -22.469 -10.647   0.517
  502   1HE2  GLN  60          2HE2      GLN  60 -22.712 -10.521   4.649
  503   2HE2  GLN  60          1HE2      GLN  60 -21.140 -10.726   3.878
  504    H    ALA  61           H        ALA  61 -17.663 -13.067  -0.147
  505    HA   ALA  61           HA       ALA  61 -16.431 -12.207   2.248
  506   1HB   ALA  61          2HB       ALA  61 -15.071 -12.473  -0.468
  507   2HB   ALA  61          3HB       ALA  61 -14.256 -12.327   1.093
  508   3HB   ALA  61          1HB       ALA  61 -15.242 -13.753   0.758
  509    H    GLN  62           H        GLN  62 -17.314 -10.359  -0.556
  510    HA   GLN  62           HA       GLN  62 -15.545  -8.219   0.019
  511   1HB   GLN  62          1HB       GLN  62 -17.585  -8.836  -1.996
  512   2HB   GLN  62          2HB       GLN  62 -18.054  -7.312  -1.276
  513   1HG   GLN  62          1HG       GLN  62 -16.815  -6.887  -3.271
  514   2HG   GLN  62          2HG       GLN  62 -15.884  -6.313  -1.892
  515   1HE2  GLN  62          2HE2      GLN  62 -14.111  -9.807  -2.752
  516   2HE2  GLN  62          1HE2      GLN  62 -15.678  -9.732  -2.003
  517    H    GLY  63           H        GLY  63 -18.304  -9.092   1.781
  518   1HA   GLY  63          1HA       GLY  63 -19.188  -6.679   2.936
  519   2HA   GLY  63          2HA       GLY  63 -18.994  -8.231   3.776
  520    H    LEU  64           H        LEU  64 -16.125  -8.387   3.223
  521    HA   LEU  64           HA       LEU  64 -14.665  -7.342   5.214
  522   1HB   LEU  64          1HB       LEU  64 -14.175  -7.649   2.239
  523   2HB   LEU  64          2HB       LEU  64 -12.865  -7.099   3.280
  524    HG   LEU  64           HG       LEU  64 -14.344  -9.710   3.874
  525   1HD1  LEU  64          1HD1      LEU  64 -13.181  -9.800   1.585
  526   2HD1  LEU  64          2HD1      LEU  64 -11.685  -9.305   2.394
  527   3HD1  LEU  64          3HD1      LEU  64 -12.459 -10.854   2.798
  528   1HD2  LEU  64          2HD2      LEU  64 -11.857  -8.366   4.820
  529   2HD2  LEU  64          3HD2      LEU  64 -13.292  -8.884   5.753
  530   3HD2  LEU  64          1HD2      LEU  64 -12.232 -10.103   5.028
  531    H    GLY  65           H        GLY  65 -15.655  -5.456   2.372
  532   1HA   GLY  65          1HA       GLY  65 -15.297  -3.272   1.761
  533   2HA   GLY  65          2HA       GLY  65 -16.065  -3.044   3.333
  534    H    SER  66           H        SER  66 -14.745  -2.493   5.127
  535    HA   SER  66           HA       SER  66 -12.798  -0.512   4.704
  536   1HB   SER  66          1HB       SER  66 -14.192  -0.937   6.794
  537   2HB   SER  66          2HB       SER  66 -13.070  -2.241   7.204
  538    HG   SER  66           HG       SER  66 -12.577  -0.168   8.159
  539    H    ASN  67           H        ASN  67 -12.384  -3.962   5.565
  540    HA   ASN  67           HA       ASN  67  -9.440  -3.758   5.692
  541   1HB   ASN  67          1HB       ASN  67 -11.296  -6.180   5.619
  542   2HB   ASN  67          2HB       ASN  67  -9.549  -6.231   5.885
  543   1HD2  ASN  67          2HD2      ASN  67 -10.028  -4.414   9.148
  544   2HD2  ASN  67          1HD2      ASN  67  -9.097  -4.143   7.688
  545    H    LEU  68           H        LEU  68 -11.951  -4.826   3.439
  546    HA   LEU  68           HA       LEU  68 -10.987  -6.666   1.941
  547   1HB   LEU  68          1HB       LEU  68 -13.088  -5.539   1.382
  548   2HB   LEU  68          2HB       LEU  68 -12.199  -4.193   0.665
  549    HG   LEU  68           HG       LEU  68 -11.153  -6.555  -0.582
  550   1HD1  LEU  68          3HD1      LEU  68 -12.955  -7.813   0.402
  551   2HD1  LEU  68          1HD1      LEU  68 -14.104  -6.750  -0.465
  552   3HD1  LEU  68          2HD1      LEU  68 -12.941  -7.791  -1.355
  553   1HD2  LEU  68          2HD2      LEU  68 -11.554  -4.321  -1.606
  554   2HD2  LEU  68          3HD2      LEU  68 -12.156  -5.677  -2.578
  555   3HD2  LEU  68          1HD2      LEU  68 -13.294  -4.681  -1.631
  556    H    VAL  69           H        VAL  69  -9.280  -7.177   0.908
  557    HA   VAL  69           HA       VAL  69  -7.158  -5.331   0.167
  558    HB   VAL  69           HB       VAL  69  -7.612  -8.321   0.130
  559   1HG1  VAL  69          3HG1      VAL  69  -5.132  -6.879  -0.851
  560   2HG1  VAL  69          1HG1      VAL  69  -5.297  -8.629  -0.582
  561   3HG1  VAL  69          2HG1      VAL  69  -6.230  -7.857  -1.853
  562   1HG2  VAL  69          1HG2      VAL  69  -7.163  -7.134   2.303
  563   2HG2  VAL  69          2HG2      VAL  69  -5.798  -8.146   1.888
  564   3HG2  VAL  69          3HG2      VAL  69  -5.704  -6.419   1.587
  565    H    THR  70           H        THR  70  -6.282  -5.373  -2.023
  566    HA   THR  70           HA       THR  70  -8.173  -5.567  -4.215
  567    HB   THR  70           HB       THR  70  -8.096  -3.100  -4.673
  568    HG1  THR  70          1HG       THR  70  -6.990  -3.137  -2.065
  569   1HG2  THR  70          1HG2      THR  70 -10.039  -4.031  -3.403
  570   2HG2  THR  70          2HG2      THR  70  -9.226  -3.631  -1.881
  571   3HG2  THR  70          3HG2      THR  70  -9.680  -2.337  -2.984
  572    H    GLU  71           H        GLU  71  -7.022  -4.483  -6.176
  573    HA   GLU  71           HA       GLU  71  -4.710  -6.049  -6.545
  574   1HB   GLU  71          1HB       GLU  71  -5.909  -3.689  -8.154
  575   2HB   GLU  71          2HB       GLU  71  -4.607  -4.753  -8.693
  576   1HG   GLU  71          1HG       GLU  71  -6.684  -5.639  -9.620
  577   2HG   GLU  71          2HG       GLU  71  -6.112  -6.770  -8.377
  578    H    VAL  72           H        VAL  72  -5.180  -2.532  -6.330
  579    HA   VAL  72           HA       VAL  72  -2.500  -1.693  -6.270
  580    HB   VAL  72           HB       VAL  72  -4.473  -0.235  -6.548
  581   1HG1  VAL  72          3HG1      VAL  72  -5.932  -1.179  -4.763
  582   2HG1  VAL  72          1HG1      VAL  72  -4.858  -0.497  -3.522
  583   3HG1  VAL  72          2HG1      VAL  72  -5.741   0.572  -4.621
  584   1HG2  VAL  72          2HG2      VAL  72  -2.249   0.699  -5.939
  585   2HG2  VAL  72          3HG2      VAL  72  -3.621   1.668  -5.355
  586   3HG2  VAL  72          1HG2      VAL  72  -2.706   0.659  -4.226
  587    H    ARG  73           H        ARG  73  -4.340  -3.378  -3.790
  588    HA   ARG  73           HA       ARG  73  -2.772  -2.401  -1.567
  589   1HB   ARG  73          1HB       ARG  73  -5.165  -3.698  -1.728
  590   2HB   ARG  73          2HB       ARG  73  -4.091  -5.042  -1.357
  591   1HG   ARG  73          1HG       ARG  73  -4.903  -4.259   0.697
  592   2HG   ARG  73          2HG       ARG  73  -3.238  -3.700   0.594
  593   1HD   ARG  73          1HD       ARG  73  -4.700  -1.914   1.493
  594   2HD   ARG  73          2HD       ARG  73  -3.991  -1.430  -0.014
  595    HE   ARG  73           HE       ARG  73  -6.149  -1.216  -0.899
  596   1HH1  ARG  73          2HH2      ARG  73  -6.299  -3.292   1.980
  597   2HH1  ARG  73          1HH2      ARG  73  -8.026  -3.431   1.946
  598   1HH2  ARG  73          2HH1      ARG  73  -8.359  -1.189  -0.829
  599   2HH2  ARG  73          1HH1      ARG  73  -9.201  -2.331   0.229
  600    H    VAL  74           H        VAL  74  -2.935  -5.411  -3.486
  601    HA   VAL  74           HA       VAL  74  -0.603  -6.696  -2.493
  602    HB   VAL  74           HB       VAL  74  -2.023  -6.732  -5.198
  603   1HG1  VAL  74          1HG1      VAL  74   0.301  -8.425  -4.253
  604   2HG1  VAL  74          2HG1      VAL  74  -0.767  -8.854  -5.609
  605   3HG1  VAL  74          3HG1      VAL  74   0.229  -7.404  -5.705
  606   1HG2  VAL  74          2HG2      VAL  74  -3.304  -7.633  -3.274
  607   2HG2  VAL  74          3HG2      VAL  74  -2.846  -8.901  -4.418
  608   3HG2  VAL  74          1HG2      VAL  74  -1.948  -8.723  -2.899
  609    H    TYR  75           H        TYR  75  -1.059  -4.532  -5.315
  610    HA   TYR  75           HA       TYR  75   1.552  -4.356  -6.126
  611   1HB   TYR  75          1HB       TYR  75  -0.636  -3.251  -7.065
  612   2HB   TYR  75          2HB       TYR  75  -0.143  -1.847  -6.118
  613    HD1  TYR  75          2HD       TYR  75   0.643  -4.094  -8.932
  614    HD2  TYR  75          1HD       TYR  75   1.996  -0.662  -6.709
  615    HE1  TYR  75          2HE       TYR  75   2.442  -3.723 -10.589
  616    HE2  TYR  75          1HE       TYR  75   3.737  -0.240  -8.429
  617    HH   TYR  75           HH       TYR  75   4.651  -2.730 -10.535
  618    H    ASN  76           H        ASN  76   0.010  -2.307  -3.585
  619    HA   ASN  76           HA       ASN  76   2.448  -0.880  -3.101
  620   1HB   ASN  76          1HB       ASN  76   1.487   0.335  -1.500
  621   2HB   ASN  76          2HB       ASN  76   0.112  -0.054  -2.521
  622   1HD2  ASN  76          2HD2      ASN  76  -1.644  -1.256   0.282
  623   2HD2  ASN  76          1HD2      ASN  76  -1.651  -0.658  -1.378
  624    H    TRP  77           H        TRP  77   1.109  -3.869  -1.661
  625    HA   TRP  77           HA       TRP  77   2.935  -3.969   0.522
  626   1HB   TRP  77          1HB       TRP  77   1.768  -5.758   1.000
  627   2HB   TRP  77          2HB       TRP  77   0.925  -5.687  -0.547
  628    HD1  TRP  77           HD       TRP  77   1.667  -7.473  -2.366
  629    HE1  TRP  77          1HE       TRP  77   3.137  -9.522  -2.357
  630    HE3  TRP  77          3HE       TRP  77   3.757  -6.916   2.279
  631    HZ2  TRP  77          2HZ       TRP  77   4.840 -10.894  -0.503
  632    HZ3  TRP  77          3HZ       TRP  77   5.179  -8.723   3.197
  633    HH2  TRP  77           HH       TRP  77   5.818 -10.664   1.774
  634    H    PHE  78           H        PHE  78   3.176  -5.441  -2.753
  635    HA   PHE  78           HA       PHE  78   5.853  -6.344  -2.438
  636   1HB   PHE  78          1HB       PHE  78   4.212  -5.595  -4.893
  637   2HB   PHE  78          2HB       PHE  78   5.878  -6.145  -5.007
  638    HD1  PHE  78          2HD       PHE  78   6.540  -8.320  -3.750
  639    HD2  PHE  78          1HD       PHE  78   2.609  -7.357  -5.235
  640    HE1  PHE  78          2HE       PHE  78   5.962 -10.731  -3.877
  641    HE2  PHE  78          1HE       PHE  78   2.129  -9.780  -5.384
  642    HZ   PHE  78           HZ       PHE  78   3.697 -11.434  -4.443
  643    H    ALA  79           H        ALA  79   4.578  -3.345  -3.880
  644    HA   ALA  79           HA       ALA  79   7.056  -2.212  -4.596
  645   1HB   ALA  79          1HB       ALA  79   4.806  -1.537  -5.414
  646   2HB   ALA  79          2HB       ALA  79   4.534  -0.752  -3.838
  647   3HB   ALA  79          3HB       ALA  79   5.825  -0.196  -4.926
  648    H    ASN  80           H        ASN  80   5.534  -2.461  -1.439
  649    HA   ASN  80           HA       ASN  80   7.399  -0.527  -0.224
  650   1HB   ASN  80          1HB       ASN  80   5.130  -2.244   0.854
  651   2HB   ASN  80          2HB       ASN  80   6.255  -1.373   1.910
  652   1HD2  ASN  80          2HD2      ASN  80   3.344   0.859   1.556
  653   2HD2  ASN  80          1HD2      ASN  80   3.548  -0.785   2.123
  654    H    ARG  81           H        ARG  81   6.868  -4.084  -0.272
  655    HA   ARG  81           HA       ARG  81   8.987  -4.740   1.511
  656   1HB   ARG  81          1HB       ARG  81   7.789  -6.196  -0.879
  657   2HB   ARG  81          2HB       ARG  81   9.143  -6.866   0.025
  658   1HG   ARG  81          1HG       ARG  81   6.484  -6.136   1.297
  659   2HG   ARG  81          2HG       ARG  81   6.898  -7.739   0.687
  660   1HD   ARG  81          1HD       ARG  81   8.458  -6.308   2.887
  661   2HD   ARG  81          2HD       ARG  81   7.208  -7.490   3.170
  662    HE   ARG  81           HE       ARG  81   8.525  -9.233   2.212
  663   1HH1  ARG  81          2HH2      ARG  81  10.490  -6.433   3.207
  664   2HH1  ARG  81          1HH2      ARG  81  11.949  -7.131   2.537
  665   1HH2  ARG  81          2HH1      ARG  81  10.409 -10.227   1.884
  666   2HH2  ARG  81          1HH1      ARG  81  11.908  -9.323   1.709
  667    H    ARG  82           H        ARG  82   8.988  -4.206  -2.012
  668    HA   ARG  82           HA       ARG  82  11.614  -4.438  -2.758
  669   1HB   ARG  82          1HB       ARG  82   9.650  -2.166  -3.229
  670   2HB   ARG  82          2HB       ARG  82  11.221  -2.201  -4.007
  671   1HG   ARG  82          1HG       ARG  82   9.669  -4.729  -4.309
  672   2HG   ARG  82          2HG       ARG  82   8.907  -3.294  -5.014
  673   1HD   ARG  82          1HD       ARG  82  10.945  -2.713  -6.215
  674   2HD   ARG  82          2HD       ARG  82  11.762  -4.178  -5.610
  675    HE   ARG  82           HE       ARG  82   9.285  -4.833  -6.940
  676   1HH1  ARG  82          2HH2      ARG  82  12.498  -3.584  -7.802
  677   2HH1  ARG  82          1HH2      ARG  82  12.568  -4.471  -9.304
  678   1HH2  ARG  82          2HH1      ARG  82   9.169  -5.575  -8.920
  679   2HH2  ARG  82          1HH1      ARG  82  10.460  -5.428 -10.114
  680    H    LYS  83           H        LYS  83  10.197  -1.679  -0.952
  681    HA   LYS  83           HA       LYS  83  12.749  -0.358  -0.880
  682   1HB   LYS  83          1HB       LYS  83  10.564   0.839  -1.168
  683   2HB   LYS  83          2HB       LYS  83  10.058   0.302   0.437
  684   1HG   LYS  83          1HG       LYS  83  10.771   2.619   0.412
  685   2HG   LYS  83          2HG       LYS  83  11.763   1.667   1.509
  686   1HD   LYS  83          1HD       LYS  83  13.673   1.848   0.241
  687   2HD   LYS  83          2HD       LYS  83  12.811   1.931  -1.311
  688   1HE   LYS  83          1HE       LYS  83  12.657   4.185   0.722
  689   2HE   LYS  83          2HE       LYS  83  13.944   4.110  -0.487
  690   1HZ   LYS  83          2HZ       LYS  83  11.075   4.103  -1.210
  691   2HZ   LYS  83          3HZ       LYS  83  12.073   5.418  -1.191
  692   3HZ   LYS  83          1HZ       LYS  83  12.352   4.161  -2.216
  693    H    GLU  84           H        GLU  84  10.808  -2.163   1.448
  694    HA   GLU  84           HA       GLU  84  12.440  -1.733   3.743
  695   1HB   GLU  84          1HB       GLU  84  10.209  -3.038   3.544
  696   2HB   GLU  84          2HB       GLU  84  11.198  -4.368   2.917
  697   1HG   GLU  84          1HG       GLU  84  12.605  -4.059   5.091
  698   2HG   GLU  84          2HG       GLU  84  11.244  -3.102   5.686
  699    H    GLU  85           H        GLU  85  12.756  -3.824   0.878
  700    HA   GLU  85           HA       GLU  85  15.016  -5.303   1.937
  701   1HB   GLU  85          1HB       GLU  85  13.285  -5.595  -0.329
  702   2HB   GLU  85          2HB       GLU  85  14.892  -5.270  -0.983
  703   1HG   GLU  85          1HG       GLU  85  14.884  -7.557  -0.796
  704   2HG   GLU  85          2HG       GLU  85  15.741  -7.076   0.660
  705    H    ALA  86           H        ALA  86  14.588  -2.729  -0.477
  706    HA   ALA  86           HA       ALA  86  17.196  -2.221  -1.144
  707   1HB   ALA  86          1HB       ALA  86  15.121  -1.228  -2.107
  708   2HB   ALA  86          2HB       ALA  86  15.138  -0.053  -0.761
  709   3HB   ALA  86          3HB       ALA  86  16.483  -0.138  -1.922
  710    H    PHE  87           H        PHE  87  15.404  -0.999   1.629
  711    HA   PHE  87           HA       PHE  87  17.323   0.755   2.765
  712   1HB   PHE  87          1HB       PHE  87  15.187   1.012   3.476
  713   2HB   PHE  87          2HB       PHE  87  14.874  -0.700   3.644
  714    HD1  PHE  87          2HD       PHE  87  15.712  -2.034   5.590
  715    HD2  PHE  87          1HD       PHE  87  15.867   2.281   5.446
  716    HE1  PHE  87          2HE       PHE  87  16.163  -1.949   8.036
  717    HE2  PHE  87          1HE       PHE  87  16.153   2.335   7.914
  718    HZ   PHE  87           HZ       PHE  87  16.462   0.221   9.180
  719    H    ARG  88           H        ARG  88  17.051  -2.781   2.966
  720    HA   ARG  88           HA       ARG  88  19.300  -3.074   4.855
  721   1HB   ARG  88          1HB       ARG  88  17.560  -4.706   5.038
  722   2HB   ARG  88          2HB       ARG  88  17.516  -4.975   3.309
  723   1HG   ARG  88          1HG       ARG  88  18.555  -6.821   4.432
  724   2HG   ARG  88          2HG       ARG  88  19.643  -6.072   3.271
  725   1HD   ARG  88          1HD       ARG  88  20.820  -6.705   5.276
  726   2HD   ARG  88          2HD       ARG  88  20.889  -4.965   5.130
  727    HE   ARG  88           HE       ARG  88  18.885  -4.914   6.727
  728   1HH1  ARG  88          2HH2      ARG  88  21.586  -7.272   7.027
  729   2HH1  ARG  88          1HH2      ARG  88  21.573  -7.167   8.746
  730   1HH2  ARG  88          2HH1      ARG  88  18.508  -5.370   8.898
  731   2HH2  ARG  88          1HH1      ARG  88  19.658  -6.329   9.797
  732    H    HIS  89           H        HIS  89  18.627  -3.188   1.396
  733    HA   HIS  89           HA       HIS  89  21.048  -4.520   0.682
  734   1HB   HIS  89          1HB       HIS  89  18.814  -4.516  -0.496
  735   2HB   HIS  89          2HB       HIS  89  19.166  -2.879  -1.035
  736    HD1  HIS  89          1HD       HIS  89  21.240  -6.160  -1.147
  737    HD2  HIS  89          2HD       HIS  89  19.824  -3.011  -3.540
  738    HE1  HIS  89          1HE       HIS  89  21.900  -6.716  -3.529
  739    H    LYS  90           H        LYS  90  20.577  -1.384   1.742
  740    HA   LYS  90           HA       LYS  90  22.919  -0.385   0.176
  741   1HB   LYS  90          1HB       LYS  90  22.546   1.791   1.063
  742   2HB   LYS  90          2HB       LYS  90  21.081   1.178   0.312
  743   1HG   LYS  90          1HG       LYS  90  20.028   0.767   2.416
  744   2HG   LYS  90          2HG       LYS  90  21.525   1.012   3.321
  745   1HD   LYS  90          1HD       LYS  90  20.077   3.196   1.766
  746   2HD   LYS  90          2HD       LYS  90  19.961   2.901   3.508
  747   1HE   LYS  90          1HE       LYS  90  22.567   3.192   3.520
  748   2HE   LYS  90          2HE       LYS  90  22.358   3.906   1.909
  749   1HZ   LYS  90          1HZ       LYS  90  20.820   5.508   2.956
  750   2HZ   LYS  90          2HZ       LYS  90  21.172   4.838   4.428
  751   3HZ   LYS  90          3HZ       LYS  90  22.349   5.591   3.579
  752    H    LEU  91           H        LEU  91  23.021  -2.543   2.448
  753    HA   LEU  91           HA       LEU  91  25.435  -1.566   3.455
  754   1HB   LEU  91          1HB       LEU  91  24.775  -1.631   5.848
  755   2HB   LEU  91          2HB       LEU  91  23.919  -0.369   5.019
  756    HG   LEU  91           HG       LEU  91  22.575  -3.087   5.137
  757   1HD1  LEU  91          1HD1      LEU  91  23.472  -2.838   7.387
  758   2HD1  LEU  91          2HD1      LEU  91  22.709  -1.224   7.484
  759   3HD1  LEU  91          3HD1      LEU  91  21.704  -2.694   7.335
  760   1HD2  LEU  91          3HD2      LEU  91  21.695  -0.183   5.413
  761   2HD2  LEU  91          1HD2      LEU  91  21.358  -1.238   4.048
  762   3HD2  LEU  91          2HD2      LEU  91  20.623  -1.563   5.633
  763    H    ALA  92           H        ALA  92  25.425  -3.492   5.729
  764    HA   ALA  92           HA       ALA  92  25.927  -5.647   6.073
  765   1HB   ALA  92          3HB       ALA  92  23.450  -5.820   5.895
  766   2HB   ALA  92          1HB       ALA  92  23.615  -6.216   4.167
  767   3HB   ALA  92          2HB       ALA  92  24.281  -7.302   5.396
  768    H    MET  93           H        MET  93  27.376  -4.314   4.033
  769    HA   MET  93           HA       MET  93  28.715  -4.567   2.278
  770   1HB   MET  93          1HB       MET  93  29.029  -6.965   3.941
  771   2HB   MET  93          2HB       MET  93  29.491  -7.316   2.284
  772   1HG   MET  93          1HG       MET  93  30.563  -5.055   3.973
  773   2HG   MET  93          2HG       MET  93  31.383  -6.574   3.612
  774   1HE   MET  93          2HE       MET  93  33.575  -5.351   2.809
  775   2HE   MET  93          3HE       MET  93  33.577  -4.053   1.600
  776   3HE   MET  93          1HE       MET  93  32.837  -3.779   3.195
  777    H    ASP  94           H        ASP  94  25.766  -5.296   1.823
  778    HA   ASP  94           HA       ASP  94  25.710  -7.045  -0.401
  779   1HB   ASP  94          1HB       ASP  94  23.961  -4.670   0.345
  780   2HB   ASP  94          2HB       ASP  94  23.754  -5.542  -1.171
  781    H    THR  95           H        THR  95  26.982  -3.796  -0.159
  782    HA   THR  95           HA       THR  95  28.470  -2.749  -1.495
  783    HB   THR  95           HB       THR  95  28.264  -5.008  -3.528
  784    HG1  THR  95          1HG       THR  95  28.795  -5.741  -1.371
  785   1HG2  THR  95          3HG2      THR  95  30.510  -3.068  -2.864
  786   2HG2  THR  95          1HG2      THR  95  30.556  -4.389  -4.047
  787   3HG2  THR  95          2HG2      THR  95  29.483  -3.006  -4.318
  788    H    TYR  96           H        TYR  96  25.612  -4.022  -3.119
  789    HA   TYR  96           HA       TYR  96  25.044  -1.941  -4.964
  790   1HB   TYR  96          1HB       TYR  96  23.376  -3.729  -3.141
  791   2HB   TYR  96          2HB       TYR  96  22.660  -2.700  -4.357
  792    HD1  TYR  96          2HD       TYR  96  23.177  -3.055  -6.857
  793    HD2  TYR  96          1HD       TYR  96  24.215  -5.851  -3.750
  794    HE1  TYR  96          2HE       TYR  96  23.012  -4.934  -8.463
  795    HE2  TYR  96          1HE       TYR  96  24.156  -7.688  -5.347
  796    HH   TYR  96           HH       TYR  96  23.512  -8.333  -7.416
  797    H    LYS  97           H        LYS  97  22.837  -0.554  -4.330
  798    HA   LYS  97           HA       LYS  97  22.920   0.535  -1.686
  799   1HB   LYS  97          1HB       LYS  97  24.763   1.712  -3.389
  800   2HB   LYS  97          2HB       LYS  97  23.377   2.791  -3.507
  801   1HG   LYS  97          1HG       LYS  97  24.805   3.622  -1.814
  802   2HG   LYS  97          2HG       LYS  97  23.354   2.998  -1.010
  803   1HD   LYS  97          1HD       LYS  97  24.605   0.938  -0.383
  804   2HD   LYS  97          2HD       LYS  97  25.979   1.469  -1.363
  805   1HE   LYS  97          1HE       LYS  97  26.515   3.203   0.144
  806   2HE   LYS  97          2HE       LYS  97  24.962   3.098   1.003
  807   1HZ   LYS  97          2HZ       LYS  97  26.977   0.946   0.993
  808   2HZ   LYS  97          3HZ       LYS  97  26.836   2.139   2.163
  809   3HZ   LYS  97          1HZ       LYS  97  25.636   1.048   1.932
  810    H    LEU  98           H        LEU  98  20.873  -0.272  -1.699
  811    HA   LEU  98           HA       LEU  98  18.666  -0.057  -1.666
  812   1HB   LEU  98          1HB       LEU  98  19.509   2.169  -0.693
  813   2HB   LEU  98          2HB       LEU  98  19.029   2.930  -2.187
  814    HG   LEU  98           HG       LEU  98  17.114   1.395  -0.325
  815   1HD1  LEU  98          2HD1      LEU  98  17.838   4.335  -0.371
  816   2HD1  LEU  98          3HD1      LEU  98  16.415   3.643   0.438
  817   3HD1  LEU  98          1HD1      LEU  98  18.028   3.171   0.962
  818   1HD2  LEU  98          2HD2      LEU  98  16.331   1.878  -2.760
  819   2HD2  LEU  98          3HD2      LEU  98  15.377   2.634  -1.493
  820   3HD2  LEU  98          1HD2      LEU  98  16.580   3.592  -2.374
  821    H    ASN  99           H        ASN  99  18.523  -1.385  -3.658
  822    HA   ASN  99           HA       ASN  99  17.281  -0.075  -5.911
  823   1HB   ASN  99          2HB       ASN  99  18.971  -0.911  -7.545
  824   2HB   ASN  99          3HB       ASN  99  19.572   0.403  -6.526
  825   1HD2  ASN  99          2HD2      ASN  99  21.102  -3.406  -5.898
  826   2HD2  ASN  99          1HD2      ASN  99  19.611  -3.226  -6.776
   
  No H/Q in entry =         826
  Start of MODEL   16
    1   1H    MET   0          1H        MET   0  14.753  -2.962  14.561
    2   2H    MET   0          2H        MET   0  15.482  -1.643  15.155
    3   3H    MET   0          3H        MET   0  16.397  -2.896  14.564
    4    HA   MET   0           HA       MET   0  15.979  -4.247  16.347
    5   1HB   MET   0          2HB       MET   0  16.152  -1.411  17.485
    6   2HB   MET   0          3HB       MET   0  16.607  -2.906  18.303
    7   1HG   MET   0          2HG       MET   0  18.318  -3.280  16.432
    8   2HG   MET   0          3HG       MET   0  17.909  -1.666  15.838
    9   1HE   MET   0          2HE       MET   0  19.791  -3.783  18.401
   10   2HE   MET   0          3HE       MET   0  20.327  -2.598  19.605
   11   3HE   MET   0          1HE       MET   0  18.614  -3.062  19.532
   12    H    ALA   1           H        ALA   1  13.694  -4.734  15.585
   13    HA   ALA   1           HA       ALA   1  11.650  -5.264  16.152
   14   1HB   ALA   1          2HB       ALA   1  12.451  -5.667  18.406
   15   2HB   ALA   1          3HB       ALA   1  12.138  -3.996  18.883
   16   3HB   ALA   1          1HB       ALA   1  10.798  -5.044  18.426
   17    H    ARG   2           H        ARG   2  11.779  -2.203  17.924
   18    HA   ARG   2           HA       ARG   2  10.360  -0.475  18.067
   19   1HB   ARG   2          1HB       ARG   2   9.773  -1.024  15.134
   20   2HB   ARG   2          2HB       ARG   2   8.569  -0.204  16.106
   21   1HG   ARG   2          1HG       ARG   2   9.910   1.473  15.110
   22   2HG   ARG   2          2HG       ARG   2  10.210   1.448  16.850
   23   1HD   ARG   2          1HD       ARG   2  12.255  -0.084  16.252
   24   2HD   ARG   2          2HD       ARG   2  11.994   0.479  14.586
   25    HE   ARG   2           HE       ARG   2  12.006   2.730  16.364
   26   1HH1  ARG   2          2HH2      ARG   2  14.241   0.829  14.487
   27   2HH1  ARG   2          1HH2      ARG   2  15.652   1.494  15.277
   28   1HH2  ARG   2          2HH1      ARG   2  13.881   3.476  17.544
   29   2HH2  ARG   2          1HH1      ARG   2  15.445   3.147  16.817
   30    H    ILE   3           H        ILE   3   8.385  -0.287  19.081
   31    HA   ILE   3           HA       ILE   3   6.582  -2.633  18.912
   32    HB   ILE   3           HB       ILE   3   7.718  -2.832  20.996
   33   1HG1  ILE   3          1HG1      ILE   3   5.805  -2.733  22.566
   34   2HG1  ILE   3          2HG1      ILE   3   4.895  -1.780  21.393
   35   1HG2  ILE   3          2HG2      ILE   3   8.472  -0.537  21.379
   36   2HG2  ILE   3          3HG2      ILE   3   6.800  -0.022  21.717
   37   3HG2  ILE   3          1HG2      ILE   3   7.621  -1.179  22.780
   38   1HD1  ILE   3          3HD1      ILE   3   5.945  -4.598  20.881
   39   2HD1  ILE   3          1HD1      ILE   3   4.296  -4.199  21.410
   40   3HD1  ILE   3          2HD1      ILE   3   4.853  -3.673  19.826
   41    H    ASP   4           H        ASP   4   6.862   0.872  19.567
   42    HA   ASP   4           HA       ASP   4   4.790   1.360  17.646
   43   1HB   ASP   4          1HB       ASP   4   3.303   0.942  19.611
   44   2HB   ASP   4          2HB       ASP   4   4.139   2.217  20.497
   45    HA   PRO   5           HA       PRO   5   7.998   4.523  18.212
   46   1HB   PRO   5          1HB       PRO   5   8.475   5.288  15.658
   47   2HB   PRO   5          2HB       PRO   5   8.967   3.686  16.287
   48   1HG   PRO   5          1HG       PRO   5   6.488   4.347  14.718
   49   2HG   PRO   5          2HG       PRO   5   7.661   3.040  14.396
   50   1HD   PRO   5          1HD       PRO   5   5.347   2.583  15.799
   51   2HD   PRO   5          2HD       PRO   5   6.871   1.745  16.212
   52    H    THR   6           H        THR   6   8.108   6.786  17.995
   53    HA   THR   6           HA       THR   6   5.588   8.143  18.449
   54    HB   THR   6           HB       THR   6   8.415   9.243  18.632
   55    HG1  THR   6          1HG       THR   6   7.084   8.032  20.808
   56   1HG2  THR   6          2HG2      THR   6   6.543  10.878  18.903
   57   2HG2  THR   6          3HG2      THR   6   5.873   9.879  20.196
   58   3HG2  THR   6          1HG2      THR   6   7.460  10.649  20.386
   59    H    LYS   7           H        LYS   7   5.582   7.450  15.991
   60    HA   LYS   7           HA       LYS   7   5.429  10.085  14.650
   61   1HB   LYS   7          1HB       LYS   7   7.516   8.883  13.892
   62   2HB   LYS   7          2HB       LYS   7   6.495   7.625  13.198
   63   1HG   LYS   7          1HG       LYS   7   5.475   9.169  11.674
   64   2HG   LYS   7          2HG       LYS   7   6.212  10.583  12.429
   65   1HD   LYS   7          1HD       LYS   7   7.944   8.365  11.300
   66   2HD   LYS   7          2HD       LYS   7   7.172   9.491  10.204
   67   1HE   LYS   7          1HE       LYS   7   9.419  10.249  10.633
   68   2HE   LYS   7          2HE       LYS   7   8.256  11.419  11.271
   69   1HZ   LYS   7          3HZ       LYS   7   9.746   9.424  12.880
   70   2HZ   LYS   7          1HZ       LYS   7  10.090  11.007  12.815
   71   3HZ   LYS   7          2HZ       LYS   7   8.693  10.577  13.478
   72    H    LYS   8           H        LYS   8   3.264   9.477  15.765
   73    HA   LYS   8           HA       LYS   8   1.685   7.459  14.351
   74   1HB   LYS   8          1HB       LYS   8  -0.248   8.298  15.563
   75   2HB   LYS   8          2HB       LYS   8   1.103   7.851  16.584
   76   1HG   LYS   8          1HG       LYS   8  -0.039   9.742  17.463
   77   2HG   LYS   8          2HG       LYS   8   1.605  10.195  17.078
   78   1HD   LYS   8          1HD       LYS   8  -0.559  10.695  15.023
   79   2HD   LYS   8          2HD       LYS   8  -0.600  11.663  16.480
   80   1HE   LYS   8          1HE       LYS   8   1.262  12.886  16.007
   81   2HE   LYS   8          2HE       LYS   8   2.099  11.560  15.200
   82   1HZ   LYS   8          3HZ       LYS   8  -0.156  12.998  13.970
   83   2HZ   LYS   8          1HZ       LYS   8   1.428  13.344  13.681
   84   3HZ   LYS   8          2HZ       LYS   8   0.864  11.873  13.289
   85    H    GLY   9           H        GLY   9  -0.364   8.025  13.184
   86   1HA   GLY   9          1HA       GLY   9  -1.608   9.445  11.746
   87   2HA   GLY   9          2HA       GLY   9  -0.206  10.494  11.495
   88    H    ARG  10           H        ARG  10  -0.663   6.931  11.413
   89    HA   ARG  10           HA       ARG  10   0.515   6.822   8.662
   90   1HB   ARG  10          1HB       ARG  10   1.287   4.516   9.402
   91   2HB   ARG  10          2HB       ARG  10   2.094   5.889  10.126
   92   1HG   ARG  10          1HG       ARG  10   0.955   5.691  12.180
   93   2HG   ARG  10          2HG       ARG  10  -0.220   4.517  11.528
   94   1HD   ARG  10          1HD       ARG  10   1.509   2.836  11.317
   95   2HD   ARG  10          2HD       ARG  10   2.781   4.023  11.612
   96    HE   ARG  10           HE       ARG  10   2.404   4.028  13.883
   97   1HH1  ARG  10          2HH2      ARG  10   0.166   1.690  12.450
   98   2HH1  ARG  10          1HH2      ARG  10  -0.938   1.690  13.795
   99   1HH2  ARG  10          2HH1      ARG  10   1.055   3.897  15.760
  100   2HH2  ARG  10          1HH1      ARG  10  -0.352   2.879  15.737
  101    H    ARG  11           H        ARG  11  -0.128   4.225   8.155
  102    HA   ARG  11           HA       ARG  11  -2.681   4.486   7.101
  103   1HB   ARG  11          1HB       ARG  11  -0.734   3.064   6.307
  104   2HB   ARG  11          2HB       ARG  11  -1.188   1.893   7.572
  105   1HG   ARG  11          1HG       ARG  11  -3.462   1.719   6.473
  106   2HG   ARG  11          2HG       ARG  11  -2.864   2.777   5.178
  107   1HD   ARG  11          1HD       ARG  11  -1.775   0.062   6.038
  108   2HD   ARG  11          2HD       ARG  11  -2.749   0.383   4.617
  109    HE   ARG  11           HE       ARG  11  -0.860   1.982   3.891
  110   1HH1  ARG  11          2HH2      ARG  11  -0.025  -0.775   5.979
  111   2HH1  ARG  11          1HH2      ARG  11   1.483  -1.048   5.160
  112   1HH2  ARG  11          2HH1      ARG  11   1.026   1.357   2.646
  113   2HH2  ARG  11          1HH1      ARG  11   2.007   0.024   3.181
  114    H    ASN  12           H        ASN  12  -4.611   3.459   7.607
  115    HA   ASN  12           HA       ASN  12  -4.820   1.480   9.731
  116   1HB   ASN  12          1HB       ASN  12  -4.927   3.327  11.235
  117   2HB   ASN  12          2HB       ASN  12  -5.962   4.252  10.136
  118   1HD2  ASN  12          2HD2      ASN  12  -7.720   1.106  12.196
  119   2HD2  ASN  12          1HD2      ASN  12  -6.021   0.996  11.800
  120    H    ARG  13           H        ARG  13  -6.470   3.533   7.313
  121    HA   ARG  13           HA       ARG  13  -9.019   2.429   7.449
  122   1HB   ARG  13          1HB       ARG  13  -9.273   2.966   5.096
  123   2HB   ARG  13          2HB       ARG  13  -8.584   4.319   6.002
  124   1HG   ARG  13          1HG       ARG  13  -6.392   3.916   4.947
  125   2HG   ARG  13          2HG       ARG  13  -6.974   2.423   4.209
  126   1HD   ARG  13          1HD       ARG  13  -6.964   4.166   2.561
  127   2HD   ARG  13          2HD       ARG  13  -8.591   3.571   2.857
  128    HE   ARG  13           HE       ARG  13  -7.577   6.092   4.154
  129   1HH1  ARG  13          2HH2      ARG  13 -10.562   4.801   3.208
  130   2HH1  ARG  13          1HH2      ARG  13 -11.046   6.009   2.077
  131   1HH2  ARG  13          2HH1      ARG  13  -7.822   7.649   2.319
  132   2HH2  ARG  13          1HH1      ARG  13  -9.397   7.736   1.555
  133    H    PHE  14           H        PHE  14  -6.201   1.150   5.872
  134    HA   PHE  14           HA       PHE  14  -7.507  -1.456   5.322
  135   1HB   PHE  14          1HB       PHE  14  -6.876  -0.339   3.271
  136   2HB   PHE  14          2HB       PHE  14  -5.297   0.093   3.914
  137    HD1  PHE  14          2HD       PHE  14  -7.371  -3.036   3.391
  138    HD2  PHE  14          1HD       PHE  14  -3.448  -1.214   3.306
  139    HE1  PHE  14          2HE       PHE  14  -6.369  -5.186   2.728
  140    HE2  PHE  14          1HE       PHE  14  -2.467  -3.377   2.691
  141    HZ   PHE  14           HZ       PHE  14  -3.928  -5.355   2.418
  142    H    LYS  15           H        LYS  15  -6.041  -3.221   5.842
  143    HA   LYS  15           HA       LYS  15  -3.952  -2.756   7.844
  144   1HB   LYS  15          1HB       LYS  15  -5.050  -4.198   9.462
  145   2HB   LYS  15          2HB       LYS  15  -6.082  -2.805   9.159
  146   1HG   LYS  15          1HG       LYS  15  -7.596  -4.120   7.769
  147   2HG   LYS  15          2HG       LYS  15  -6.443  -5.464   7.753
  148   1HD   LYS  15          1HD       LYS  15  -6.706  -5.732  10.218
  149   2HD   LYS  15          2HD       LYS  15  -7.955  -4.477  10.177
  150   1HE   LYS  15          1HE       LYS  15  -8.877  -6.794  10.232
  151   2HE   LYS  15          2HE       LYS  15  -9.411  -5.867   8.826
  152   1HZ   LYS  15          2HZ       LYS  15  -7.185  -7.830   8.715
  153   2HZ   LYS  15          3HZ       LYS  15  -8.737  -8.166   8.292
  154   3HZ   LYS  15          1HZ       LYS  15  -7.870  -7.084   7.462
  155    H    TRP  16           H        TRP  16  -3.778  -5.524   8.503
  156    HA   TRP  16           HA       TRP  16  -4.311  -7.025   6.043
  157   1HB   TRP  16          1HB       TRP  16  -1.570  -7.013   7.350
  158   2HB   TRP  16          2HB       TRP  16  -2.152  -8.267   6.245
  159    HD1  TRP  16           HD       TRP  16  -0.563  -4.875   6.179
  160    HE1  TRP  16          1HE       TRP  16  -0.001  -4.249   3.759
  161    HE3  TRP  16          3HE       TRP  16  -3.503  -8.258   3.750
  162    HZ2  TRP  16          2HZ       TRP  16  -0.756  -5.099   1.116
  163    HZ3  TRP  16          3HZ       TRP  16  -3.301  -8.556   1.303
  164    HH2  TRP  16           HH       TRP  16  -1.994  -6.916  -0.036
  165    H    GLY  17           H        GLY  17  -2.448  -8.731   8.380
  166   1HA   GLY  17          1HA       GLY  17  -3.951  -9.170  10.598
  167   2HA   GLY  17          2HA       GLY  17  -4.867 -10.036   9.349
  168    HA   PRO  18           HA       PRO  18  -0.974 -12.372  10.777
  169   1HB   PRO  18          1HB       PRO  18  -2.160 -14.521  12.073
  170   2HB   PRO  18          2HB       PRO  18  -1.636 -13.018  12.877
  171   1HG   PRO  18          1HG       PRO  18  -4.394 -13.727  11.899
  172   2HG   PRO  18          2HG       PRO  18  -3.952 -13.011  13.467
  173   1HD   PRO  18          1HD       PRO  18  -4.864 -11.433  11.464
  174   2HD   PRO  18          2HD       PRO  18  -3.520 -10.891  12.500
  175    H    ALA  19           H        ALA  19  -4.040 -13.750   9.851
  176    HA   ALA  19           HA       ALA  19  -3.049 -15.988   8.420
  177   1HB   ALA  19          1HB       ALA  19  -5.461 -15.654   9.129
  178   2HB   ALA  19          2HB       ALA  19  -5.637 -14.496   7.791
  179   3HB   ALA  19          3HB       ALA  19  -5.256 -16.185   7.445
  180    H    SER  20           H        SER  20  -3.744 -12.683   7.400
  181    HA   SER  20           HA       SER  20  -3.395 -12.890   4.634
  182   1HB   SER  20          1HB       SER  20  -3.984 -10.819   6.091
  183   2HB   SER  20          2HB       SER  20  -2.233 -10.620   6.273
  184    HG   SER  20           HG       SER  20  -3.630 -10.817   3.800
  185    H    GLN  21           H        GLN  21  -0.908 -12.821   7.236
  186    HA   GLN  21           HA       GLN  21   1.215 -12.369   5.321
  187   1HB   GLN  21          1HB       GLN  21   1.424 -13.360   8.180
  188   2HB   GLN  21          2HB       GLN  21   2.725 -12.697   7.191
  189   1HG   GLN  21          1HG       GLN  21   0.333 -11.267   8.402
  190   2HG   GLN  21          2HG       GLN  21   2.046 -10.990   8.709
  191   1HE2  GLN  21          2HE2      GLN  21   2.218  -9.527   5.183
  192   2HE2  GLN  21          1HE2      GLN  21   2.836 -11.002   5.917
  193    H    GLN  22           H        GLN  22  -0.572 -15.209   6.181
  194    HA   GLN  22           HA       GLN  22   1.484 -17.076   5.279
  195   1HB   GLN  22          1HB       GLN  22  -0.414 -17.834   6.659
  196   2HB   GLN  22          2HB       GLN  22  -1.550 -17.335   5.419
  197   1HG   GLN  22          1HG       GLN  22  -1.232 -19.726   5.345
  198   2HG   GLN  22          2HG       GLN  22  -0.729 -18.959   3.844
  199   1HE2  GLN  22          2HE2      GLN  22   2.426 -20.233   6.207
  200   2HE2  GLN  22          1HE2      GLN  22   1.250 -19.127   6.897
  201    H    ILE  23           H        ILE  23  -1.410 -15.416   3.855
  202    HA   ILE  23           HA       ILE  23  -1.020 -16.495   1.279
  203    HB   ILE  23           HB       ILE  23  -2.448 -13.952   2.156
  204   1HG1  ILE  23          1HG1      ILE  23  -4.414 -15.344   1.351
  205   2HG1  ILE  23          2HG1      ILE  23  -3.339 -16.742   1.259
  206   1HG2  ILE  23          2HG2      ILE  23  -2.256 -15.164  -0.637
  207   2HG2  ILE  23          3HG2      ILE  23  -3.437 -13.940  -0.143
  208   3HG2  ILE  23          1HG2      ILE  23  -1.740 -13.535  -0.139
  209   1HD1  ILE  23          1HD1      ILE  23  -3.984 -15.106   3.731
  210   2HD1  ILE  23          2HD1      ILE  23  -4.736 -16.647   3.244
  211   3HD1  ILE  23          3HD1      ILE  23  -3.034 -16.631   3.682
  212    H    LEU  24           H        LEU  24  -0.044 -13.262   2.491
  213    HA   LEU  24           HA       LEU  24   1.166 -12.410   0.101
  214   1HB   LEU  24          1HB       LEU  24   1.783 -11.813   3.016
  215   2HB   LEU  24          2HB       LEU  24   2.607 -10.988   1.689
  216    HG   LEU  24           HG       LEU  24  -0.435 -10.994   1.885
  217   1HD1  LEU  24          3HD1      LEU  24   1.637  -9.210   3.159
  218   2HD1  LEU  24          1HD1      LEU  24  -0.019  -8.653   2.863
  219   3HD1  LEU  24          2HD1      LEU  24   0.283 -10.039   3.943
  220   1HD2  LEU  24          2HD2      LEU  24   1.574  -9.101   0.559
  221   2HD2  LEU  24          3HD2      LEU  24   0.608 -10.317  -0.286
  222   3HD2  LEU  24          1HD2      LEU  24  -0.195  -8.962   0.504
  223    H    PHE  25           H        PHE  25   2.613 -14.322   2.772
  224    HA   PHE  25           HA       PHE  25   5.226 -14.314   1.511
  225   1HB   PHE  25          1HB       PHE  25   4.056 -15.864   3.826
  226   2HB   PHE  25          2HB       PHE  25   5.649 -16.154   3.168
  227    HD1  PHE  25          2HD       PHE  25   3.967 -12.803   3.870
  228    HD2  PHE  25          1HD       PHE  25   7.160 -15.550   4.818
  229    HE1  PHE  25          2HE       PHE  25   5.106 -11.052   5.192
  230    HE2  PHE  25          1HE       PHE  25   8.297 -13.758   6.097
  231    HZ   PHE  25           HZ       PHE  25   7.332 -11.480   6.189
  232    H    GLN  26           H        GLN  26   2.418 -16.572   1.497
  233    HA   GLN  26           HA       GLN  26   3.756 -18.688   0.180
  234   1HB   GLN  26          1HB       GLN  26   1.833 -19.789   0.017
  235   2HB   GLN  26          2HB       GLN  26   1.328 -18.651   1.249
  236   1HG   GLN  26          1HG       GLN  26   0.132 -17.340  -0.486
  237   2HG   GLN  26          2HG       GLN  26   0.788 -18.386  -1.741
  238   1HE2  GLN  26          2HE2      GLN  26  -2.717 -19.431  -0.086
  239   2HE2  GLN  26          1HE2      GLN  26  -1.955 -17.949   0.245
  240    H    ALA  27           H        ALA  27   2.003 -15.855  -1.026
  241    HA   ALA  27           HA       ALA  27   2.203 -16.370  -3.815
  242   1HB   ALA  27          3HB       ALA  27   2.126 -13.767  -2.284
  243   2HB   ALA  27          1HB       ALA  27   1.873 -13.944  -4.036
  244   3HB   ALA  27          2HB       ALA  27   0.723 -14.678  -2.888
  245    H    TYR  28           H        TYR  28   4.256 -14.345  -1.642
  246    HA   TYR  28           HA       TYR  28   6.242 -13.681  -3.460
  247   1HB   TYR  28          1HB       TYR  28   5.764 -13.068  -0.923
  248   2HB   TYR  28          2HB       TYR  28   6.926 -14.340  -0.597
  249    HD1  TYR  28          2HD       TYR  28   6.358 -11.217  -2.580
  250    HD2  TYR  28          1HD       TYR  28   9.234 -13.666  -0.509
  251    HE1  TYR  28          2HE       TYR  28   7.887  -9.291  -2.453
  252    HE2  TYR  28          1HE       TYR  28  10.801 -11.751  -0.437
  253    HH   TYR  28           HH       TYR  28   9.983  -8.581  -1.843
  254    H    GLU  29           H        GLU  29   5.867 -16.676  -1.585
  255    HA   GLU  29           HA       GLU  29   8.326 -17.921  -2.267
  256   1HB   GLU  29          1HB       GLU  29   6.409 -18.632  -0.568
  257   2HB   GLU  29          2HB       GLU  29   5.742 -19.462  -1.975
  258   1HG   GLU  29          1HG       GLU  29   6.987 -21.167  -1.193
  259   2HG   GLU  29          2HG       GLU  29   8.240 -20.417  -2.171
  260    H    ARG  30           H        ARG  30   5.197 -17.661  -4.044
  261    HA   ARG  30           HA       ARG  30   6.007 -19.717  -5.950
  262   1HB   ARG  30          1HB       ARG  30   3.885 -17.637  -6.542
  263   2HB   ARG  30          2HB       ARG  30   4.058 -19.263  -7.175
  264   1HG   ARG  30          1HG       ARG  30   3.026 -18.347  -4.503
  265   2HG   ARG  30          2HG       ARG  30   2.163 -19.200  -5.767
  266   1HD   ARG  30          1HD       ARG  30   3.520 -21.234  -5.333
  267   2HD   ARG  30          2HD       ARG  30   4.372 -20.365  -4.024
  268    HE   ARG  30           HE       ARG  30   1.591 -20.157  -3.533
  269   1HH1  ARG  30          2HH2      ARG  30   4.136 -22.565  -3.547
  270   2HH1  ARG  30          1HH2      ARG  30   3.418 -23.610  -2.362
  271   1HH2  ARG  30          2HH1      ARG  30   0.570 -21.490  -1.889
  272   2HH2  ARG  30          1HH1      ARG  30   1.308 -22.965  -1.406
  273    H    GLN  31           H        GLN  31   5.652 -16.102  -5.963
  274    HA   GLN  31           HA       GLN  31   7.856 -15.797  -7.824
  275   1HB   GLN  31          1HB       GLN  31   5.849 -16.465  -9.248
  276   2HB   GLN  31          2HB       GLN  31   5.031 -15.011  -8.671
  277   1HG   GLN  31          1HG       GLN  31   6.890 -13.659  -9.664
  278   2HG   GLN  31          2HG       GLN  31   7.677 -15.155 -10.199
  279   1HE2  GLN  31          2HE2      GLN  31   4.158 -13.985 -12.072
  280   2HE2  GLN  31          1HE2      GLN  31   4.518 -13.482 -10.396
  281    H    LYS  32           H        LYS  32   8.625 -13.675  -7.748
  282    HA   LYS  32           HA       LYS  32   7.445 -11.916  -5.619
  283   1HB   LYS  32          1HB       LYS  32  10.297 -12.081  -6.657
  284   2HB   LYS  32          2HB       LYS  32   9.720 -11.133  -5.278
  285   1HG   LYS  32          1HG       LYS  32   9.155 -13.253  -4.077
  286   2HG   LYS  32          2HG       LYS  32   9.793 -14.178  -5.444
  287   1HD   LYS  32          1HD       LYS  32  11.984 -12.901  -5.181
  288   2HD   LYS  32          2HD       LYS  32  11.345 -12.239  -3.657
  289   1HE   LYS  32          1HE       LYS  32  11.151 -14.540  -2.738
  290   2HE   LYS  32          2HE       LYS  32  11.622 -15.200  -4.308
  291   1HZ   LYS  32          3HZ       LYS  32  13.785 -14.097  -4.042
  292   2HZ   LYS  32          1HZ       LYS  32  13.395 -13.655  -2.497
  293   3HZ   LYS  32          2HZ       LYS  32  13.500 -15.234  -2.916
  294    H    ASN  33           H        ASN  33   7.060 -11.961  -8.851
  295    HA   ASN  33           HA       ASN  33   7.731  -9.188  -9.316
  296   1HB   ASN  33          1HB       ASN  33   8.857  -9.500 -11.119
  297   2HB   ASN  33          2HB       ASN  33   9.660 -10.613 -10.031
  298   1HD2  ASN  33          2HD2      ASN  33   8.443 -13.467 -12.091
  299   2HD2  ASN  33          1HD2      ASN  33   8.722 -13.021 -10.413
  300    HA   PRO  34           HA       PRO  34   3.518 -10.507 -10.065
  301   1HB   PRO  34          1HB       PRO  34   2.204  -8.116  -9.856
  302   2HB   PRO  34          2HB       PRO  34   2.863  -9.031  -8.473
  303   1HG   PRO  34          1HG       PRO  34   4.182  -6.747  -9.957
  304   2HG   PRO  34          2HG       PRO  34   4.001  -6.939  -8.177
  305   1HD   PRO  34          1HD       PRO  34   6.278  -7.591  -9.424
  306   2HD   PRO  34          2HD       PRO  34   5.644  -8.657  -8.125
  307    H    SER  35           H        SER  35   4.275 -11.136 -12.122
  308    HA   SER  35           HA       SER  35   4.126  -9.683 -14.486
  309   1HB   SER  35          1HB       SER  35   3.345 -12.619 -14.106
  310   2HB   SER  35          2HB       SER  35   3.934 -11.846 -15.583
  311    HG   SER  35           HG       SER  35   5.381 -12.103 -13.102
  312    H    LYS  36           H        LYS  36   1.510 -11.768 -13.130
  313    HA   LYS  36           HA       LYS  36  -0.465  -9.787 -13.495
  314   1HB   LYS  36          1HB       LYS  36  -0.007 -10.833 -15.917
  315   2HB   LYS  36          2HB       LYS  36  -1.037 -12.115 -15.358
  316   1HG   LYS  36          1HG       LYS  36  -1.699  -9.117 -15.374
  317   2HG   LYS  36          2HG       LYS  36  -2.151 -10.233 -16.659
  318   1HD   LYS  36          1HD       LYS  36  -3.086 -10.592 -13.785
  319   2HD   LYS  36          2HD       LYS  36  -3.997  -9.652 -14.957
  320   1HE   LYS  36          1HE       LYS  36  -4.513 -11.514 -16.324
  321   2HE   LYS  36          2HE       LYS  36  -3.175 -12.465 -15.700
  322   1HZ   LYS  36          1HZ       LYS  36  -4.415 -12.343 -13.514
  323   2HZ   LYS  36          2HZ       LYS  36  -5.720 -11.951 -14.339
  324   3HZ   LYS  36          3HZ       LYS  36  -4.923 -13.393 -14.666
  325    H    GLU  37           H        GLU  37  -0.748 -13.417 -13.819
  326    HA   GLU  37           HA       GLU  37  -2.784 -13.785 -12.273
  327   1HB   GLU  37          1HB       GLU  37  -0.491 -15.297 -13.431
  328   2HB   GLU  37          2HB       GLU  37  -0.995 -15.974 -11.923
  329   1HG   GLU  37          1HG       GLU  37  -2.254 -16.960 -13.826
  330   2HG   GLU  37          2HG       GLU  37  -3.362 -16.097 -12.739
  331    H    GLU  38           H        GLU  38   0.533 -13.704 -11.092
  332    HA   GLU  38           HA       GLU  38   0.490 -14.385  -8.456
  333   1HB   GLU  38          1HB       GLU  38   2.386 -13.403  -9.840
  334   2HB   GLU  38          2HB       GLU  38   1.693 -11.800  -9.556
  335   1HG   GLU  38          1HG       GLU  38   2.102 -12.112  -7.115
  336   2HG   GLU  38          2HG       GLU  38   2.824 -13.690  -7.448
  337    H    ARG  39           H        ARG  39  -0.746 -11.325  -9.820
  338    HA   ARG  39           HA       ARG  39  -1.420 -10.143  -7.306
  339   1HB   ARG  39          1HB       ARG  39  -2.519  -9.628 -10.119
  340   2HB   ARG  39          2HB       ARG  39  -2.746  -8.539  -8.774
  341   1HG   ARG  39          1HG       ARG  39   0.089  -9.287  -9.627
  342   2HG   ARG  39          2HG       ARG  39  -0.879  -8.224 -10.632
  343   1HD   ARG  39          1HD       ARG  39  -1.191  -7.172  -8.005
  344   2HD   ARG  39          2HD       ARG  39   0.504  -7.643  -8.126
  345    HE   ARG  39           HE       ARG  39  -0.968  -6.008 -10.197
  346   1HH1  ARG  39          2HH2      ARG  39   1.630  -5.905  -7.812
  347   2HH1  ARG  39          1HH2      ARG  39   2.690  -4.943  -8.851
  348   1HH2  ARG  39          2HH1      ARG  39   0.628  -4.992 -11.644
  349   2HH2  ARG  39          1HH1      ARG  39   2.137  -4.425 -10.920
  350    H    GLU  40           H        GLU  40  -3.369 -11.753  -9.851
  351    HA   GLU  40           HA       GLU  40  -5.885 -11.319  -8.780
  352   1HB   GLU  40          1HB       GLU  40  -4.672 -13.115 -10.698
  353   2HB   GLU  40          2HB       GLU  40  -5.998 -13.889  -9.862
  354   1HG   GLU  40          1HG       GLU  40  -7.219 -12.994 -11.516
  355   2HG   GLU  40          2HG       GLU  40  -7.323 -11.626 -10.410
  356    H    THR  41           H        THR  41  -3.732 -14.076  -8.521
  357    HA   THR  41           HA       THR  41  -4.855 -15.707  -6.586
  358    HB   THR  41           HB       THR  41  -2.169 -15.111  -7.714
  359    HG1  THR  41          1HG       THR  41  -3.519 -16.755  -8.444
  360   1HG2  THR  41          1HG2      THR  41  -2.238 -16.396  -5.009
  361   2HG2  THR  41          2HG2      THR  41  -0.926 -16.571  -6.213
  362   3HG2  THR  41          3HG2      THR  41  -1.293 -14.989  -5.561
  363    H    LEU  42           H        LEU  42  -2.521 -13.004  -6.040
  364    HA   LEU  42           HA       LEU  42  -2.423 -13.301  -3.261
  365   1HB   LEU  42          1HB       LEU  42  -1.880 -11.097  -5.264
  366   2HB   LEU  42          2HB       LEU  42  -1.995 -10.601  -3.598
  367    HG   LEU  42           HG       LEU  42  -0.261 -12.960  -4.340
  368   1HD1  LEU  42          3HD1      LEU  42   0.373 -10.985  -5.830
  369   2HD1  LEU  42          1HD1      LEU  42   0.825 -10.133  -4.345
  370   3HD1  LEU  42          2HD1      LEU  42   1.642 -11.631  -4.785
  371   1HD2  LEU  42          2HD2      LEU  42  -0.346 -10.831  -2.163
  372   2HD2  LEU  42          3HD2      LEU  42  -0.574 -12.578  -1.955
  373   3HD2  LEU  42          1HD2      LEU  42   1.031 -11.910  -2.338
  374    H    VAL  43           H        VAL  43  -4.488 -11.089  -5.159
  375    HA   VAL  43           HA       VAL  43  -5.711  -9.986  -2.833
  376    HB   VAL  43           HB       VAL  43  -6.588 -10.077  -5.749
  377   1HG1  VAL  43          1HG1      VAL  43  -7.852  -8.828  -3.290
  378   2HG1  VAL  43          2HG1      VAL  43  -8.142  -8.183  -4.916
  379   3HG1  VAL  43          3HG1      VAL  43  -8.599  -9.854  -4.510
  380   1HG2  VAL  43          2HG2      VAL  43  -5.411  -7.853  -4.003
  381   2HG2  VAL  43          3HG2      VAL  43  -4.539  -8.747  -5.262
  382   3HG2  VAL  43          1HG2      VAL  43  -5.897  -7.702  -5.702
  383    H    GLU  44           H        GLU  44  -6.737 -12.618  -5.036
  384    HA   GLU  44           HA       GLU  44  -9.243 -13.090  -3.802
  385   1HB   GLU  44          1HB       GLU  44  -8.826 -13.959  -5.984
  386   2HB   GLU  44          2HB       GLU  44  -7.310 -14.736  -5.487
  387   1HG   GLU  44          1HG       GLU  44  -9.099 -16.329  -5.964
  388   2HG   GLU  44          2HG       GLU  44  -8.421 -16.466  -4.338
  389    H    GLU  45           H        GLU  45  -6.096 -14.822  -3.283
  390    HA   GLU  45           HA       GLU  45  -7.262 -16.649  -1.437
  391   1HB   GLU  45          1HB       GLU  45  -4.630 -16.064  -2.469
  392   2HB   GLU  45          2HB       GLU  45  -4.547 -16.437  -0.767
  393   1HG   GLU  45          1HG       GLU  45  -5.887 -18.273  -2.733
  394   2HG   GLU  45          2HG       GLU  45  -4.208 -18.379  -2.278
  395    H    CYS  46           H        CYS  46  -5.644 -13.473  -1.121
  396    HA   CYS  46           HA       CYS  46  -5.521 -13.250   1.703
  397   1HB   CYS  46          1HB       CYS  46  -4.616 -11.455   0.005
  398   2HB   CYS  46          2HB       CYS  46  -6.265 -11.002  -0.240
  399    HG   CYS  46           HG       CYS  46  -6.875 -10.576   2.301
  400    H    ASN  47           H        ASN  47  -8.005 -12.004  -0.545
  401    HA   ASN  47           HA       ASN  47  -9.888 -11.062   1.290
  402   1HB   ASN  47          1HB       ASN  47 -10.035 -12.077  -1.571
  403   2HB   ASN  47          2HB       ASN  47 -11.504 -11.614  -0.751
  404   1HD2  ASN  47          2HD2      ASN  47 -10.090  -8.611  -2.551
  405   2HD2  ASN  47          1HD2      ASN  47 -10.530 -10.248  -3.050
  406    H    ARG  48           H        ARG  48  -9.700 -14.262  -0.205
  407    HA   ARG  48           HA       ARG  48 -11.960 -15.481   0.913
  408   1HB   ARG  48          1HB       ARG  48 -10.409 -16.251  -0.909
  409   2HB   ARG  48          2HB       ARG  48  -9.222 -16.685   0.322
  410   1HG   ARG  48          1HG       ARG  48 -10.952 -18.272   1.294
  411   2HG   ARG  48          2HG       ARG  48 -11.963 -17.915  -0.125
  412   1HD   ARG  48          1HD       ARG  48  -9.118 -19.030  -0.140
  413   2HD   ARG  48          2HD       ARG  48 -10.578 -19.942  -0.509
  414    HE   ARG  48           HE       ARG  48 -10.657 -17.824  -2.350
  415   1HH1  ARG  48          2HH2      ARG  48  -7.911 -19.841  -1.654
  416   2HH1  ARG  48          1HH2      ARG  48  -7.666 -20.367  -3.280
  417   1HH2  ARG  48          2HH1      ARG  48 -10.208 -18.207  -4.450
  418   2HH2  ARG  48          1HH1      ARG  48  -8.956 -19.296  -4.986
  419    H    ALA  49           H        ALA  49  -8.550 -15.498   2.098
  420    HA   ALA  49           HA       ALA  49  -9.108 -16.752   4.580
  421   1HB   ALA  49          2HB       ALA  49  -6.896 -16.620   3.616
  422   2HB   ALA  49          3HB       ALA  49  -6.856 -14.853   3.820
  423   3HB   ALA  49          1HB       ALA  49  -6.876 -15.909   5.244
  424    H    GLU  50           H        GLU  50  -9.172 -13.344   3.639
  425    HA   GLU  50           HA       GLU  50  -9.220 -12.186   6.254
  426   1HB   GLU  50          1HB       GLU  50  -8.384 -11.070   4.253
  427   2HB   GLU  50          2HB       GLU  50  -9.979 -11.180   3.492
  428   1HG   GLU  50          1HG       GLU  50  -9.582  -8.949   4.241
  429   2HG   GLU  50          2HG       GLU  50 -10.891  -9.691   5.169
  430    H    CYS  51           H        CYS  51 -11.726 -13.220   3.913
  431    HA   CYS  51           HA       CYS  51 -13.937 -12.374   5.490
  432   1HB   CYS  51          1HB       CYS  51 -15.225 -13.287   3.938
  433   2HB   CYS  51          2HB       CYS  51 -13.757 -13.533   3.024
  434    HG   CYS  51           HG       CYS  51 -13.374 -15.983   3.751
  435    H    ILE  52           H        ILE  52 -11.918 -15.339   5.623
  436    HA   ILE  52           HA       ILE  52 -13.600 -16.617   7.584
  437    HB   ILE  52           HB       ILE  52 -10.717 -17.159   6.807
  438   1HG1  ILE  52          1HG1      ILE  52 -13.304 -18.613   6.090
  439   2HG1  ILE  52          2HG1      ILE  52 -12.475 -17.472   5.032
  440   1HG2  ILE  52          3HG2      ILE  52 -11.165 -17.995   9.103
  441   2HG2  ILE  52          1HG2      ILE  52 -12.622 -18.821   8.513
  442   3HG2  ILE  52          2HG2      ILE  52 -11.008 -19.328   7.976
  443   1HD1  ILE  52          2HD1      ILE  52 -10.440 -18.915   5.065
  444   2HD1  ILE  52          3HD1      ILE  52 -11.375 -20.145   5.951
  445   3HD1  ILE  52          1HD1      ILE  52 -11.870 -19.658   4.327
  446    H    GLN  53           H        GLN  53 -10.798 -14.435   7.752
  447    HA   GLN  53           HA       GLN  53 -10.237 -14.540  10.503
  448   1HB   GLN  53          1HB       GLN  53 -10.242 -12.062   8.722
  449   2HB   GLN  53          2HB       GLN  53  -9.604 -12.130  10.350
  450   1HG   GLN  53          1HG       GLN  53  -8.086 -14.048   9.607
  451   2HG   GLN  53          2HG       GLN  53  -8.546 -13.677   7.957
  452   1HE2  GLN  53          2HE2      GLN  53  -6.981 -10.320   8.152
  453   2HE2  GLN  53          1HE2      GLN  53  -8.646 -10.775   8.146
  454    H    ARG  54           H        ARG  54 -13.147 -13.266   8.988
  455    HA   ARG  54           HA       ARG  54 -14.162 -12.484  11.681
  456   1HB   ARG  54          1HB       ARG  54 -15.230 -10.609  10.634
  457   2HB   ARG  54          2HB       ARG  54 -13.484 -10.589  10.298
  458   1HG   ARG  54          1HG       ARG  54 -13.994 -11.665   8.036
  459   2HG   ARG  54          2HG       ARG  54 -15.701 -11.332   8.366
  460   1HD   ARG  54          1HD       ARG  54 -13.360  -9.403   8.239
  461   2HD   ARG  54          2HD       ARG  54 -14.632  -9.541   7.026
  462    HE   ARG  54           HE       ARG  54 -14.724  -8.380   9.783
  463   1HH1  ARG  54          2HH2      ARG  54 -16.340  -8.709   6.664
  464   2HH1  ARG  54          1HH2      ARG  54 -17.668  -7.651   7.055
  465   1HH2  ARG  54          2HH1      ARG  54 -16.677  -7.291  10.455
  466   2HH2  ARG  54          1HH1      ARG  54 -17.856  -6.824   9.261
  467    H    GLY  55           H        GLY  55 -14.409 -14.950   9.757
  468   1HA   GLY  55          1HA       GLY  55 -16.045 -16.412   9.128
  469   2HA   GLY  55          2HA       GLY  55 -16.926 -15.817  10.545
  470    H    VAL  56           H        VAL  56 -16.082 -13.995   7.571
  471    HA   VAL  56           HA       VAL  56 -18.961 -13.619   6.916
  472    HB   VAL  56           HB       VAL  56 -16.350 -12.659   5.749
  473   1HG1  VAL  56          1HG1      VAL  56 -19.041 -12.610   4.289
  474   2HG1  VAL  56          2HG1      VAL  56 -17.684 -11.550   3.899
  475   3HG1  VAL  56          3HG1      VAL  56 -17.502 -13.287   3.697
  476   1HG2  VAL  56          3HG2      VAL  56 -17.697 -11.422   7.515
  477   2HG2  VAL  56          1HG2      VAL  56 -17.331 -10.524   6.015
  478   3HG2  VAL  56          2HG2      VAL  56 -18.953 -11.209   6.276
  479    H    SER  57           H        SER  57 -19.885 -14.546   5.018
  480    HA   SER  57           HA       SER  57 -19.345 -17.291   4.673
  481   1HB   SER  57          1HB       SER  57 -21.263 -15.336   3.807
  482   2HB   SER  57          2HB       SER  57 -20.772 -16.278   2.398
  483    HG   SER  57           HG       SER  57 -22.526 -17.205   3.663
  484    HA   PRO  58           HA       PRO  58 -15.813 -16.970   1.921
  485   1HB   PRO  58          1HB       PRO  58 -16.053 -19.288   0.423
  486   2HB   PRO  58          2HB       PRO  58 -15.434 -19.209   2.095
  487   1HG   PRO  58          1HG       PRO  58 -18.237 -19.904   1.196
  488   2HG   PRO  58          2HG       PRO  58 -17.230 -20.743   2.410
  489   1HD   PRO  58          1HD       PRO  58 -19.144 -18.978   3.146
  490   2HD   PRO  58          2HD       PRO  58 -17.582 -19.008   4.014
  491    H    SER  59           H        SER  59 -18.926 -17.863   0.433
  492    HA   SER  59           HA       SER  59 -18.446 -17.009  -2.213
  493   1HB   SER  59          1HB       SER  59 -21.060 -16.680  -2.007
  494   2HB   SER  59          2HB       SER  59 -20.341 -18.293  -1.888
  495    HG   SER  59           HG       SER  59 -21.773 -17.970  -0.152
  496    H    GLN  60           H        GLN  60 -18.793 -15.106   0.695
  497    HA   GLN  60           HA       GLN  60 -19.253 -12.637  -0.906
  498   1HB   GLN  60          1HB       GLN  60 -19.884 -13.171   2.027
  499   2HB   GLN  60          2HB       GLN  60 -20.234 -11.683   1.131
  500   1HG   GLN  60          1HG       GLN  60 -21.769 -12.971  -0.365
  501   2HG   GLN  60          2HG       GLN  60 -21.467 -14.428   0.596
  502   1HE2  GLN  60          2HE2      GLN  60 -24.274 -11.898   1.901
  503   2HE2  GLN  60          1HE2      GLN  60 -23.592 -11.808   0.288
  504    H    ALA  61           H        ALA  61 -16.711 -14.103  -0.403
  505    HA   ALA  61           HA       ALA  61 -15.202 -12.519   1.424
  506   1HB   ALA  61          2HB       ALA  61 -14.363 -14.668   0.616
  507   2HB   ALA  61          3HB       ALA  61 -14.234 -14.026  -1.044
  508   3HB   ALA  61          1HB       ALA  61 -13.211 -13.374   0.249
  509    H    GLN  62           H        GLN  62 -16.375 -11.788  -1.755
  510    HA   GLN  62           HA       GLN  62 -14.650  -9.438  -2.092
  511   1HB   GLN  62          1HB       GLN  62 -16.968 -10.564  -3.590
  512   2HB   GLN  62          2HB       GLN  62 -16.388  -8.940  -3.942
  513   1HG   GLN  62          1HG       GLN  62 -14.615 -11.422  -3.964
  514   2HG   GLN  62          2HG       GLN  62 -15.352 -10.707  -5.397
  515   1HE2  GLN  62          2HE2      GLN  62 -11.830  -9.390  -4.941
  516   2HE2  GLN  62          1HE2      GLN  62 -12.472 -11.024  -4.872
  517    H    GLY  63           H        GLY  63 -17.307 -10.103  -0.088
  518   1HA   GLY  63          1HA       GLY  63 -18.830  -7.698  -0.362
  519   2HA   GLY  63          2HA       GLY  63 -18.864  -8.851   0.987
  520    H    LEU  64           H        LEU  64 -16.355  -8.738   1.948
  521    HA   LEU  64           HA       LEU  64 -16.729  -6.585   3.692
  522   1HB   LEU  64          1HB       LEU  64 -15.021  -7.474   5.062
  523   2HB   LEU  64          2HB       LEU  64 -16.194  -8.634   4.569
  524    HG   LEU  64           HG       LEU  64 -13.908  -9.490   4.883
  525   1HD1  LEU  64          3HD1      LEU  64 -15.564 -10.773   3.677
  526   2HD1  LEU  64          1HD1      LEU  64 -15.053 -10.006   2.157
  527   3HD1  LEU  64          2HD1      LEU  64 -13.929 -11.025   3.039
  528   1HD2  LEU  64          1HD2      LEU  64 -13.269  -8.068   2.303
  529   2HD2  LEU  64          2HD2      LEU  64 -12.518  -7.877   3.927
  530   3HD2  LEU  64          3HD2      LEU  64 -12.298  -9.371   3.025
  531    H    GLY  65           H        GLY  65 -16.174  -5.289   1.395
  532   1HA   GLY  65          1HA       GLY  65 -14.106  -4.034   0.523
  533   2HA   GLY  65          2HA       GLY  65 -15.441  -3.116   1.199
  534    H    SER  66           H        SER  66 -15.164  -3.236   3.885
  535    HA   SER  66           HA       SER  66 -13.454  -1.288   4.703
  536   1HB   SER  66          1HB       SER  66 -15.025  -3.422   5.910
  537   2HB   SER  66          2HB       SER  66 -13.508  -3.410   6.709
  538    HG   SER  66           HG       SER  66 -13.813  -1.480   7.512
  539    H    ASN  67           H        ASN  67 -12.822  -4.743   4.710
  540    HA   ASN  67           HA       ASN  67  -9.950  -4.374   5.314
  541   1HB   ASN  67          1HB       ASN  67 -10.189  -6.296   6.759
  542   2HB   ASN  67          2HB       ASN  67 -11.260  -4.966   7.239
  543   1HD2  ASN  67          2HD2      ASN  67 -12.840  -8.592   6.452
  544   2HD2  ASN  67          1HD2      ASN  67 -11.148  -8.359   6.782
  545    H    LEU  68           H        LEU  68 -12.202  -5.839   3.110
  546    HA   LEU  68           HA       LEU  68 -10.850  -7.598   1.647
  547   1HB   LEU  68          1HB       LEU  68 -12.948  -6.150   1.072
  548   2HB   LEU  68          2HB       LEU  68 -11.811  -4.953   0.467
  549    HG   LEU  68           HG       LEU  68 -10.908  -7.063  -0.935
  550   1HD1  LEU  68          3HD1      LEU  68 -12.447  -8.653   0.217
  551   2HD1  LEU  68          1HD1      LEU  68 -13.831  -7.744  -0.412
  552   3HD1  LEU  68          2HD1      LEU  68 -12.719  -8.571  -1.529
  553   1HD2  LEU  68          3HD2      LEU  68 -13.387  -5.476  -1.590
  554   2HD2  LEU  68          1HD2      LEU  68 -11.704  -5.037  -1.957
  555   3HD2  LEU  68          2HD2      LEU  68 -12.425  -6.442  -2.752
  556    H    VAL  69           H        VAL  69  -9.119  -7.522   0.174
  557    HA   VAL  69           HA       VAL  69  -7.331  -5.135   0.245
  558    HB   VAL  69           HB       VAL  69  -6.480  -7.432   1.050
  559   1HG1  VAL  69          2HG1      VAL  69  -7.500  -8.856  -0.687
  560   2HG1  VAL  69          3HG1      VAL  69  -6.499  -8.002  -1.900
  561   3HG1  VAL  69          1HG1      VAL  69  -5.725  -8.944  -0.644
  562   1HG2  VAL  69          2HG2      VAL  69  -5.003  -5.554   0.341
  563   2HG2  VAL  69          3HG2      VAL  69  -4.359  -7.126  -0.168
  564   3HG2  VAL  69          1HG2      VAL  69  -5.152  -6.109  -1.349
  565    H    THR  70           H        THR  70  -6.590  -4.365  -1.802
  566    HA   THR  70           HA       THR  70  -7.970  -5.346  -4.244
  567    HB   THR  70           HB       THR  70  -8.104  -2.975  -4.961
  568    HG1  THR  70          1HG       THR  70  -7.883  -1.437  -3.166
  569   1HG2  THR  70          2HG2      THR  70 -10.036  -4.049  -3.749
  570   2HG2  THR  70          3HG2      THR  70  -9.429  -3.360  -2.228
  571   3HG2  THR  70          1HG2      THR  70  -9.961  -2.289  -3.536
  572    H    GLU  71           H        GLU  71  -6.638  -4.706  -6.216
  573    HA   GLU  71           HA       GLU  71  -4.080  -5.756  -6.214
  574   1HB   GLU  71          1HB       GLU  71  -5.272  -3.459  -7.829
  575   2HB   GLU  71          2HB       GLU  71  -3.705  -4.179  -8.203
  576   1HG   GLU  71          1HG       GLU  71  -4.638  -6.234  -8.888
  577   2HG   GLU  71          2HG       GLU  71  -6.211  -5.893  -8.154
  578    H    VAL  72           H        VAL  72  -4.940  -2.323  -6.073
  579    HA   VAL  72           HA       VAL  72  -2.426  -1.207  -5.895
  580    HB   VAL  72           HB       VAL  72  -4.361   0.062  -6.433
  581   1HG1  VAL  72          2HG1      VAL  72  -5.318  -0.523  -3.608
  582   2HG1  VAL  72          3HG1      VAL  72  -6.014   0.737  -4.646
  583   3HG1  VAL  72          1HG1      VAL  72  -6.116  -0.957  -5.133
  584   1HG2  VAL  72          3HG2      VAL  72  -2.412   1.192  -5.250
  585   2HG2  VAL  72          1HG2      VAL  72  -3.968   2.047  -5.212
  586   3HG2  VAL  72          2HG2      VAL  72  -3.418   1.169  -3.781
  587    H    ARG  73           H        ARG  73  -4.120  -2.876  -3.294
  588    HA   ARG  73           HA       ARG  73  -2.495  -1.677  -1.166
  589   1HB   ARG  73          1HB       ARG  73  -4.254  -4.130  -1.237
  590   2HB   ARG  73          2HB       ARG  73  -3.445  -3.511   0.191
  591   1HG   ARG  73          1HG       ARG  73  -5.689  -2.189  -1.392
  592   2HG   ARG  73          2HG       ARG  73  -5.750  -2.851   0.238
  593   1HD   ARG  73          1HD       ARG  73  -5.404  -0.743   0.909
  594   2HD   ARG  73          2HD       ARG  73  -3.719  -1.066   0.589
  595    HE   ARG  73           HE       ARG  73  -3.786   0.352  -1.266
  596   1HH1  ARG  73          2HH2      ARG  73  -7.230  -0.429  -0.436
  597   2HH1  ARG  73          1HH2      ARG  73  -7.748   1.079  -1.161
  598   1HH2  ARG  73          2HH1      ARG  73  -4.716   2.226  -2.335
  599   2HH2  ARG  73          1HH1      ARG  73  -6.453   2.405  -2.282
  600    H    VAL  74           H        VAL  74  -2.734  -4.835  -2.804
  601    HA   VAL  74           HA       VAL  74  -0.386  -6.000  -1.655
  602    HB   VAL  74           HB       VAL  74  -1.709  -6.319  -4.427
  603   1HG1  VAL  74          2HG1      VAL  74   0.578  -7.255  -4.474
  604   2HG1  VAL  74          3HG1      VAL  74   0.192  -8.228  -3.033
  605   3HG1  VAL  74          1HG1      VAL  74  -0.671  -8.498  -4.567
  606   1HG2  VAL  74          2HG2      VAL  74  -3.247  -6.877  -2.535
  607   2HG2  VAL  74          3HG2      VAL  74  -2.838  -8.271  -3.534
  608   3HG2  VAL  74          1HG2      VAL  74  -2.057  -8.070  -1.961
  609    H    TYR  75           H        TYR  75  -0.920  -3.810  -4.428
  610    HA   TYR  75           HA       TYR  75   1.675  -3.712  -5.447
  611   1HB   TYR  75          1HB       TYR  75  -0.532  -2.609  -6.262
  612   2HB   TYR  75          2HB       TYR  75  -0.056  -1.227  -5.278
  613    HD1  TYR  75          1HD       TYR  75   2.627  -0.584  -5.677
  614    HD2  TYR  75          2HD       TYR  75  -0.044  -2.445  -8.512
  615    HE1  TYR  75          1HE       TYR  75   4.332  -0.369  -7.435
  616    HE2  TYR  75          2HE       TYR  75   1.587  -1.997 -10.317
  617    HH   TYR  75           HH       TYR  75   4.852  -0.715  -9.672
  618    H    ASN  76           H        ASN  76   0.229  -1.521  -2.901
  619    HA   ASN  76           HA       ASN  76   2.775  -0.291  -2.397
  620   1HB   ASN  76          1HB       ASN  76   1.926   0.630  -0.347
  621   2HB   ASN  76          2HB       ASN  76   0.857   0.907  -1.698
  622   1HD2  ASN  76          2HD2      ASN  76  -1.876  -0.141   0.158
  623   2HD2  ASN  76          1HD2      ASN  76  -1.171   0.850  -1.123
  624    H    TRP  77           H        TRP  77   1.430  -3.339  -1.228
  625    HA   TRP  77           HA       TRP  77   3.488  -3.675   0.771
  626   1HB   TRP  77          1HB       TRP  77   1.308  -4.842   0.610
  627   2HB   TRP  77          2HB       TRP  77   1.949  -5.889  -0.630
  628    HD1  TRP  77           HD       TRP  77   1.699  -5.355   2.939
  629    HE1  TRP  77          1HE       TRP  77   2.895  -7.189   4.310
  630    HE3  TRP  77          3HE       TRP  77   4.305  -7.549  -0.833
  631    HZ2  TRP  77          2HZ       TRP  77   4.549  -9.533   3.693
  632    HZ3  TRP  77          3HZ       TRP  77   5.358  -9.736  -0.487
  633    HH2  TRP  77           HH       TRP  77   5.459 -10.772   1.740
  634    H    PHE  78           H        PHE  78   3.168  -5.419  -2.349
  635    HA   PHE  78           HA       PHE  78   5.704  -6.526  -2.486
  636   1HB   PHE  78          1HB       PHE  78   3.673  -5.812  -4.594
  637   2HB   PHE  78          2HB       PHE  78   5.270  -6.397  -5.038
  638    HD1  PHE  78          1HD       PHE  78   2.572  -7.394  -2.544
  639    HD2  PHE  78          2HD       PHE  78   5.368  -8.698  -5.575
  640    HE1  PHE  78          1HE       PHE  78   2.301  -9.735  -1.815
  641    HE2  PHE  78          2HE       PHE  78   4.904 -11.028  -4.970
  642    HZ   PHE  78           HZ       PHE  78   3.534 -11.556  -2.970
  643    H    ALA  79           H        ALA  79   4.682  -3.373  -3.882
  644    HA   ALA  79           HA       ALA  79   7.142  -2.690  -5.085
  645   1HB   ALA  79          2HB       ALA  79   5.016  -1.506  -5.449
  646   2HB   ALA  79          3HB       ALA  79   5.105  -0.819  -3.811
  647   3HB   ALA  79          1HB       ALA  79   6.325  -0.395  -5.025
  648    H    ASN  80           H        ASN  80   5.920  -2.001  -1.764
  649    HA   ASN  80           HA       ASN  80   8.338  -0.660  -0.928
  650   1HB   ASN  80          1HB       ASN  80   6.129  -0.318   0.154
  651   2HB   ASN  80          2HB       ASN  80   6.161  -1.999   0.722
  652   1HD2  ASN  80          2HD2      ASN  80   7.660  -0.895   3.723
  653   2HD2  ASN  80          1HD2      ASN  80   6.461  -1.874   2.896
  654    H    ARG  81           H        ARG  81   7.248  -3.999  -1.001
  655    HA   ARG  81           HA       ARG  81   9.210  -5.146   0.676
  656   1HB   ARG  81          1HB       ARG  81   7.026  -6.067  -0.827
  657   2HB   ARG  81          2HB       ARG  81   8.397  -6.776  -1.674
  658   1HG   ARG  81          1HG       ARG  81   7.639  -8.333  -0.021
  659   2HG   ARG  81          2HG       ARG  81   9.154  -7.641   0.596
  660   1HD   ARG  81          1HD       ARG  81   7.831  -6.049   1.967
  661   2HD   ARG  81          2HD       ARG  81   6.332  -6.722   1.356
  662    HE   ARG  81           HE       ARG  81   7.586  -8.930   2.395
  663   1HH1  ARG  81          2HH2      ARG  81   7.023  -5.708   3.769
  664   2HH1  ARG  81          1HH2      ARG  81   6.922  -6.255   5.379
  665   1HH2  ARG  81          2HH1      ARG  81   7.445  -9.686   4.360
  666   2HH2  ARG  81          1HH1      ARG  81   6.981  -8.725   5.774
  667    H    ARG  82           H        ARG  82   9.283  -4.344  -2.797
  668    HA   ARG  82           HA       ARG  82  11.881  -5.254  -3.373
  669   1HB   ARG  82          1HB       ARG  82  10.941  -2.487  -4.204
  670   2HB   ARG  82          2HB       ARG  82  12.116  -3.538  -4.992
  671   1HG   ARG  82          1HG       ARG  82  10.239  -5.150  -5.525
  672   2HG   ARG  82          2HG       ARG  82   9.109  -3.964  -4.850
  673   1HD   ARG  82          1HD       ARG  82  10.216  -2.223  -6.410
  674   2HD   ARG  82          2HD       ARG  82  10.958  -3.581  -7.243
  675    HE   ARG  82           HE       ARG  82   8.188  -2.619  -7.329
  676   1HH1  ARG  82          2HH2      ARG  82  10.226  -5.393  -8.092
  677   2HH1  ARG  82          1HH2      ARG  82   9.505  -5.618  -9.659
  678   1HH2  ARG  82          2HH1      ARG  82   7.027  -3.119  -8.988
  679   2HH2  ARG  82          1HH1      ARG  82   7.219  -4.548  -9.973
  680    H    LYS  83           H        LYS  83  10.921  -2.189  -1.735
  681    HA   LYS  83           HA       LYS  83  13.646  -1.313  -1.369
  682   1HB   LYS  83          1HB       LYS  83  11.137  -0.452   0.096
  683   2HB   LYS  83          2HB       LYS  83  12.706   0.348   0.182
  684   1HG   LYS  83          1HG       LYS  83  11.214  -0.062  -2.453
  685   2HG   LYS  83          2HG       LYS  83  10.966   1.334  -1.421
  686   1HD   LYS  83          1HD       LYS  83  13.803   0.625  -2.284
  687   2HD   LYS  83          2HD       LYS  83  12.740   1.418  -3.421
  688   1HE   LYS  83          1HE       LYS  83  13.221   2.535  -0.619
  689   2HE   LYS  83          2HE       LYS  83  14.259   2.897  -2.002
  690   1HZ   LYS  83          3HZ       LYS  83  12.429   3.820  -3.158
  691   2HZ   LYS  83          1HZ       LYS  83  11.369   3.557  -1.892
  692   3HZ   LYS  83          2HZ       LYS  83  12.661   4.573  -1.752
  693    H    GLU  84           H        GLU  84  11.417  -3.198   0.645
  694    HA   GLU  84           HA       GLU  84  13.175  -3.432   2.860
  695   1HB   GLU  84          1HB       GLU  84  10.636  -4.147   2.542
  696   2HB   GLU  84          2HB       GLU  84  11.321  -5.696   2.081
  697   1HG   GLU  84          1HG       GLU  84  12.157  -6.122   4.210
  698   2HG   GLU  84          2HG       GLU  84  12.293  -4.426   4.665
  699    H    GLU  85           H        GLU  85  13.547  -4.745  -0.340
  700    HA   GLU  85           HA       GLU  85  15.994  -6.133   0.627
  701   1HB   GLU  85          1HB       GLU  85  13.878  -7.592  -0.129
  702   2HB   GLU  85          2HB       GLU  85  14.369  -7.116  -1.761
  703   1HG   GLU  85          1HG       GLU  85  16.641  -8.081  -1.302
  704   2HG   GLU  85          2HG       GLU  85  16.118  -8.407   0.357
  705    H    ALA  86           H        ALA  86  15.467  -3.440  -0.466
  706    HA   ALA  86           HA       ALA  86  17.569  -3.515  -2.612
  707   1HB   ALA  86          1HB       ALA  86  15.432  -3.383  -3.774
  708   2HB   ALA  86          2HB       ALA  86  15.040  -1.892  -2.886
  709   3HB   ALA  86          3HB       ALA  86  16.422  -1.923  -3.971
  710    H    PHE  87           H        PHE  87  15.998  -1.756   0.026
  711    HA   PHE  87           HA       PHE  87  17.473   0.648  -0.143
  712   1HB   PHE  87          1HB       PHE  87  15.493   0.179   1.350
  713   2HB   PHE  87          2HB       PHE  87  16.510  -0.782   2.394
  714    HD1  PHE  87          2HD       PHE  87  18.435   0.372   3.666
  715    HD2  PHE  87          1HD       PHE  87  15.543   2.568   1.314
  716    HE1  PHE  87          2HE       PHE  87  19.312   2.503   4.554
  717    HE2  PHE  87          1HE       PHE  87  16.414   4.680   2.236
  718    HZ   PHE  87           HZ       PHE  87  18.344   4.655   3.800
  719    H    ARG  88           H        ARG  88  18.124  -2.207   1.980
  720    HA   ARG  88           HA       ARG  88  20.730  -1.339   2.680
  721   1HB   ARG  88          1HB       ARG  88  19.029  -3.057   3.765
  722   2HB   ARG  88          2HB       ARG  88  19.804  -4.254   2.739
  723   1HG   ARG  88          1HG       ARG  88  21.308  -2.339   4.591
  724   2HG   ARG  88          2HG       ARG  88  20.662  -3.875   5.171
  725   1HD   ARG  88          1HD       ARG  88  22.765  -3.608   2.964
  726   2HD   ARG  88          2HD       ARG  88  23.076  -3.977   4.633
  727    HE   ARG  88           HE       ARG  88  21.769  -5.694   2.578
  728   1HH1  ARG  88          2HH2      ARG  88  23.731  -5.724   5.445
  729   2HH1  ARG  88          1HH2      ARG  88  22.844  -6.966   6.312
  730   1HH2  ARG  88          2HH1      ARG  88  21.072  -7.887   3.327
  731   2HH2  ARG  88          1HH1      ARG  88  22.010  -8.523   4.657
  732    H    HIS  89           H        HIS  89  19.394  -3.420   0.191
  733    HA   HIS  89           HA       HIS  89  21.670  -4.833  -0.636
  734   1HB   HIS  89          1HB       HIS  89  18.962  -4.699  -1.294
  735   2HB   HIS  89          2HB       HIS  89  19.755  -4.176  -2.783
  736    HD1  HIS  89          1HD       HIS  89  21.241  -6.108  -4.017
  737    HD2  HIS  89          2HD       HIS  89  19.043  -7.196  -0.592
  738    HE1  HIS  89          1HE       HIS  89  21.058  -8.657  -4.033
  739    H    LYS  90           H        LYS  90  20.391  -1.631  -1.533
  740    HA   LYS  90           HA       LYS  90  22.376  -1.314  -3.679
  741   1HB   LYS  90          1HB       LYS  90  20.024  -0.367  -3.706
  742   2HB   LYS  90          2HB       LYS  90  20.571   0.829  -2.519
  743   1HG   LYS  90          1HG       LYS  90  22.474   1.347  -4.217
  744   2HG   LYS  90          2HG       LYS  90  21.564   0.317  -5.350
  745   1HD   LYS  90          1HD       LYS  90  19.520   1.843  -4.703
  746   2HD   LYS  90          2HD       LYS  90  20.727   2.953  -4.058
  747   1HE   LYS  90          1HE       LYS  90  20.453   1.963  -6.947
  748   2HE   LYS  90          2HE       LYS  90  20.209   3.613  -6.329
  749   1HZ   LYS  90          3HZ       LYS  90  22.555   3.598  -5.703
  750   2HZ   LYS  90          1HZ       LYS  90  22.786   2.189  -6.566
  751   3HZ   LYS  90          2HZ       LYS  90  22.318   3.570  -7.300
  752    H    LEU  91           H        LEU  91  21.658   0.333  -0.558
  753    HA   LEU  91           HA       LEU  91  23.831   2.059  -0.627
  754   1HB   LEU  91          1HB       LEU  91  22.082   0.947   1.566
  755   2HB   LEU  91          2HB       LEU  91  23.421   2.018   1.970
  756    HG   LEU  91           HG       LEU  91  22.525   3.871   0.959
  757   1HD1  LEU  91          1HD1      LEU  91  20.502   2.190  -0.582
  758   2HD1  LEU  91          2HD1      LEU  91  20.574   3.955  -0.543
  759   3HD1  LEU  91          3HD1      LEU  91  21.891   3.053  -1.289
  760   1HD2  LEU  91          1HD2      LEU  91  21.278   3.075   2.959
  761   2HD2  LEU  91          2HD2      LEU  91  20.259   4.042   1.866
  762   3HD2  LEU  91          3HD2      LEU  91  20.125   2.270   1.867
  763    H    ALA  92           H        ALA  92  23.553  -1.056   1.101
  764    HA   ALA  92           HA       ALA  92  25.063  -2.350   2.187
  765   1HB   ALA  92          3HB       ALA  92  25.371  -2.823  -0.232
  766   2HB   ALA  92          1HB       ALA  92  26.713  -1.658  -0.263
  767   3HB   ALA  92          2HB       ALA  92  26.843  -3.126   0.715
  768    H    MET  93           H        MET  93  25.290   0.526   2.947
  769    HA   MET  93           HA       MET  93  27.663   0.214   4.536
  770   1HB   MET  93          1HB       MET  93  27.790   1.837   2.130
  771   2HB   MET  93          2HB       MET  93  27.904   2.926   3.504
  772   1HG   MET  93          1HG       MET  93  29.594   0.465   3.031
  773   2HG   MET  93          2HG       MET  93  30.088   2.145   2.822
  774   1HE   MET  93          2HE       MET  93  31.654  -0.138   4.376
  775   2HE   MET  93          3HE       MET  93  32.266   1.524   4.184
  776   3HE   MET  93          1HE       MET  93  32.244   0.757   5.787
  777    H    ASP  94           H        ASP  94  25.019   0.042   5.184
  778    HA   ASP  94           HA       ASP  94  24.613   2.351   6.990
  779   1HB   ASP  94          1HB       ASP  94  23.278   2.955   5.002
  780   2HB   ASP  94          2HB       ASP  94  22.405   1.421   5.064
  781    H    THR  95           H        THR  95  22.838  -0.355   5.760
  782    HA   THR  95           HA       THR  95  22.471  -2.451   6.490
  783    HB   THR  95           HB       THR  95  22.882  -1.811   9.388
  784    HG1  THR  95          1HG       THR  95  24.747  -2.186   7.327
  785   1HG2  THR  95          2HG2      THR  95  21.780  -4.005   8.755
  786   2HG2  THR  95          3HG2      THR  95  23.161  -4.349   7.699
  787   3HG2  THR  95          1HG2      THR  95  23.395  -4.229   9.442
  788    H    TYR  96           H        TYR  96  20.811  -2.273   9.292
  789    HA   TYR  96           HA       TYR  96  18.602  -2.611   9.495
  790   1HB   TYR  96          1HB       TYR  96  19.086  -0.147   9.968
  791   2HB   TYR  96          2HB       TYR  96  18.346   0.235   8.432
  792    HD1  TYR  96          1HD       TYR  96  17.817  -1.720  11.588
  793    HD2  TYR  96          2HD       TYR  96  16.021   0.914   8.700
  794    HE1  TYR  96          1HE       TYR  96  16.082  -1.099  13.191
  795    HE2  TYR  96          2HE       TYR  96  14.219   1.419  10.268
  796    HH   TYR  96           HH       TYR  96  13.228   0.816  12.286
  797    H    LYS  97           H        LYS  97  16.732  -0.920   7.639
  798    HA   LYS  97           HA       LYS  97  17.101  -1.971   4.988
  799   1HB   LYS  97          1HB       LYS  97  15.048  -3.030   6.917
  800   2HB   LYS  97          2HB       LYS  97  14.452  -2.723   5.296
  801   1HG   LYS  97          1HG       LYS  97  15.618  -4.387   4.319
  802   2HG   LYS  97          2HG       LYS  97  16.992  -4.300   5.403
  803   1HD   LYS  97          1HD       LYS  97  15.802  -5.345   7.211
  804   2HD   LYS  97          2HD       LYS  97  14.285  -5.345   6.311
  805   1HE   LYS  97          1HE       LYS  97  16.755  -6.773   5.197
  806   2HE   LYS  97          2HE       LYS  97  15.782  -7.529   6.455
  807   1HZ   LYS  97          3HZ       LYS  97  13.875  -7.407   5.107
  808   2HZ   LYS  97          1HZ       LYS  97  14.702  -6.700   3.849
  809   3HZ   LYS  97          2HZ       LYS  97  15.082  -8.230   4.338
  810    H    LEU  98           H        LEU  98  16.765   0.642   6.738
  811    HA   LEU  98           HA       LEU  98  15.312   2.190   4.953
  812   1HB   LEU  98          1HB       LEU  98  13.535   0.630   6.428
  813   2HB   LEU  98          2HB       LEU  98  13.601   2.045   7.435
  814    HG   LEU  98           HG       LEU  98  13.040   2.038   4.434
  815   1HD1  LEU  98          2HD1      LEU  98  11.130   2.225   6.812
  816   2HD1  LEU  98          3HD1      LEU  98  10.667   2.422   5.111
  817   3HD1  LEU  98          1HD1      LEU  98  11.265   0.858   5.682
  818   1HD2  LEU  98          2HD2      LEU  98  12.712   4.243   6.516
  819   2HD2  LEU  98          3HD2      LEU  98  13.899   4.207   5.190
  820   3HD2  LEU  98          1HD2      LEU  98  12.172   4.314   4.824
  821    H    ASN  99           H        ASN  99  17.732   2.418   6.107
  822    HA   ASN  99           HA       ASN  99  19.136   3.470   7.440
  823   1HB   ASN  99          2HB       ASN  99  19.079   5.845   7.530
  824   2HB   ASN  99          3HB       ASN  99  18.523   5.318   5.953
  825   1HD2  ASN  99          2HD2      ASN  99  16.058   7.407   8.579
  826   2HD2  ASN  99          1HD2      ASN  99  17.347   6.339   9.135
   
  No H/Q in entry =         826
  Start of MODEL   17
    1   1H    MET   0          2H        MET   0   4.350   8.861  20.567
    2   2H    MET   0          3H        MET   0   5.911   9.365  20.502
    3   3H    MET   0          1H        MET   0   4.939   9.418  19.135
    4    HA   MET   0           HA       MET   0   6.220   7.567  18.783
    5   1HB   MET   0          2HB       MET   0   6.566   7.545  21.517
    6   2HB   MET   0          3HB       MET   0   5.416   6.229  21.354
    7   1HG   MET   0          2HG       MET   0   7.667   5.331  21.277
    8   2HG   MET   0          3HG       MET   0   6.945   5.198  19.675
    9   1HE   MET   0          1HE       MET   0   9.592   6.945  21.890
   10   2HE   MET   0          2HE       MET   0  10.336   8.102  20.766
   11   3HE   MET   0          3HE       MET   0   8.690   8.383  21.355
   12    H    ALA   1           H        ALA   1   5.151   5.499  17.937
   13    HA   ALA   1           HA       ALA   1   2.598   4.707  19.006
   14   1HB   ALA   1          2HB       ALA   1   2.612   5.892  16.201
   15   2HB   ALA   1          3HB       ALA   1   1.281   4.977  16.935
   16   3HB   ALA   1          1HB       ALA   1   1.755   6.541  17.616
   17    H    ARG   2           H        ARG   2   2.137   2.640  18.454
   18    HA   ARG   2           HA       ARG   2   4.209   0.933  18.213
   19   1HB   ARG   2          1HB       ARG   2   1.781   0.624  19.045
   20   2HB   ARG   2          2HB       ARG   2   1.351   0.257  17.392
   21   1HG   ARG   2          1HG       ARG   2   1.647  -1.860  18.322
   22   2HG   ARG   2          2HG       ARG   2   3.194  -1.581  17.525
   23   1HD   ARG   2          1HD       ARG   2   4.101  -2.145  19.519
   24   2HD   ARG   2          2HD       ARG   2   3.708  -0.527  20.033
   25    HE   ARG   2           HE       ARG   2   2.691  -3.021  20.992
   26   1HH1  ARG   2          2HH2      ARG   2   2.113   0.457  21.179
   27   2HH1  ARG   2          1HH2      ARG   2   0.633   0.264  22.077
   28   1HH2  ARG   2          2HH1      ARG   2   0.833  -3.206  22.431
   29   2HH2  ARG   2          1HH1      ARG   2   0.044  -1.708  22.860
   30    H    ILE   3           H        ILE   3   5.545   1.565  16.275
   31    HA   ILE   3           HA       ILE   3   4.543   1.045  13.629
   32    HB   ILE   3           HB       ILE   3   6.695   1.235  12.823
   33   1HG1  ILE   3          1HG1      ILE   3   7.992  -0.331  14.024
   34   2HG1  ILE   3          2HG1      ILE   3   8.765   1.247  14.073
   35   1HG2  ILE   3          1HG2      ILE   3   5.775   3.318  13.684
   36   2HG2  ILE   3          2HG2      ILE   3   6.655   3.099  15.205
   37   3HG2  ILE   3          3HG2      ILE   3   7.537   3.302  13.679
   38   1HD1  ILE   3          3HD1      ILE   3   7.929   1.561  16.402
   39   2HD1  ILE   3          1HD1      ILE   3   7.304  -0.088  16.346
   40   3HD1  ILE   3          2HD1      ILE   3   9.040   0.199  16.202
   41    H    ASP   4           H        ASP   4   5.277  -0.808  12.236
   42    HA   ASP   4           HA       ASP   4   4.845  -3.281  13.731
   43   1HB   ASP   4          1HB       ASP   4   4.904  -4.443  11.585
   44   2HB   ASP   4          2HB       ASP   4   3.612  -3.272  11.814
   45    HA   PRO   5           HA       PRO   5   9.207  -3.891  14.109
   46   1HB   PRO   5          1HB       PRO   5   9.307  -6.305  15.318
   47   2HB   PRO   5          2HB       PRO   5   8.558  -4.886  16.104
   48   1HG   PRO   5          1HG       PRO   5   7.145  -7.119  14.612
   49   2HG   PRO   5          2HG       PRO   5   6.747  -6.435  16.211
   50   1HD   PRO   5          1HD       PRO   5   5.478  -5.588  13.932
   51   2HD   PRO   5          2HD       PRO   5   5.851  -4.492  15.299
   52    H    THR   6           H        THR   6   7.368  -6.500  12.518
   53    HA   THR   6           HA       THR   6   9.521  -6.901  10.578
   54    HB   THR   6           HB       THR   6   8.734  -9.281  12.320
   55    HG1  THR   6          1HG       THR   6  10.795  -7.387  12.518
   56   1HG2  THR   6          1HG2      THR   6   9.576  -9.812  10.022
   57   2HG2  THR   6          2HG2      THR   6  11.044  -8.870  10.372
   58   3HG2  THR   6          3HG2      THR   6  10.685 -10.338  11.294
   59    H    LYS   7           H        LYS   7   6.623  -8.762  11.762
   60    HA   LYS   7           HA       LYS   7   5.760  -9.184   9.042
   61   1HB   LYS   7          1HB       LYS   7   3.983 -10.446   9.898
   62   2HB   LYS   7          2HB       LYS   7   5.483 -10.909  10.689
   63   1HG   LYS   7          1HG       LYS   7   4.600  -9.262  12.628
   64   2HG   LYS   7          2HG       LYS   7   3.060  -9.464  11.785
   65   1HD   LYS   7          1HD       LYS   7   2.985 -11.220  13.332
   66   2HD   LYS   7          2HD       LYS   7   3.565 -12.019  11.866
   67   1HE   LYS   7          1HE       LYS   7   5.971 -11.575  12.759
   68   2HE   LYS   7          2HE       LYS   7   5.210 -11.085  14.271
   69   1HZ   LYS   7          2HZ       LYS   7   4.861 -13.747  13.046
   70   2HZ   LYS   7          3HZ       LYS   7   5.965 -13.367  14.210
   71   3HZ   LYS   7          1HZ       LYS   7   4.342 -13.254  14.529
   72    H    LYS   8           H        LYS   8   5.404  -7.406   8.212
   73    HA   LYS   8           HA       LYS   8   4.184  -5.106   9.608
   74   1HB   LYS   8          1HB       LYS   8   5.479  -3.764   7.952
   75   2HB   LYS   8          2HB       LYS   8   6.477  -4.824   8.976
   76   1HG   LYS   8          1HG       LYS   8   6.533  -6.402   6.935
   77   2HG   LYS   8          2HG       LYS   8   5.779  -5.093   6.026
   78   1HD   LYS   8          1HD       LYS   8   8.445  -5.008   7.548
   79   2HD   LYS   8          2HD       LYS   8   8.236  -5.102   5.806
   80   1HE   LYS   8          1HE       LYS   8   8.750  -2.862   6.136
   81   2HE   LYS   8          2HE       LYS   8   6.994  -2.827   5.958
   82   1HZ   LYS   8          1HZ       LYS   8   6.921  -2.651   8.475
   83   2HZ   LYS   8          2HZ       LYS   8   8.529  -2.604   8.505
   84   3HZ   LYS   8          3HZ       LYS   8   7.704  -1.440   7.721
   85    H    GLY   9           H        GLY   9   3.439  -3.351   8.045
   86   1HA   GLY   9          1HA       GLY   9   2.156  -2.725   6.109
   87   2HA   GLY   9          2HA       GLY   9   1.730  -4.414   5.811
   88    H    ARG  10           H        ARG  10   1.542  -1.960   8.410
   89    HA   ARG  10           HA       ARG  10  -1.354  -2.402   8.560
   90   1HB   ARG  10          1HB       ARG  10  -1.294  -2.151  11.050
   91   2HB   ARG  10          2HB       ARG  10  -0.749  -3.706  10.420
   92   1HG   ARG  10          1HG       ARG  10   1.560  -3.206  10.829
   93   2HG   ARG  10          2HG       ARG  10   1.224  -1.502  11.159
   94   1HD   ARG  10          1HD       ARG  10   1.572  -2.629  13.275
   95   2HD   ARG  10          2HD       ARG  10  -0.117  -2.116  13.143
   96    HE   ARG  10           HE       ARG  10   0.204  -4.837  12.206
   97   1HH1  ARG  10          2HH2      ARG  10  -0.293  -2.868  15.168
   98   2HH1  ARG  10          1HH2      ARG  10  -0.791  -4.300  16.050
   99   1HH2  ARG  10          2HH1      ARG  10  -0.553  -6.559  13.493
  100   2HH2  ARG  10          1HH1      ARG  10  -0.861  -6.288  15.206
  101    H    ARG  11           H        ARG  11  -1.047  -0.562   7.053
  102    HA   ARG  11           HA       ARG  11  -0.078   1.868   8.022
  103   1HB   ARG  11          1HB       ARG  11  -1.003   0.921   5.542
  104   2HB   ARG  11          2HB       ARG  11  -2.267   2.035   6.027
  105   1HG   ARG  11          1HG       ARG  11  -0.772   3.387   4.818
  106   2HG   ARG  11          2HG       ARG  11  -0.346   3.741   6.497
  107   1HD   ARG  11          1HD       ARG  11   1.472   1.990   6.341
  108   2HD   ARG  11          2HD       ARG  11   0.991   1.710   4.667
  109    HE   ARG  11           HE       ARG  11   1.617   4.506   5.207
  110   1HH1  ARG  11          2HH2      ARG  11   2.808   1.570   3.766
  111   2HH1  ARG  11          1HH2      ARG  11   4.506   1.891   3.980
  112   1HH2  ARG  11          2HH1      ARG  11   3.865   5.266   5.025
  113   2HH2  ARG  11          1HH1      ARG  11   5.052   4.200   4.290
  114    H    ASN  12           H        ASN  12  -1.513   3.789   8.510
  115    HA   ASN  12           HA       ASN  12  -3.597   3.293  10.339
  116   1HB   ASN  12          1HB       ASN  12  -2.525   5.477  10.145
  117   2HB   ASN  12          2HB       ASN  12  -3.244   5.730   8.540
  118   1HD2  ASN  12          2HD2      ASN  12  -6.457   6.564   9.918
  119   2HD2  ASN  12          1HD2      ASN  12  -5.548   6.366   8.421
  120    H    ARG  13           H        ARG  13  -3.952   4.334   6.920
  121    HA   ARG  13           HA       ARG  13  -6.726   4.137   6.809
  122   1HB   ARG  13          1HB       ARG  13  -6.507   4.037   4.370
  123   2HB   ARG  13          2HB       ARG  13  -5.506   5.295   5.090
  124   1HG   ARG  13          1HG       ARG  13  -3.497   3.774   4.871
  125   2HG   ARG  13          2HG       ARG  13  -4.520   2.653   3.945
  126   1HD   ARG  13          1HD       ARG  13  -3.916   5.536   3.221
  127   2HD   ARG  13          2HD       ARG  13  -3.232   4.113   2.456
  128    HE   ARG  13           HE       ARG  13  -6.003   5.180   2.211
  129   1HH1  ARG  13          2HH2      ARG  13  -3.838   2.507   1.239
  130   2HH1  ARG  13          1HH2      ARG  13  -4.556   2.384  -0.339
  131   1HH2  ARG  13          2HH1      ARG  13  -6.964   4.944   0.352
  132   2HH2  ARG  13          1HH1      ARG  13  -6.320   3.926  -0.942
  133    H    PHE  14           H        PHE  14  -4.342   1.662   5.864
  134    HA   PHE  14           HA       PHE  14  -6.410  -0.459   5.821
  135   1HB   PHE  14          1HB       PHE  14  -6.009   0.467   3.576
  136   2HB   PHE  14          2HB       PHE  14  -4.272   0.329   3.794
  137    HD1  PHE  14          2HD       PHE  14  -7.212  -2.028   4.156
  138    HD2  PHE  14          1HD       PHE  14  -3.196  -1.404   2.697
  139    HE1  PHE  14          2HE       PHE  14  -7.167  -4.319   3.246
  140    HE2  PHE  14          1HE       PHE  14  -3.177  -3.702   1.800
  141    HZ   PHE  14           HZ       PHE  14  -5.159  -5.170   2.067
  142    H    LYS  15           H        LYS  15  -5.683  -2.320   6.720
  143    HA   LYS  15           HA       LYS  15  -2.791  -2.855   6.875
  144   1HB   LYS  15          1HB       LYS  15  -3.110  -3.948   9.074
  145   2HB   LYS  15          2HB       LYS  15  -3.404  -2.192   9.166
  146   1HG   LYS  15          1HG       LYS  15  -5.751  -2.467   9.243
  147   2HG   LYS  15          2HG       LYS  15  -5.671  -4.209   8.940
  148   1HD   LYS  15          1HD       LYS  15  -4.942  -4.748  10.990
  149   2HD   LYS  15          2HD       LYS  15  -4.013  -3.271  11.245
  150   1HE   LYS  15          1HE       LYS  15  -7.058  -3.349  11.319
  151   2HE   LYS  15          2HE       LYS  15  -6.022  -3.533  12.744
  152   1HZ   LYS  15          2HZ       LYS  15  -5.908  -1.147  10.985
  153   2HZ   LYS  15          3HZ       LYS  15  -6.738  -1.198  12.384
  154   3HZ   LYS  15          1HZ       LYS  15  -5.127  -1.346  12.394
  155    H    TRP  16           H        TRP  16  -2.323  -5.046   6.771
  156    HA   TRP  16           HA       TRP  16  -4.326  -6.754   5.395
  157   1HB   TRP  16          1HB       TRP  16  -1.384  -7.088   6.115
  158   2HB   TRP  16          2HB       TRP  16  -2.345  -8.218   5.162
  159    HD1  TRP  16           HD       TRP  16  -1.015  -4.583   4.917
  160    HE1  TRP  16          1HE       TRP  16  -0.553  -4.030   2.505
  161    HE3  TRP  16          3HE       TRP  16  -3.005  -8.779   2.771
  162    HZ2  TRP  16          2HZ       TRP  16  -1.043  -5.251  -0.077
  163    HZ3  TRP  16          3HZ       TRP  16  -2.997  -9.076   0.384
  164    HH2  TRP  16           HH       TRP  16  -2.100  -7.280  -1.117
  165    H    GLY  17           H        GLY  17  -5.505  -8.286   6.659
  166   1HA   GLY  17          1HA       GLY  17  -5.214  -8.031   9.533
  167   2HA   GLY  17          2HA       GLY  17  -6.398  -8.963   8.600
  168    HA   PRO  18           HA       PRO  18  -3.387 -12.092  10.353
  169   1HB   PRO  18          1HB       PRO  18  -5.286 -13.676  11.558
  170   2HB   PRO  18          2HB       PRO  18  -4.523 -12.291  12.393
  171   1HG   PRO  18          1HG       PRO  18  -7.179 -12.330  10.940
  172   2HG   PRO  18          2HG       PRO  18  -6.857 -11.701  12.575
  173   1HD   PRO  18          1HD       PRO  18  -6.961 -10.063  10.439
  174   2HD   PRO  18          2HD       PRO  18  -5.735  -9.790  11.705
  175    H    ALA  19           H        ALA  19  -3.240 -14.144   9.346
  176    HA   ALA  19           HA       ALA  19  -3.470 -15.778   7.916
  177   1HB   ALA  19          1HB       ALA  19  -5.798 -15.881   8.754
  178   2HB   ALA  19          2HB       ALA  19  -6.301 -14.931   7.327
  179   3HB   ALA  19          3HB       ALA  19  -5.511 -16.521   7.115
  180    H    SER  20           H        SER  20  -4.828 -12.724   6.749
  181    HA   SER  20           HA       SER  20  -4.074 -12.572   4.143
  182   1HB   SER  20          1HB       SER  20  -4.792 -10.801   6.065
  183   2HB   SER  20          2HB       SER  20  -3.049 -10.454   6.053
  184    HG   SER  20           HG       SER  20  -5.011 -10.110   4.109
  185    H    GLN  21           H        GLN  21  -1.899 -12.322   6.952
  186    HA   GLN  21           HA       GLN  21   0.477 -11.770   5.495
  187   1HB   GLN  21          1HB       GLN  21   0.161 -13.000   8.264
  188   2HB   GLN  21          2HB       GLN  21   1.632 -12.249   7.627
  189   1HG   GLN  21          1HG       GLN  21  -1.011 -10.800   8.135
  190   2HG   GLN  21          2HG       GLN  21   0.428 -10.779   9.148
  191   1HE2  GLN  21          2HE2      GLN  21   0.516  -8.635   5.619
  192   2HE2  GLN  21          1HE2      GLN  21  -0.636  -9.946   5.785
  193    H    GLN  22           H        GLN  22  -0.876 -14.963   6.371
  194    HA   GLN  22           HA       GLN  22   1.624 -16.330   5.751
  195   1HB   GLN  22          1HB       GLN  22   0.190 -18.381   5.501
  196   2HB   GLN  22          2HB       GLN  22   0.167 -17.611   7.096
  197   1HG   GLN  22          1HG       GLN  22  -1.907 -16.636   6.739
  198   2HG   GLN  22          2HG       GLN  22  -1.982 -17.135   5.019
  199   1HE2  GLN  22          2HE2      GLN  22  -3.686 -19.393   7.716
  200   2HE2  GLN  22          1HE2      GLN  22  -2.832 -17.957   8.264
  201    H    ILE  23           H        ILE  23  -1.276 -15.382   3.926
  202    HA   ILE  23           HA       ILE  23  -0.350 -16.686   1.527
  203    HB   ILE  23           HB       ILE  23  -2.671 -14.975   2.350
  204   1HG1  ILE  23          1HG1      ILE  23  -2.796 -17.606   0.882
  205   2HG1  ILE  23          2HG1      ILE  23  -2.184 -17.649   2.538
  206   1HG2  ILE  23          3HG2      ILE  23  -1.953 -15.680  -0.514
  207   2HG2  ILE  23          1HG2      ILE  23  -3.601 -15.291   0.023
  208   3HG2  ILE  23          2HG2      ILE  23  -2.322 -14.089   0.223
  209   1HD1  ILE  23          1HD1      ILE  23  -4.838 -16.485   1.689
  210   2HD1  ILE  23          2HD1      ILE  23  -4.556 -18.050   2.495
  211   3HD1  ILE  23          3HD1      ILE  23  -4.186 -16.530   3.352
  212    H    LEU  24           H        LEU  24  -0.132 -13.295   2.711
  213    HA   LEU  24           HA       LEU  24   1.174 -12.379   0.315
  214   1HB   LEU  24          1HB       LEU  24   1.506 -11.592   3.256
  215   2HB   LEU  24          2HB       LEU  24   2.432 -10.852   1.952
  216    HG   LEU  24           HG       LEU  24  -0.581 -10.688   2.349
  217   1HD1  LEU  24          1HD1      LEU  24   1.728  -8.694   2.207
  218   2HD1  LEU  24          2HD1      LEU  24   0.037  -8.257   2.387
  219   3HD1  LEU  24          3HD1      LEU  24   0.832  -9.210   3.651
  220   1HD2  LEU  24          1HD2      LEU  24   1.099 -10.264  -0.109
  221   2HD2  LEU  24          2HD2      LEU  24  -0.572 -10.813   0.041
  222   3HD2  LEU  24          3HD2      LEU  24  -0.180  -9.096   0.223
  223    H    PHE  25           H        PHE  25   2.582 -13.886   3.247
  224    HA   PHE  25           HA       PHE  25   5.244 -13.991   2.310
  225   1HB   PHE  25          1HB       PHE  25   3.706 -15.903   4.107
  226   2HB   PHE  25          2HB       PHE  25   5.371 -16.131   3.652
  227    HD1  PHE  25          1HD       PHE  25   4.211 -12.649   4.426
  228    HD2  PHE  25          2HD       PHE  25   6.029 -16.262   5.936
  229    HE1  PHE  25          1HE       PHE  25   4.708 -11.515   6.558
  230    HE2  PHE  25          2HE       PHE  25   6.524 -15.116   8.072
  231    HZ   PHE  25           HZ       PHE  25   5.837 -12.741   8.406
  232    H    GLN  26           H        GLN  26   2.531 -16.361   1.777
  233    HA   GLN  26           HA       GLN  26   4.125 -18.215   0.444
  234   1HB   GLN  26          1HB       GLN  26   2.251 -19.457   0.169
  235   2HB   GLN  26          2HB       GLN  26   1.634 -18.315   1.346
  236   1HG   GLN  26          1HG       GLN  26   0.693 -17.012  -0.731
  237   2HG   GLN  26          2HG       GLN  26   1.154 -18.441  -1.637
  238   1HE2  GLN  26          2HE2      GLN  26  -2.306 -19.138  -1.136
  239   2HE2  GLN  26          1HE2      GLN  26  -1.201 -18.211  -2.107
  240    H    ALA  27           H        ALA  27   2.202 -15.496  -0.957
  241    HA   ALA  27           HA       ALA  27   2.777 -16.147  -3.673
  242   1HB   ALA  27          1HB       ALA  27   2.146 -13.463  -2.369
  243   2HB   ALA  27          2HB       ALA  27   2.192 -13.779  -4.123
  244   3HB   ALA  27          3HB       ALA  27   1.001 -14.612  -3.110
  245    H    TYR  28           H        TYR  28   4.313 -13.779  -1.437
  246    HA   TYR  28           HA       TYR  28   6.387 -12.983  -3.205
  247   1HB   TYR  28          1HB       TYR  28   5.751 -11.753  -1.246
  248   2HB   TYR  28          2HB       TYR  28   6.262 -13.064  -0.175
  249    HD1  TYR  28          2HD       TYR  28   7.426 -10.383  -2.496
  250    HD2  TYR  28          1HD       TYR  28   8.619 -13.399   0.335
  251    HE1  TYR  28          2HE       TYR  28   9.749  -9.545  -2.583
  252    HE2  TYR  28          1HE       TYR  28  10.895 -12.427   0.388
  253    HH   TYR  28           HH       TYR  28  12.089 -10.248  -1.798
  254    H    GLU  29           H        GLU  29   6.073 -15.829  -1.148
  255    HA   GLU  29           HA       GLU  29   8.803 -16.653  -1.216
  256   1HB   GLU  29          1HB       GLU  29   6.905 -17.506   0.267
  257   2HB   GLU  29          2HB       GLU  29   6.371 -18.493  -1.092
  258   1HG   GLU  29          1HG       GLU  29   8.279 -19.854  -0.954
  259   2HG   GLU  29          2HG       GLU  29   9.213 -18.609  -0.134
  260    H    ARG  30           H        ARG  30   5.932 -17.509  -3.276
  261    HA   ARG  30           HA       ARG  30   7.628 -19.125  -4.927
  262   1HB   ARG  30          1HB       ARG  30   5.771 -19.863  -6.025
  263   2HB   ARG  30          2HB       ARG  30   5.151 -19.482  -4.419
  264   1HG   ARG  30          1HG       ARG  30   4.307 -17.268  -5.425
  265   2HG   ARG  30          2HG       ARG  30   4.798 -17.921  -7.006
  266   1HD   ARG  30          1HD       ARG  30   3.319 -19.941  -6.469
  267   2HD   ARG  30          2HD       ARG  30   2.703 -18.999  -5.095
  268    HE   ARG  30           HE       ARG  30   2.619 -17.642  -7.738
  269   1HH1  ARG  30          2HH2      ARG  30   0.898 -20.044  -5.813
  270   2HH1  ARG  30          1HH2      ARG  30  -0.680 -19.504  -6.264
  271   1HH2  ARG  30          2HH1      ARG  30   0.737 -17.250  -8.685
  272   2HH2  ARG  30          1HH1      ARG  30  -0.758 -18.052  -8.244
  273    H    GLN  31           H        GLN  31   5.987 -15.942  -5.541
  274    HA   GLN  31           HA       GLN  31   7.936 -15.397  -7.708
  275   1HB   GLN  31          1HB       GLN  31   5.909 -16.286  -8.707
  276   2HB   GLN  31          2HB       GLN  31   4.913 -15.113  -7.853
  277   1HG   GLN  31          1HG       GLN  31   7.146 -14.105  -9.638
  278   2HG   GLN  31          2HG       GLN  31   5.713 -14.801 -10.390
  279   1HE2  GLN  31          2HE2      GLN  31   3.575 -12.111  -9.702
  280   2HE2  GLN  31          1HE2      GLN  31   3.867 -13.628 -10.500
  281    H    LYS  32           H        LYS  32   8.709 -13.391  -7.632
  282    HA   LYS  32           HA       LYS  32   8.100 -11.883  -5.126
  283   1HB   LYS  32          1HB       LYS  32  10.568 -12.360  -6.828
  284   2HB   LYS  32          2HB       LYS  32  10.531 -11.198  -5.488
  285   1HG   LYS  32          1HG       LYS  32   9.927 -12.903  -3.894
  286   2HG   LYS  32          2HG       LYS  32   9.641 -14.108  -5.163
  287   1HD   LYS  32          1HD       LYS  32  12.210 -13.689  -5.707
  288   2HD   LYS  32          2HD       LYS  32  12.258 -13.095  -4.044
  289   1HE   LYS  32          1HE       LYS  32  11.338 -15.856  -5.043
  290   2HE   LYS  32          2HE       LYS  32  12.783 -15.514  -4.090
  291   1HZ   LYS  32          2HZ       LYS  32   9.994 -15.226  -3.126
  292   2HZ   LYS  32          3HZ       LYS  32  11.061 -16.437  -2.783
  293   3HZ   LYS  32          1HZ       LYS  32  11.367 -14.942  -2.240
  294    H    ASN  33           H        ASN  33   9.083 -11.401  -8.505
  295    HA   ASN  33           HA       ASN  33   8.707  -8.489  -8.401
  296   1HB   ASN  33          1HB       ASN  33  10.529  -9.025  -9.681
  297   2HB   ASN  33          2HB       ASN  33   9.860 -10.553 -10.241
  298   1HD2  ASN  33          2HD2      ASN  33   8.196  -9.354 -13.067
  299   2HD2  ASN  33          1HD2      ASN  33   8.057 -10.484 -11.735
  300    HA   PRO  34           HA       PRO  34   4.519 -10.014  -8.653
  301   1HB   PRO  34          1HB       PRO  34   3.055  -7.770  -8.250
  302   2HB   PRO  34          2HB       PRO  34   4.114  -8.463  -6.999
  303   1HG   PRO  34          1HG       PRO  34   4.812  -6.202  -8.914
  304   2HG   PRO  34          2HG       PRO  34   4.939  -6.198  -7.139
  305   1HD   PRO  34          1HD       PRO  34   7.069  -6.808  -8.705
  306   2HD   PRO  34          2HD       PRO  34   6.771  -7.693  -7.181
  307    H    SER  35           H        SER  35   4.377 -10.779 -10.836
  308    HA   SER  35           HA       SER  35   4.506  -9.075 -13.058
  309   1HB   SER  35          1HB       SER  35   4.957 -11.527 -13.078
  310   2HB   SER  35          2HB       SER  35   3.219 -11.851 -12.986
  311    HG   SER  35           HG       SER  35   3.787 -11.772 -15.148
  312    H    LYS  36           H        LYS  36   1.474 -10.936 -12.508
  313    HA   LYS  36           HA       LYS  36  -0.129  -8.606 -12.101
  314   1HB   LYS  36          1HB       LYS  36   0.191  -8.177 -14.430
  315   2HB   LYS  36          2HB       LYS  36   0.044  -9.883 -14.823
  316   1HG   LYS  36          1HG       LYS  36  -1.868  -8.738 -15.636
  317   2HG   LYS  36          2HG       LYS  36  -2.389  -9.840 -14.402
  318   1HD   LYS  36          1HD       LYS  36  -1.993  -6.838 -13.892
  319   2HD   LYS  36          2HD       LYS  36  -3.501  -7.573 -14.480
  320   1HE   LYS  36          1HE       LYS  36  -3.596  -9.055 -12.468
  321   2HE   LYS  36          2HE       LYS  36  -2.209  -8.183 -11.797
  322   1HZ   LYS  36          1HZ       LYS  36  -3.520  -6.192 -11.655
  323   2HZ   LYS  36          2HZ       LYS  36  -4.871  -7.081 -12.206
  324   3HZ   LYS  36          3HZ       LYS  36  -4.139  -7.473 -10.893
  325    H    GLU  37           H        GLU  37  -0.500 -11.788 -13.807
  326    HA   GLU  37           HA       GLU  37  -2.937 -12.321 -12.904
  327   1HB   GLU  37          1HB       GLU  37  -0.517 -13.665 -14.189
  328   2HB   GLU  37          2HB       GLU  37  -1.555 -14.762 -13.332
  329   1HG   GLU  37          1HG       GLU  37  -2.354 -14.513 -15.662
  330   2HG   GLU  37          2HG       GLU  37  -3.582 -13.931 -14.508
  331    H    GLU  38           H        GLU  38   0.131 -13.442 -11.570
  332    HA   GLU  38           HA       GLU  38  -0.400 -14.839  -9.301
  333   1HB   GLU  38          1HB       GLU  38   1.709 -13.202 -10.287
  334   2HB   GLU  38          2HB       GLU  38   1.344 -12.507  -8.715
  335   1HG   GLU  38          1HG       GLU  38   2.895 -14.090  -8.123
  336   2HG   GLU  38          2HG       GLU  38   1.412 -14.974  -7.836
  337    H    ARG  39           H        ARG  39  -0.859 -11.321  -9.766
  338    HA   ARG  39           HA       ARG  39  -1.284 -10.817  -7.024
  339   1HB   ARG  39          1HB       ARG  39  -2.357  -9.100  -9.293
  340   2HB   ARG  39          2HB       ARG  39  -2.115  -8.615  -7.624
  341   1HG   ARG  39          1HG       ARG  39   0.349  -8.871  -7.887
  342   2HG   ARG  39          2HG       ARG  39   0.095  -9.395  -9.562
  343   1HD   ARG  39          1HD       ARG  39  -1.236  -7.218  -9.900
  344   2HD   ARG  39          2HD       ARG  39  -0.567  -6.658  -8.366
  345    HE   ARG  39           HE       ARG  39   1.538  -7.682  -9.879
  346   1HH1  ARG  39          2HH2      ARG  39  -0.919  -5.086 -10.401
  347   2HH1  ARG  39          1HH2      ARG  39   0.210  -4.079 -11.283
  348   1HH2  ARG  39          2HH1      ARG  39   2.829  -6.371 -11.341
  349   2HH2  ARG  39          1HH1      ARG  39   2.222  -4.786 -11.852
  350    H    GLU  40           H        GLU  40  -3.469 -11.182  -9.859
  351    HA   GLU  40           HA       GLU  40  -5.816 -10.534  -8.444
  352   1HB   GLU  40          1HB       GLU  40  -5.093 -11.329 -11.120
  353   2HB   GLU  40          2HB       GLU  40  -6.549 -12.207 -10.613
  354   1HG   GLU  40          1HG       GLU  40  -7.272 -10.173 -11.624
  355   2HG   GLU  40          2HG       GLU  40  -7.569 -10.000  -9.900
  356    H    THR  41           H        THR  41  -4.403 -13.693  -9.304
  357    HA   THR  41           HA       THR  41  -5.950 -15.493  -7.850
  358    HB   THR  41           HB       THR  41  -3.116 -15.171  -8.700
  359    HG1  THR  41          1HG       THR  41  -4.686 -16.276  -9.892
  360   1HG2  THR  41          3HG2      THR  41  -3.737 -16.969  -6.361
  361   2HG2  THR  41          1HG2      THR  41  -2.438 -17.305  -7.517
  362   3HG2  THR  41          2HG2      THR  41  -2.394 -15.824  -6.577
  363    H    LEU  42           H        LEU  42  -3.165 -13.524  -6.629
  364    HA   LEU  42           HA       LEU  42  -3.319 -14.529  -4.022
  365   1HB   LEU  42          1HB       LEU  42  -1.290 -13.589  -4.737
  366   2HB   LEU  42          2HB       LEU  42  -2.066 -12.126  -5.335
  367    HG   LEU  42           HG       LEU  42  -2.562 -11.369  -3.104
  368   1HD1  LEU  42          3HD1      LEU  42  -2.604 -13.613  -1.960
  369   2HD1  LEU  42          1HD1      LEU  42  -0.855 -13.736  -2.160
  370   3HD1  LEU  42          2HD1      LEU  42  -1.544 -12.453  -1.144
  371   1HD2  LEU  42          1HD2      LEU  42  -0.478 -10.774  -4.310
  372   2HD2  LEU  42          2HD2      LEU  42  -0.284 -10.705  -2.544
  373   3HD2  LEU  42          3HD2      LEU  42   0.376 -12.071  -3.471
  374    H    VAL  43           H        VAL  43  -4.955 -11.735  -5.558
  375    HA   VAL  43           HA       VAL  43  -5.958 -10.578  -3.162
  376    HB   VAL  43           HB       VAL  43  -7.154 -10.611  -5.978
  377   1HG1  VAL  43          2HG1      VAL  43  -7.890  -9.248  -3.390
  378   2HG1  VAL  43          3HG1      VAL  43  -8.468  -8.657  -4.976
  379   3HG1  VAL  43          1HG1      VAL  43  -8.932 -10.261  -4.411
  380   1HG2  VAL  43          1HG2      VAL  43  -4.970  -9.331  -5.721
  381   2HG2  VAL  43          2HG2      VAL  43  -6.360  -8.344  -6.150
  382   3HG2  VAL  43          3HG2      VAL  43  -5.755  -8.359  -4.479
  383    H    GLU  44           H        GLU  44  -7.363 -13.018  -5.392
  384    HA   GLU  44           HA       GLU  44  -9.773 -13.457  -3.918
  385   1HB   GLU  44          1HB       GLU  44  -9.762 -14.152  -6.142
  386   2HB   GLU  44          2HB       GLU  44  -8.143 -14.862  -6.021
  387   1HG   GLU  44          1HG       GLU  44  -9.887 -16.502  -6.421
  388   2HG   GLU  44          2HG       GLU  44  -8.906 -16.818  -5.000
  389    H    GLU  45           H        GLU  45  -6.803 -15.447  -4.045
  390    HA   GLU  45           HA       GLU  45  -7.428 -17.298  -2.101
  391   1HB   GLU  45          1HB       GLU  45  -5.043 -16.445  -3.473
  392   2HB   GLU  45          2HB       GLU  45  -4.650 -16.801  -1.790
  393   1HG   GLU  45          1HG       GLU  45  -5.907 -18.986  -2.088
  394   2HG   GLU  45          2HG       GLU  45  -5.955 -18.633  -3.820
  395    H    CYS  46           H        CYS  46  -5.988 -14.112  -1.716
  396    HA   CYS  46           HA       CYS  46  -5.515 -14.198   1.115
  397   1HB   CYS  46          1HB       CYS  46  -4.611 -12.348  -0.555
  398   2HB   CYS  46          2HB       CYS  46  -6.169 -11.585  -0.345
  399    HG   CYS  46           HG       CYS  46  -6.126 -11.464   2.296
  400    H    ASN  47           H        ASN  47  -8.053 -12.707  -0.848
  401    HA   ASN  47           HA       ASN  47  -9.600 -11.590   1.225
  402   1HB   ASN  47          1HB       ASN  47 -10.194 -12.382  -1.655
  403   2HB   ASN  47          2HB       ASN  47 -11.477 -11.801  -0.618
  404   1HD2  ASN  47          2HD2      ASN  47 -10.097  -8.858  -2.425
  405   2HD2  ASN  47          1HD2      ASN  47 -10.746 -10.416  -2.937
  406    H    ARG  48           H        ARG  48  -9.703 -14.828  -0.260
  407    HA   ARG  48           HA       ARG  48 -12.033 -15.657   1.157
  408   1HB   ARG  48          1HB       ARG  48 -10.864 -16.733  -0.829
  409   2HB   ARG  48          2HB       ARG  48  -9.743 -17.480   0.295
  410   1HG   ARG  48          1HG       ARG  48 -11.368 -18.848   1.277
  411   2HG   ARG  48          2HG       ARG  48 -12.697 -17.759   0.908
  412   1HD   ARG  48          1HD       ARG  48 -11.225 -19.555  -1.052
  413   2HD   ARG  48          2HD       ARG  48 -12.891 -19.764  -0.512
  414    HE   ARG  48           HE       ARG  48 -11.865 -18.085  -2.642
  415   1HH1  ARG  48          2HH2      ARG  48 -14.462 -18.201  -0.312
  416   2HH1  ARG  48          1HH2      ARG  48 -15.367 -16.873  -0.952
  417   1HH2  ARG  48          2HH1      ARG  48 -12.855 -16.303  -3.507
  418   2HH2  ARG  48          1HH1      ARG  48 -14.440 -15.800  -3.022
  419    H    ALA  49           H        ALA  49  -8.521 -16.045   1.875
  420    HA   ALA  49           HA       ALA  49  -8.815 -17.220   4.426
  421   1HB   ALA  49          3HB       ALA  49  -6.716 -17.191   3.238
  422   2HB   ALA  49          1HB       ALA  49  -6.585 -15.428   3.402
  423   3HB   ALA  49          2HB       ALA  49  -6.516 -16.461   4.839
  424    H    GLU  50           H        GLU  50  -8.967 -13.864   3.413
  425    HA   GLU  50           HA       GLU  50  -8.861 -12.608   5.965
  426   1HB   GLU  50          1HB       GLU  50  -8.563 -11.772   3.425
  427   2HB   GLU  50          2HB       GLU  50 -10.261 -11.403   3.571
  428   1HG   GLU  50          1HG       GLU  50  -9.218  -9.410   4.145
  429   2HG   GLU  50          2HG       GLU  50  -9.494 -10.102   5.753
  430    H    CYS  51           H        CYS  51 -11.480 -13.547   3.725
  431    HA   CYS  51           HA       CYS  51 -13.738 -12.799   5.179
  432   1HB   CYS  51          1HB       CYS  51 -14.623 -13.399   3.336
  433   2HB   CYS  51          2HB       CYS  51 -13.273 -14.444   2.964
  434    HG   CYS  51           HG       CYS  51 -15.630 -15.680   2.866
  435    H    ILE  52           H        ILE  52 -11.815 -15.769   5.226
  436    HA   ILE  52           HA       ILE  52 -13.393 -17.241   7.094
  437    HB   ILE  52           HB       ILE  52 -10.538 -17.355   6.071
  438   1HG1  ILE  52          1HG1      ILE  52 -12.854 -19.278   5.808
  439   2HG1  ILE  52          2HG1      ILE  52 -12.557 -17.982   4.667
  440   1HG2  ILE  52          1HG2      ILE  52 -11.774 -19.104   8.206
  441   2HG2  ILE  52          2HG2      ILE  52 -10.287 -19.519   7.313
  442   3HG2  ILE  52          3HG2      ILE  52 -10.319 -18.102   8.348
  443   1HD1  ILE  52          1HD1      ILE  52 -10.327 -18.873   4.117
  444   2HD1  ILE  52          2HD1      ILE  52 -10.597 -20.244   5.213
  445   3HD1  ILE  52          3HD1      ILE  52 -11.611 -20.029   3.778
  446    H    GLN  53           H        GLN  53 -10.601 -15.085   7.393
  447    HA   GLN  53           HA       GLN  53  -9.893 -15.459  10.011
  448   1HB   GLN  53          1HB       GLN  53  -8.548 -13.692   9.691
  449   2HB   GLN  53          2HB       GLN  53  -9.178 -13.667   8.057
  450   1HG   GLN  53          1HG       GLN  53 -11.032 -12.131   9.031
  451   2HG   GLN  53          2HG       GLN  53  -9.941 -11.973  10.424
  452   1HE2  GLN  53          2HE2      GLN  53  -7.761 -10.401   7.511
  453   2HE2  GLN  53          1HE2      GLN  53  -7.563 -11.943   8.297
  454    H    ARG  54           H        ARG  54 -12.698 -13.533   8.881
  455    HA   ARG  54           HA       ARG  54 -13.501 -13.010  11.712
  456   1HB   ARG  54          1HB       ARG  54 -13.951 -11.629   9.127
  457   2HB   ARG  54          2HB       ARG  54 -15.438 -11.931  10.022
  458   1HG   ARG  54          1HG       ARG  54 -14.792  -9.882  10.839
  459   2HG   ARG  54          2HG       ARG  54 -14.316 -10.995  12.096
  460   1HD   ARG  54          1HD       ARG  54 -12.406  -9.566  11.881
  461   2HD   ARG  54          2HD       ARG  54 -11.967 -11.039  11.050
  462    HE   ARG  54           HE       ARG  54 -11.662  -9.783   9.157
  463   1HH1  ARG  54          2HH2      ARG  54 -13.778  -7.988  11.341
  464   2HH1  ARG  54          1HH2      ARG  54 -14.260  -6.787  10.204
  465   1HH2  ARG  54          2HH1      ARG  54 -12.122  -8.177   7.649
  466   2HH2  ARG  54          1HH1      ARG  54 -13.288  -6.907   7.955
  467    H    GLY  55           H        GLY  55 -14.380 -14.827   8.823
  468   1HA   GLY  55          1HA       GLY  55 -16.053 -16.441   8.542
  469   2HA   GLY  55          2HA       GLY  55 -16.690 -16.113  10.163
  470    H    VAL  56           H        VAL  56 -15.889 -14.378   7.137
  471    HA   VAL  56           HA       VAL  56 -18.228 -12.571   7.281
  472    HB   VAL  56           HB       VAL  56 -16.135 -13.215   5.165
  473   1HG1  VAL  56          3HG1      VAL  56 -18.318 -11.082   5.009
  474   2HG1  VAL  56          1HG1      VAL  56 -16.914 -11.155   3.948
  475   3HG1  VAL  56          2HG1      VAL  56 -18.093 -12.439   3.884
  476   1HG2  VAL  56          1HG2      VAL  56 -15.226 -11.837   6.994
  477   2HG2  VAL  56          2HG2      VAL  56 -15.306 -11.003   5.442
  478   3HG2  VAL  56          3HG2      VAL  56 -16.500 -10.614   6.681
  479    H    SER  57           H        SER  57 -19.790 -12.837   5.336
  480    HA   SER  57           HA       SER  57 -20.952 -15.344   4.913
  481   1HB   SER  57          1HB       SER  57 -20.948 -12.698   3.771
  482   2HB   SER  57          2HB       SER  57 -21.001 -13.876   2.477
  483    HG   SER  57           HG       SER  57 -22.838 -14.812   3.417
  484    HA   PRO  58           HA       PRO  58 -17.166 -17.167   3.315
  485   1HB   PRO  58          1HB       PRO  58 -18.112 -19.459   2.053
  486   2HB   PRO  58          2HB       PRO  58 -17.863 -19.261   3.806
  487   1HG   PRO  58          1HG       PRO  58 -20.443 -18.934   2.265
  488   2HG   PRO  58          2HG       PRO  58 -20.176 -19.808   3.801
  489   1HD   PRO  58          1HD       PRO  58 -21.194 -17.311   3.792
  490   2HD   PRO  58          2HD       PRO  58 -19.974 -17.760   5.024
  491    H    SER  59           H        SER  59 -19.919 -16.868   1.086
  492    HA   SER  59           HA       SER  59 -18.501 -16.884  -1.394
  493   1HB   SER  59          1HB       SER  59 -20.694 -15.522  -1.956
  494   2HB   SER  59          2HB       SER  59 -20.798 -17.238  -1.534
  495    HG   SER  59           HG       SER  59 -22.293 -15.981  -0.317
  496    H    GLN  60           H        GLN  60 -19.440 -14.357   0.929
  497    HA   GLN  60           HA       GLN  60 -18.719 -12.265  -0.966
  498   1HB   GLN  60          1HB       GLN  60 -20.838 -12.378   0.649
  499   2HB   GLN  60          2HB       GLN  60 -19.722 -11.693   1.834
  500   1HG   GLN  60          1HG       GLN  60 -20.861  -9.852   0.769
  501   2HG   GLN  60          2HG       GLN  60 -19.228  -9.860   0.108
  502   1HE2  GLN  60          2HE2      GLN  60 -22.413 -10.550  -2.354
  503   2HE2  GLN  60          1HE2      GLN  60 -22.660 -10.420  -0.622
  504    H    ALA  61           H        ALA  61 -16.538 -13.598  -0.386
  505    HA   ALA  61           HA       ALA  61 -14.763 -12.229   1.476
  506   1HB   ALA  61          1HB       ALA  61 -14.239 -14.412   0.373
  507   2HB   ALA  61          2HB       ALA  61 -14.157 -13.572  -1.198
  508   3HB   ALA  61          3HB       ALA  61 -13.007 -13.184   0.089
  509    H    GLN  62           H        GLN  62 -16.387 -11.166  -1.386
  510    HA   GLN  62           HA       GLN  62 -14.605  -8.965  -1.996
  511   1HB   GLN  62          1HB       GLN  62 -15.972  -9.589  -3.727
  512   2HB   GLN  62          2HB       GLN  62 -17.371  -9.806  -2.689
  513   1HG   GLN  62          1HG       GLN  62 -16.261  -7.126  -3.503
  514   2HG   GLN  62          2HG       GLN  62 -17.620  -7.952  -4.274
  515   1HE2  GLN  62          2HE2      GLN  62 -18.643  -5.378  -1.597
  516   2HE2  GLN  62          1HE2      GLN  62 -17.424  -5.303  -2.850
  517    H    GLY  63           H        GLY  63 -16.977  -9.630   0.493
  518   1HA   GLY  63          1HA       GLY  63 -18.118  -7.052   0.693
  519   2HA   GLY  63          2HA       GLY  63 -18.320  -8.402   1.814
  520    H    LEU  64           H        LEU  64 -15.501  -8.585   2.562
  521    HA   LEU  64           HA       LEU  64 -15.742  -6.666   4.707
  522   1HB   LEU  64          1HB       LEU  64 -13.880  -7.690   5.741
  523   2HB   LEU  64          2HB       LEU  64 -15.102  -8.837   5.272
  524    HG   LEU  64           HG       LEU  64 -12.441  -8.432   3.912
  525   1HD1  LEU  64          3HD1      LEU  64 -13.241 -10.567   5.891
  526   2HD1  LEU  64          1HD1      LEU  64 -11.764 -10.510   4.925
  527   3HD1  LEU  64          2HD1      LEU  64 -12.062  -9.265   6.111
  528   1HD2  LEU  64          2HD2      LEU  64 -14.518 -10.516   3.355
  529   2HD2  LEU  64          3HD2      LEU  64 -13.765  -9.314   2.266
  530   3HD2  LEU  64          1HD2      LEU  64 -12.805 -10.647   2.888
  531    H    GLY  65           H        GLY  65 -15.453  -5.164   2.473
  532   1HA   GLY  65          1HA       GLY  65 -13.482  -4.027   1.304
  533   2HA   GLY  65          2HA       GLY  65 -14.586  -3.045   2.254
  534    H    SER  66           H        SER  66 -13.894  -3.425   4.807
  535    HA   SER  66           HA       SER  66 -11.750  -1.658   5.136
  536   1HB   SER  66          1HB       SER  66 -13.711  -2.592   6.749
  537   2HB   SER  66          2HB       SER  66 -12.376  -3.546   7.392
  538    HG   SER  66           HG       SER  66 -11.435  -1.745   8.058
  539    H    ASN  67           H        ASN  67 -11.681  -5.227   5.398
  540    HA   ASN  67           HA       ASN  67  -8.702  -5.180   5.751
  541   1HB   ASN  67          1HB       ASN  67 -10.797  -7.318   6.147
  542   2HB   ASN  67          2HB       ASN  67  -9.099  -7.712   5.968
  543   1HD2  ASN  67          2HD2      ASN  67 -10.347  -5.661   9.349
  544   2HD2  ASN  67          1HD2      ASN  67 -11.323  -5.634   7.888
  545    H    LEU  68           H        LEU  68 -11.282  -5.981   3.511
  546    HA   LEU  68           HA       LEU  68 -10.395  -7.556   1.708
  547   1HB   LEU  68          1HB       LEU  68 -12.391  -6.025   1.546
  548   2HB   LEU  68          2HB       LEU  68 -11.318  -4.792   0.845
  549    HG   LEU  68           HG       LEU  68 -10.746  -6.732  -0.865
  550   1HD1  LEU  68          2HD1      LEU  68 -13.412  -7.628   0.259
  551   2HD1  LEU  68          3HD1      LEU  68 -12.619  -8.273  -1.202
  552   3HD1  LEU  68          1HD1      LEU  68 -11.892  -8.504   0.392
  553   1HD2  LEU  68          3HD2      LEU  68 -11.835  -4.636  -1.467
  554   2HD2  LEU  68          1HD2      LEU  68 -12.472  -6.027  -2.355
  555   3HD2  LEU  68          2HD2      LEU  68 -13.410  -5.331  -1.008
  556    H    VAL  69           H        VAL  69  -8.916  -7.959   0.326
  557    HA   VAL  69           HA       VAL  69  -6.820  -6.062  -0.383
  558    HB   VAL  69           HB       VAL  69  -6.998  -9.025  -0.985
  559   1HG1  VAL  69          1HG1      VAL  69  -5.432  -7.636  -2.408
  560   2HG1  VAL  69          2HG1      VAL  69  -4.658  -7.081  -0.915
  561   3HG1  VAL  69          3HG1      VAL  69  -4.596  -8.798  -1.373
  562   1HG2  VAL  69          1HG2      VAL  69  -5.814  -7.465   1.363
  563   2HG2  VAL  69          2HG2      VAL  69  -6.954  -8.830   1.429
  564   3HG2  VAL  69          3HG2      VAL  69  -5.284  -9.084   0.920
  565    H    THR  70           H        THR  70  -6.556  -5.443  -2.519
  566    HA   THR  70           HA       THR  70  -8.108  -6.474  -4.753
  567    HB   THR  70           HB       THR  70  -8.548  -4.074  -5.482
  568    HG1  THR  70          1HG       THR  70  -8.194  -3.592  -2.701
  569   1HG2  THR  70          1HG2      THR  70 -10.335  -5.561  -4.474
  570   2HG2  THR  70          2HG2      THR  70  -9.942  -4.889  -2.881
  571   3HG2  THR  70          3HG2      THR  70 -10.589  -3.829  -4.140
  572    H    GLU  71           H        GLU  71  -6.791  -5.848  -6.824
  573    HA   GLU  71           HA       GLU  71  -4.206  -6.592  -6.286
  574   1HB   GLU  71          1HB       GLU  71  -3.758  -6.712  -8.451
  575   2HB   GLU  71          2HB       GLU  71  -5.518  -6.785  -8.424
  576   1HG   GLU  71          1HG       GLU  71  -5.202  -5.316 -10.101
  577   2HG   GLU  71          2HG       GLU  71  -5.255  -4.137  -8.784
  578    H    VAL  72           H        VAL  72  -5.336  -3.321  -6.742
  579    HA   VAL  72           HA       VAL  72  -2.962  -1.901  -6.702
  580    HB   VAL  72           HB       VAL  72  -5.256  -0.996  -7.005
  581   1HG1  VAL  72          2HG1      VAL  72  -6.341  -2.121  -5.041
  582   2HG1  VAL  72          3HG1      VAL  72  -5.472  -1.010  -3.958
  583   3HG1  VAL  72          1HG1      VAL  72  -6.650  -0.378  -5.112
  584   1HG2  VAL  72          1HG2      VAL  72  -3.380   0.534  -6.575
  585   2HG2  VAL  72          2HG2      VAL  72  -4.900   1.177  -5.940
  586   3HG2  VAL  72          3HG2      VAL  72  -3.726   0.446  -4.828
  587    H    ARG  73           H        ARG  73  -4.487  -3.526  -3.953
  588    HA   ARG  73           HA       ARG  73  -2.833  -2.383  -1.861
  589   1HB   ARG  73          1HB       ARG  73  -4.187  -5.071  -1.877
  590   2HB   ARG  73          2HB       ARG  73  -3.745  -4.117  -0.481
  591   1HG   ARG  73          1HG       ARG  73  -5.856  -3.225  -2.529
  592   2HG   ARG  73          2HG       ARG  73  -6.145  -4.267  -1.158
  593   1HD   ARG  73          1HD       ARG  73  -4.979  -2.147   0.107
  594   2HD   ARG  73          2HD       ARG  73  -5.878  -1.379  -1.209
  595    HE   ARG  73           HE       ARG  73  -7.284  -3.523   0.274
  596   1HH1  ARG  73          2HH2      ARG  73  -6.724  -0.064   0.125
  597   2HH1  ARG  73          1HH2      ARG  73  -7.850   0.337   1.386
  598   1HH2  ARG  73          2HH1      ARG  73  -9.026  -3.082   1.544
  599   2HH2  ARG  73          1HH1      ARG  73  -9.285  -1.479   2.208
  600    H    VAL  74           H        VAL  74  -2.873  -5.353  -3.898
  601    HA   VAL  74           HA       VAL  74  -0.687  -6.718  -2.750
  602    HB   VAL  74           HB       VAL  74  -1.717  -6.785  -5.613
  603   1HG1  VAL  74          2HG1      VAL  74   0.170  -8.592  -4.129
  604   2HG1  VAL  74          3HG1      VAL  74  -0.602  -8.980  -5.683
  605   3HG1  VAL  74          1HG1      VAL  74   0.533  -7.634  -5.596
  606   1HG2  VAL  74          3HG2      VAL  74  -2.239  -8.582  -3.204
  607   2HG2  VAL  74          1HG2      VAL  74  -3.411  -7.456  -3.924
  608   3HG2  VAL  74          2HG2      VAL  74  -2.829  -8.844  -4.852
  609    H    TYR  75           H        TYR  75  -0.899  -4.504  -5.493
  610    HA   TYR  75           HA       TYR  75   1.760  -4.016  -6.100
  611   1HB   TYR  75          1HB       TYR  75  -0.618  -3.137  -6.982
  612   2HB   TYR  75          2HB       TYR  75  -0.214  -1.766  -5.986
  613    HD1  TYR  75          1HD       TYR  75   2.743  -1.427  -6.493
  614    HD2  TYR  75          2HD       TYR  75  -0.563  -2.337  -9.115
  615    HE1  TYR  75          1HE       TYR  75   3.945  -0.411  -8.386
  616    HE2  TYR  75          2HE       TYR  75   0.485  -1.029 -10.891
  617    HH   TYR  75           HH       TYR  75   2.397   0.003 -11.600
  618    H    ASN  76           H        ASN  76  -0.243  -2.254  -3.615
  619    HA   ASN  76           HA       ASN  76   1.719  -0.440  -2.741
  620   1HB   ASN  76          1HB       ASN  76  -0.502  -1.773  -1.115
  621   2HB   ASN  76          2HB       ASN  76   0.653  -0.677  -0.407
  622   1HD2  ASN  76          2HD2      ASN  76  -1.279   1.525  -3.189
  623   2HD2  ASN  76          1HD2      ASN  76  -0.324   0.153  -3.671
  624    H    TRP  77           H        TRP  77   1.115  -3.759  -1.391
  625    HA   TRP  77           HA       TRP  77   3.287  -3.307   0.493
  626   1HB   TRP  77          1HB       TRP  77   2.726  -5.122   1.588
  627   2HB   TRP  77          2HB       TRP  77   1.201  -4.888   0.733
  628    HD1  TRP  77           HD       TRP  77   0.836  -6.454  -1.390
  629    HE1  TRP  77          1HE       TRP  77   1.689  -8.805  -2.012
  630    HE3  TRP  77          3HE       TRP  77   4.559  -6.888   2.075
  631    HZ2  TRP  77          2HZ       TRP  77   3.658 -10.660  -1.047
  632    HZ3  TRP  77          3HZ       TRP  77   5.618  -9.090   2.433
  633    HH2  TRP  77           HH       TRP  77   5.280 -10.934   0.841
  634    H    PHE  78           H        PHE  78   3.019  -5.349  -2.513
  635    HA   PHE  78           HA       PHE  78   5.688  -6.303  -2.371
  636   1HB   PHE  78          1HB       PHE  78   3.822  -5.894  -4.713
  637   2HB   PHE  78          2HB       PHE  78   5.509  -6.326  -4.938
  638    HD1  PHE  78          2HD       PHE  78   6.506  -8.442  -4.153
  639    HD2  PHE  78          1HD       PHE  78   2.275  -7.680  -4.134
  640    HE1  PHE  78          2HE       PHE  78   6.047 -10.871  -4.262
  641    HE2  PHE  78          1HE       PHE  78   1.848 -10.148  -4.122
  642    HZ   PHE  78           HZ       PHE  78   3.738 -11.731  -3.990
  643    H    ALA  79           H        ALA  79   4.439  -3.160  -3.588
  644    HA   ALA  79           HA       ALA  79   6.799  -2.243  -4.788
  645   1HB   ALA  79          3HB       ALA  79   4.652  -1.032  -4.888
  646   2HB   ALA  79          1HB       ALA  79   4.811  -0.599  -3.171
  647   3HB   ALA  79          2HB       ALA  79   5.969   0.013  -4.360
  648    H    ASN  80           H        ASN  80   6.069  -2.584  -1.353
  649    HA   ASN  80           HA       ASN  80   8.606  -1.318  -0.476
  650   1HB   ASN  80          1HB       ASN  80   6.600  -1.189   0.909
  651   2HB   ASN  80          2HB       ASN  80   6.569  -2.951   1.085
  652   1HD2  ASN  80          2HD2      ASN  80   8.413  -1.104   3.930
  653   2HD2  ASN  80          1HD2      ASN  80   6.875  -0.786   3.175
  654    H    ARG  81           H        ARG  81   7.114  -4.527  -0.697
  655    HA   ARG  81           HA       ARG  81   9.544  -5.970  -0.082
  656   1HB   ARG  81          1HB       ARG  81   6.735  -6.471   0.081
  657   2HB   ARG  81          2HB       ARG  81   7.316  -7.603  -1.123
  658   1HG   ARG  81          1HG       ARG  81   7.578  -8.731   0.886
  659   2HG   ARG  81          2HG       ARG  81   9.198  -8.177   0.499
  660   1HD   ARG  81          1HD       ARG  81   8.334  -6.025   1.966
  661   2HD   ARG  81          2HD       ARG  81   7.319  -7.275   2.676
  662    HE   ARG  81           HE       ARG  81  10.349  -7.268   2.575
  663   1HH1  ARG  81          2HH2      ARG  81   7.793  -9.191   3.901
  664   2HH1  ARG  81          1HH2      ARG  81   8.331  -9.016   5.565
  665   1HH2  ARG  81          2HH1      ARG  81  11.274  -7.427   4.556
  666   2HH2  ARG  81          1HH1      ARG  81  10.654  -8.609   5.702
  667    H    ARG  82           H        ARG  82  10.329  -4.556  -2.005
  668    HA   ARG  82           HA       ARG  82  11.270  -6.497  -3.917
  669   1HB   ARG  82          1HB       ARG  82  10.698  -5.278  -5.982
  670   2HB   ARG  82          2HB       ARG  82   9.295  -5.942  -5.150
  671   1HG   ARG  82          1HG       ARG  82   8.375  -3.940  -5.536
  672   2HG   ARG  82          2HG       ARG  82   9.252  -3.462  -4.081
  673   1HD   ARG  82          1HD       ARG  82  11.151  -2.806  -5.818
  674   2HD   ARG  82          2HD       ARG  82   9.824  -2.893  -6.983
  675    HE   ARG  82           HE       ARG  82   9.158  -1.317  -4.615
  676   1HH1  ARG  82          2HH2      ARG  82  10.689  -1.112  -7.815
  677   2HH1  ARG  82          1HH2      ARG  82  10.758   0.622  -7.791
  678   1HH2  ARG  82          2HH1      ARG  82   9.139   1.025  -4.691
  679   2HH2  ARG  82          1HH1      ARG  82  10.128   1.810  -5.881
  680    H    LYS  83           H        LYS  83  11.015  -3.048  -2.953
  681    HA   LYS  83           HA       LYS  83  13.703  -2.507  -3.895
  682   1HB   LYS  83          1HB       LYS  83  11.555  -0.884  -3.233
  683   2HB   LYS  83          2HB       LYS  83  12.596  -0.699  -1.819
  684   1HG   LYS  83          1HG       LYS  83  13.073   1.013  -3.513
  685   2HG   LYS  83          2HG       LYS  83  14.469  -0.029  -3.282
  686   1HD   LYS  83          1HD       LYS  83  12.790  -1.146  -5.401
  687   2HD   LYS  83          2HD       LYS  83  13.053   0.572  -5.726
  688   1HE   LYS  83          1HE       LYS  83  15.418   0.332  -5.786
  689   2HE   LYS  83          2HE       LYS  83  15.373  -1.257  -5.043
  690   1HZ   LYS  83          3HZ       LYS  83  14.337  -2.147  -7.027
  691   2HZ   LYS  83          1HZ       LYS  83  14.381  -0.674  -7.781
  692   3HZ   LYS  83          2HZ       LYS  83  15.776  -1.405  -7.375
  693    H    GLU  84           H        GLU  84  12.244  -3.480  -0.806
  694    HA   GLU  84           HA       GLU  84  14.552  -3.600   0.791
  695   1HB   GLU  84          1HB       GLU  84  12.170  -4.160   1.455
  696   2HB   GLU  84          2HB       GLU  84  12.353  -5.699   0.592
  697   1HG   GLU  84          1HG       GLU  84  14.322  -6.225   2.095
  698   2HG   GLU  84          2HG       GLU  84  14.000  -4.749   2.986
  699    H    GLU  85           H        GLU  85  13.467  -5.759  -1.827
  700    HA   GLU  85           HA       GLU  85  15.360  -7.857  -1.328
  701   1HB   GLU  85          1HB       GLU  85  13.088  -7.900  -2.529
  702   2HB   GLU  85          2HB       GLU  85  13.923  -7.290  -3.963
  703   1HG   GLU  85          1HG       GLU  85  15.297  -9.281  -4.060
  704   2HG   GLU  85          2HG       GLU  85  14.654  -9.848  -2.501
  705    H    ALA  86           H        ALA  86  15.105  -5.477  -3.966
  706    HA   ALA  86           HA       ALA  86  17.676  -5.810  -5.073
  707   1HB   ALA  86          3HB       ALA  86  15.870  -3.390  -4.997
  708   2HB   ALA  86          1HB       ALA  86  17.308  -3.527  -6.036
  709   3HB   ALA  86          2HB       ALA  86  15.949  -4.647  -6.264
  710    H    PHE  87           H        PHE  87  16.709  -3.958  -2.219
  711    HA   PHE  87           HA       PHE  87  19.124  -2.451  -1.854
  712   1HB   PHE  87          1HB       PHE  87  17.345  -1.783  -0.498
  713   2HB   PHE  87          2HB       PHE  87  16.872  -3.408  -0.109
  714    HD1  PHE  87          1HD       PHE  87  19.642  -0.950   0.552
  715    HD2  PHE  87          2HD       PHE  87  17.381  -4.361   1.965
  716    HE1  PHE  87          1HE       PHE  87  20.772  -0.825   2.751
  717    HE2  PHE  87          2HE       PHE  87  18.628  -4.295   4.092
  718    HZ   PHE  87           HZ       PHE  87  20.362  -2.552   4.466
  719    H    ARG  88           H        ARG  88  18.189  -5.442  -0.019
  720    HA   ARG  88           HA       ARG  88  20.830  -5.657   0.907
  721   1HB   ARG  88          1HB       ARG  88  18.596  -6.550   1.847
  722   2HB   ARG  88          2HB       ARG  88  18.876  -7.988   0.871
  723   1HG   ARG  88          1HG       ARG  88  20.918  -6.836   2.859
  724   2HG   ARG  88          2HG       ARG  88  19.610  -7.899   3.368
  725   1HD   ARG  88          1HD       ARG  88  21.750  -8.708   1.343
  726   2HD   ARG  88          2HD       ARG  88  21.716  -9.127   3.054
  727    HE   ARG  88           HE       ARG  88  19.231  -9.905   2.156
  728   1HH1  ARG  88          2HH2      ARG  88  22.572 -10.764   1.509
  729   2HH1  ARG  88          1HH2      ARG  88  22.266 -12.458   1.297
  730   1HH2  ARG  88          2HH1      ARG  88  18.848 -12.046   2.161
  731   2HH2  ARG  88          1HH1      ARG  88  19.961 -13.242   1.536
  732    H    HIS  89           H        HIS  89  19.261  -6.964  -1.930
  733    HA   HIS  89           HA       HIS  89  21.023  -9.093  -2.598
  734   1HB   HIS  89          1HB       HIS  89  18.809  -8.885  -3.590
  735   2HB   HIS  89          2HB       HIS  89  19.220  -7.291  -4.241
  736    HD1  HIS  89          1HD       HIS  89  21.009 -10.731  -4.659
  737    HD2  HIS  89          2HD       HIS  89  19.598  -7.372  -6.772
  738    HE1  HIS  89          1HE       HIS  89  21.722 -11.041  -7.088
  739    H    LYS  90           H        LYS  90  21.381  -5.565  -2.793
  740    HA   LYS  90           HA       LYS  90  23.970  -6.065  -4.188
  741   1HB   LYS  90          1HB       LYS  90  22.207  -4.944  -5.689
  742   2HB   LYS  90          2HB       LYS  90  22.270  -3.578  -4.587
  743   1HG   LYS  90          1HG       LYS  90  23.672  -3.317  -6.642
  744   2HG   LYS  90          2HG       LYS  90  24.560  -3.108  -5.143
  745   1HD   LYS  90          1HD       LYS  90  25.817  -4.374  -6.857
  746   2HD   LYS  90          2HD       LYS  90  25.640  -5.239  -5.338
  747   1HE   LYS  90          1HE       LYS  90  23.677  -6.540  -6.395
  748   2HE   LYS  90          2HE       LYS  90  24.012  -5.693  -7.908
  749   1HZ   LYS  90          3HZ       LYS  90  26.191  -6.762  -7.896
  750   2HZ   LYS  90          1HZ       LYS  90  25.840  -7.515  -6.470
  751   3HZ   LYS  90          2HZ       LYS  90  24.981  -7.873  -7.819
  752    H    LEU  91           H        LEU  91  23.704  -6.401  -1.524
  753    HA   LEU  91           HA       LEU  91  25.464  -4.403  -0.683
  754   1HB   LEU  91          1HB       LEU  91  22.935  -3.612  -0.350
  755   2HB   LEU  91          2HB       LEU  91  22.989  -4.641   1.065
  756    HG   LEU  91           HG       LEU  91  24.886  -3.249   1.936
  757   1HD1  LEU  91          3HD1      LEU  91  24.380  -1.721  -0.673
  758   2HD1  LEU  91          1HD1      LEU  91  25.226  -1.020   0.720
  759   3HD1  LEU  91          2HD1      LEU  91  25.934  -2.394  -0.132
  760   1HD2  LEU  91          3HD2      LEU  91  22.448  -2.803   2.306
  761   2HD2  LEU  91          1HD2      LEU  91  23.431  -1.318   2.379
  762   3HD2  LEU  91          2HD2      LEU  91  22.461  -1.684   0.933
  763    H    ALA  92           H        ALA  92  23.336  -6.585   1.166
  764    HA   ALA  92           HA       ALA  92  23.850  -7.938   2.928
  765   1HB   ALA  92          3HB       ALA  92  24.351  -9.393   0.951
  766   2HB   ALA  92          1HB       ALA  92  26.061  -8.952   1.100
  767   3HB   ALA  92          2HB       ALA  92  25.263  -9.833   2.413
  768    H    MET  93           H        MET  93  25.357  -5.292   2.811
  769    HA   MET  93           HA       MET  93  27.134  -5.905   5.074
  770   1HB   MET  93          1HB       MET  93  28.814  -4.296   4.267
  771   2HB   MET  93          2HB       MET  93  28.646  -5.685   3.190
  772   1HG   MET  93          1HG       MET  93  27.239  -4.293   1.657
  773   2HG   MET  93          2HG       MET  93  27.458  -2.911   2.733
  774   1HE   MET  93          1HE       MET  93  29.133  -5.399   0.244
  775   2HE   MET  93          2HE       MET  93  30.790  -4.755   0.129
  776   3HE   MET  93          3HE       MET  93  30.264  -5.566   1.615
  777    H    ASP  94           H        ASP  94  24.657  -5.393   5.383
  778    HA   ASP  94           HA       ASP  94  24.641  -3.073   6.913
  779   1HB   ASP  94          1HB       ASP  94  24.319  -1.885   4.693
  780   2HB   ASP  94          2HB       ASP  94  22.816  -2.759   4.474
  781    H    THR  95           H        THR  95  22.214  -4.660   4.914
  782    HA   THR  95           HA       THR  95  20.245  -5.681   5.317
  783    HB   THR  95           HB       THR  95  20.072  -7.410   6.976
  784    HG1  THR  95          1HG       THR  95  22.347  -6.237   8.147
  785   1HG2  THR  95          3HG2      THR  95  22.757  -7.270   5.590
  786   2HG2  THR  95          1HG2      THR  95  22.195  -8.680   6.502
  787   3HG2  THR  95          2HG2      THR  95  21.276  -8.104   5.104
  788    H    TYR  96           H        TYR  96  19.815  -5.963   8.552
  789    HA   TYR  96           HA       TYR  96  17.971  -5.258   9.659
  790   1HB   TYR  96          1HB       TYR  96  19.475  -2.674   9.766
  791   2HB   TYR  96          2HB       TYR  96  18.524  -3.434  11.046
  792    HD1  TYR  96          2HD       TYR  96  19.379  -6.048  11.413
  793    HD2  TYR  96          1HD       TYR  96  21.840  -2.791  10.021
  794    HE1  TYR  96          2HE       TYR  96  21.399  -7.250  12.146
  795    HE2  TYR  96          1HE       TYR  96  23.848  -4.153  10.481
  796    HH   TYR  96           HH       TYR  96  24.689  -6.180  11.332
  797    H    LYS  97           H        LYS  97  17.335  -2.186   9.704
  798    HA   LYS  97           HA       LYS  97  14.987  -2.615   8.078
  799   1HB   LYS  97          1HB       LYS  97  13.978  -0.824   9.374
  800   2HB   LYS  97          2HB       LYS  97  14.653  -2.109  10.379
  801   1HG   LYS  97          1HG       LYS  97  16.736  -0.634  10.657
  802   2HG   LYS  97          2HG       LYS  97  15.857   0.659   9.860
  803   1HD   LYS  97          1HD       LYS  97  15.834   0.934  12.240
  804   2HD   LYS  97          2HD       LYS  97  14.171   0.597  11.707
  805   1HE   LYS  97          1HE       LYS  97  14.204  -1.606  12.575
  806   2HE   LYS  97          2HE       LYS  97  15.975  -1.673  12.650
  807   1HZ   LYS  97          1HZ       LYS  97  14.372   0.089  14.386
  808   2HZ   LYS  97          2HZ       LYS  97  14.809  -1.464  14.749
  809   3HZ   LYS  97          3HZ       LYS  97  15.978  -0.329  14.530
  810    H    LEU  98           H        LEU  98  17.123  -2.344   6.501
  811    HA   LEU  98           HA       LEU  98  18.398  -1.125   5.103
  812   1HB   LEU  98          1HB       LEU  98  15.932   0.669   4.962
  813   2HB   LEU  98          2HB       LEU  98  17.456   1.014   4.135
  814    HG   LEU  98           HG       LEU  98  17.349  -1.235   3.065
  815   1HD1  LEU  98          3HD1      LEU  98  14.495  -1.228   4.106
  816   2HD1  LEU  98          1HD1      LEU  98  15.086  -2.270   2.797
  817   3HD1  LEU  98          2HD1      LEU  98  15.747  -2.453   4.421
  818   1HD2  LEU  98          2HD2      LEU  98  16.791   0.819   1.859
  819   2HD2  LEU  98          3HD2      LEU  98  15.856  -0.569   1.287
  820   3HD2  LEU  98          1HD2      LEU  98  15.089   0.635   2.337
  821    H    ASN  99           H        ASN  99  19.650  -1.127   6.914
  822    HA   ASN  99           HA       ASN  99  21.182  -0.303   8.216
  823   1HB   ASN  99          2HB       ASN  99  21.245   1.649   6.610
  824   2HB   ASN  99          3HB       ASN  99  20.176   2.532   7.705
  825   1HD2  ASN  99          2HD2      ASN  99  24.106   1.724   8.782
  826   2HD2  ASN  99          1HD2      ASN  99  23.202   0.596   7.783
   
  No H/Q in entry =         826
  Start of MODEL   18
    1   1H    MET   0          3H        MET   0  17.118   7.995  10.353
    2   2H    MET   0          1H        MET   0  16.155   9.186  10.912
    3   3H    MET   0          2H        MET   0  17.813   9.416  10.694
    4    HA   MET   0           HA       MET   0  18.405   8.121  12.473
    5   1HB   MET   0          2HB       MET   0  15.868   9.652  13.161
    6   2HB   MET   0          3HB       MET   0  16.825   8.831  14.406
    7   1HG   MET   0          2HG       MET   0  18.078  10.906  12.605
    8   2HG   MET   0          3HG       MET   0  17.335  11.251  14.169
    9   1HE   MET   0          3HE       MET   0  20.286  12.049  13.594
   10   2HE   MET   0          1HE       MET   0  19.510  12.288  15.183
   11   3HE   MET   0          2HE       MET   0  21.101  11.498  15.081
   12    H    ALA   1           H        ALA   1  15.556   7.425  14.084
   13    HA   ALA   1           HA       ALA   1  15.701   4.604  13.207
   14   1HB   ALA   1          2HB       ALA   1  14.362   5.960  15.581
   15   2HB   ALA   1          3HB       ALA   1  14.392   4.210  15.275
   16   3HB   ALA   1          1HB       ALA   1  15.901   5.079  15.614
   17    H    ARG   2           H        ARG   2  14.023   3.616  12.150
   18    HA   ARG   2           HA       ARG   2  11.959   5.293  10.987
   19   1HB   ARG   2          1HB       ARG   2  11.244   3.208   9.863
   20   2HB   ARG   2          2HB       ARG   2  12.969   3.504   9.653
   21   1HG   ARG   2          1HG       ARG   2  13.547   1.598  10.667
   22   2HG   ARG   2          2HG       ARG   2  12.480   1.834  12.035
   23   1HD   ARG   2          1HD       ARG   2  11.589   0.733   9.321
   24   2HD   ARG   2          2HD       ARG   2  12.102  -0.207  10.725
   25    HE   ARG   2           HE       ARG   2   9.942   1.758  11.167
   26   1HH1  ARG   2          2HH2      ARG   2  10.668  -1.725  10.739
   27   2HH1  ARG   2          1HH2      ARG   2   9.577  -2.154  12.055
   28   1HH2  ARG   2          2HH1      ARG   2   8.078   1.026  12.280
   29   2HH2  ARG   2          1HH1      ARG   2   8.050  -0.664  12.784
   30    H    ILE   3           H        ILE   3  11.369   5.774  13.443
   31    HA   ILE   3           HA       ILE   3   9.666   3.769  14.664
   32    HB   ILE   3           HB       ILE   3   9.132   5.449  16.307
   33   1HG1  ILE   3          1HG1      ILE   3  10.810   7.438  14.710
   34   2HG1  ILE   3          2HG1      ILE   3   9.041   7.413  14.672
   35   1HG2  ILE   3          3HG2      ILE   3  11.268   4.160  16.398
   36   2HG2  ILE   3          1HG2      ILE   3  12.092   5.513  15.602
   37   3HG2  ILE   3          2HG2      ILE   3  11.377   5.726  17.206
   38   1HD1  ILE   3          3HD1      ILE   3   8.986   7.653  17.143
   39   2HD1  ILE   3          1HD1      ILE   3  10.751   7.873  17.136
   40   3HD1  ILE   3          2HD1      ILE   3   9.712   9.029  16.293
   41    H    ASP   4           H        ASP   4   8.958   4.739  11.894
   42    HA   ASP   4           HA       ASP   4   6.223   5.689  11.877
   43   1HB   ASP   4          1HB       ASP   4   7.532   5.756   9.865
   44   2HB   ASP   4          2HB       ASP   4   7.998   4.054  10.031
   45    HA   PRO   5           HA       PRO   5   5.449   1.689  13.913
   46   1HB   PRO   5          1HB       PRO   5   2.974   2.155  14.941
   47   2HB   PRO   5          2HB       PRO   5   4.461   2.918  15.559
   48   1HG   PRO   5          1HG       PRO   5   2.379   4.196  13.815
   49   2HG   PRO   5          2HG       PRO   5   3.307   4.888  15.157
   50   1HD   PRO   5          1HD       PRO   5   3.918   5.115  12.404
   51   2HD   PRO   5          2HD       PRO   5   5.009   5.462  13.764
   52    H    THR   6           H        THR   6   5.451   1.611  11.212
   53    HA   THR   6           HA       THR   6   4.672   0.599   9.409
   54    HB   THR   6           HB       THR   6   2.945  -1.167  11.158
   55    HG1  THR   6          1HG       THR   6   5.268  -2.239  11.121
   56   1HG2  THR   6          3HG2      THR   6   3.205  -1.413   8.606
   57   2HG2  THR   6          1HG2      THR   6   4.894  -1.817   8.900
   58   3HG2  THR   6          2HG2      THR   6   3.605  -2.850   9.567
   59    H    LYS   7           H        LYS   7   3.383   2.973   9.811
   60    HA   LYS   7           HA       LYS   7   0.884   2.595   8.391
   61   1HB   LYS   7          1HB       LYS   7  -0.653   3.558  10.090
   62   2HB   LYS   7          2HB       LYS   7  -0.035   1.968  10.475
   63   1HG   LYS   7          1HG       LYS   7   1.787   3.326  11.838
   64   2HG   LYS   7          2HG       LYS   7   0.561   4.582  11.847
   65   1HD   LYS   7          1HD       LYS   7   0.135   1.655  12.697
   66   2HD   LYS   7          2HD       LYS   7   0.548   2.919  13.828
   67   1HE   LYS   7          1HE       LYS   7  -1.994   2.926  12.131
   68   2HE   LYS   7          2HE       LYS   7  -1.874   2.340  13.795
   69   1HZ   LYS   7          1HZ       LYS   7  -1.052   4.634  14.351
   70   2HZ   LYS   7          2HZ       LYS   7  -1.555   5.087  12.833
   71   3HZ   LYS   7          3HZ       LYS   7  -2.638   4.531  13.906
   72    H    LYS   8           H        LYS   8   3.485   4.636   9.279
   73    HA   LYS   8           HA       LYS   8   1.970   7.107   8.917
   74   1HB   LYS   8          1HB       LYS   8   4.088   6.648  10.413
   75   2HB   LYS   8          2HB       LYS   8   4.964   6.977   8.916
   76   1HG   LYS   8          1HG       LYS   8   3.125   9.053   8.922
   77   2HG   LYS   8          2HG       LYS   8   3.256   8.734  10.649
   78   1HD   LYS   8          1HD       LYS   8   5.368   9.651   8.682
   79   2HD   LYS   8          2HD       LYS   8   4.753  10.477  10.122
   80   1HE   LYS   8          1HE       LYS   8   5.764   8.418  11.437
   81   2HE   LYS   8          2HE       LYS   8   6.655   8.113   9.935
   82   1HZ   LYS   8          1HZ       LYS   8   7.425  10.467  10.144
   83   2HZ   LYS   8          2HZ       LYS   8   6.789  10.457  11.683
   84   3HZ   LYS   8          3HZ       LYS   8   7.977   9.385  11.286
   85    H    GLY   9           H        GLY   9   1.426   5.681   6.594
   86   1HA   GLY   9          1HA       GLY   9   2.320   7.253   4.459
   87   2HA   GLY   9          2HA       GLY   9   3.525   5.963   4.661
   88    H    ARG  10           H        ARG  10   0.308   6.696   3.690
   89    HA   ARG  10           HA       ARG  10  -1.095   5.698   2.247
   90   1HB   ARG  10          1HB       ARG  10   1.073   3.586   1.881
   91   2HB   ARG  10          2HB       ARG  10  -0.385   3.708   0.917
   92   1HG   ARG  10          1HG       ARG  10   1.429   6.120   1.162
   93   2HG   ARG  10          2HG       ARG  10   1.879   4.798   0.087
   94   1HD   ARG  10          1HD       ARG  10  -0.805   6.206  -0.011
   95   2HD   ARG  10          2HD       ARG  10   0.589   6.694  -0.990
   96    HE   ARG  10           HE       ARG  10   0.547   4.197  -1.797
   97   1HH1  ARG  10          2HH2      ARG  10  -2.024   6.564  -1.673
   98   2HH1  ARG  10          1HH2      ARG  10  -3.146   5.676  -2.648
   99   1HH2  ARG  10          2HH1      ARG  10  -0.628   3.168  -3.254
  100   2HH2  ARG  10          1HH1      ARG  10  -2.252   3.665  -3.729
  101    H    ARG  11           H        ARG  11   0.349   3.062   4.267
  102    HA   ARG  11           HA       ARG  11  -2.011   1.582   4.263
  103   1HB   ARG  11          1HB       ARG  11   0.461   0.921   4.873
  104   2HB   ARG  11          2HB       ARG  11   0.001   1.396   6.511
  105   1HG   ARG  11          1HG       ARG  11  -0.486  -0.885   6.477
  106   2HG   ARG  11          2HG       ARG  11  -2.050  -0.187   6.117
  107   1HD   ARG  11          1HD       ARG  11  -1.988  -1.685   4.409
  108   2HD   ARG  11          2HD       ARG  11  -1.112  -0.416   3.556
  109    HE   ARG  11           HE       ARG  11   0.050  -2.754   5.077
  110   1HH1  ARG  11          2HH2      ARG  11   0.630  -0.823   2.039
  111   2HH1  ARG  11          1HH2      ARG  11   2.353  -0.964   2.291
  112   1HH2  ARG  11          2HH1      ARG  11   2.366  -2.948   5.061
  113   2HH2  ARG  11          1HH1      ARG  11   3.242  -2.271   3.705
  114    H    ASN  12           H        ASN  12  -3.562   1.321   5.931
  115    HA   ASN  12           HA       ASN  12  -3.647   2.386   8.422
  116   1HB   ASN  12          1HB       ASN  12  -3.915   4.666   6.648
  117   2HB   ASN  12          2HB       ASN  12  -5.487   4.368   7.325
  118   1HD2  ASN  12          2HD2      ASN  12  -2.470   5.259   9.975
  119   2HD2  ASN  12          1HD2      ASN  12  -2.074   4.478   8.429
  120    H    ARG  13           H        ARG  13  -5.900   2.665   5.677
  121    HA   ARG  13           HA       ARG  13  -8.202   2.091   7.346
  122   1HB   ARG  13          1HB       ARG  13  -9.480   2.115   5.287
  123   2HB   ARG  13          2HB       ARG  13  -8.356   3.484   5.332
  124   1HG   ARG  13          1HG       ARG  13  -6.816   2.093   3.840
  125   2HG   ARG  13          2HG       ARG  13  -8.132   0.927   3.664
  126   1HD   ARG  13          1HD       ARG  13  -8.659   3.836   3.052
  127   2HD   ARG  13          2HD       ARG  13  -7.761   2.838   1.925
  128    HE   ARG  13           HE       ARG  13 -10.540   2.247   2.944
  129   1HH1  ARG  13          2HH2      ARG  13  -8.429   2.553   0.120
  130   2HH1  ARG  13          1HH2      ARG  13  -9.374   1.493  -0.881
  131   1HH2  ARG  13          2HH1      ARG  13 -11.832   0.886   1.582
  132   2HH2  ARG  13          1HH1      ARG  13 -11.223   0.412   0.012
  133    H    PHE  14           H        PHE  14  -6.249   0.377   5.162
  134    HA   PHE  14           HA       PHE  14  -7.295  -2.339   5.728
  135   1HB   PHE  14          1HB       PHE  14  -7.726  -1.710   3.456
  136   2HB   PHE  14          2HB       PHE  14  -6.207  -0.853   3.289
  137    HD1  PHE  14          1HD       PHE  14  -4.044  -1.999   3.069
  138    HD2  PHE  14          2HD       PHE  14  -7.751  -4.197   3.270
  139    HE1  PHE  14          1HE       PHE  14  -2.855  -4.082   2.460
  140    HE2  PHE  14          2HE       PHE  14  -6.543  -6.266   2.699
  141    HZ   PHE  14           HZ       PHE  14  -4.092  -6.182   2.254
  142    H    LYS  15           H        LYS  15  -5.623  -3.646   6.549
  143    HA   LYS  15           HA       LYS  15  -2.846  -3.071   6.118
  144   1HB   LYS  15          1HB       LYS  15  -2.313  -3.013   8.570
  145   2HB   LYS  15          2HB       LYS  15  -3.111  -1.569   7.968
  146   1HG   LYS  15          1HG       LYS  15  -4.842  -1.758   9.342
  147   2HG   LYS  15          2HG       LYS  15  -5.163  -3.426   8.912
  148   1HD   LYS  15          1HD       LYS  15  -3.090  -2.542  10.963
  149   2HD   LYS  15          2HD       LYS  15  -4.713  -3.176  11.297
  150   1HE   LYS  15          1HE       LYS  15  -4.054  -5.281   9.978
  151   2HE   LYS  15          2HE       LYS  15  -2.391  -4.696  10.001
  152   1HZ   LYS  15          3HZ       LYS  15  -2.602  -4.728  12.501
  153   2HZ   LYS  15          1HZ       LYS  15  -4.076  -5.415  12.290
  154   3HZ   LYS  15          2HZ       LYS  15  -2.712  -6.173  11.750
  155    H    TRP  16           H        TRP  16  -1.713  -5.019   6.319
  156    HA   TRP  16           HA       TRP  16  -3.426  -7.267   5.879
  157   1HB   TRP  16          1HB       TRP  16  -0.420  -7.213   6.250
  158   2HB   TRP  16          2HB       TRP  16  -1.372  -8.506   5.526
  159    HD1  TRP  16           HD       TRP  16   0.262  -5.244   4.699
  160    HE1  TRP  16          1HE       TRP  16   0.203  -4.835   2.199
  161    HE3  TRP  16          3HE       TRP  16  -3.078  -8.866   3.412
  162    HZ2  TRP  16          2HZ       TRP  16  -1.039  -6.016  -0.107
  163    HZ3  TRP  16          3HZ       TRP  16  -3.536  -9.320   1.020
  164    HH2  TRP  16           HH       TRP  16  -2.612  -7.850  -0.736
  165    H    GLY  17           H        GLY  17  -4.170  -8.770   7.247
  166   1HA   GLY  17          1HA       GLY  17  -3.446  -8.830  10.080
  167   2HA   GLY  17          2HA       GLY  17  -4.686  -9.750   9.230
  168    HA   PRO  18           HA       PRO  18  -0.891 -12.245  10.427
  169   1HB   PRO  18          1HB       PRO  18  -2.074 -14.283  11.845
  170   2HB   PRO  18          2HB       PRO  18  -1.714 -12.703  12.570
  171   1HG   PRO  18          1HG       PRO  18  -4.349 -13.635  11.455
  172   2HG   PRO  18          2HG       PRO  18  -4.007 -12.793  12.999
  173   1HD   PRO  18          1HD       PRO  18  -4.871 -11.455  10.796
  174   2HD   PRO  18          2HD       PRO  18  -3.679 -10.736  11.922
  175    H    ALA  19           H        ALA  19  -3.906 -13.332   9.064
  176    HA   ALA  19           HA       ALA  19  -2.777 -15.964   8.232
  177   1HB   ALA  19          2HB       ALA  19  -5.585 -14.813   7.963
  178   2HB   ALA  19          3HB       ALA  19  -5.059 -16.414   7.417
  179   3HB   ALA  19          1HB       ALA  19  -5.029 -16.027   9.146
  180    H    SER  20           H        SER  20  -3.897 -12.830   7.017
  181    HA   SER  20           HA       SER  20  -3.544 -13.214   4.258
  182   1HB   SER  20          1HB       SER  20  -2.763 -10.759   5.859
  183   2HB   SER  20          2HB       SER  20  -3.280 -10.869   4.157
  184    HG   SER  20           HG       SER  20  -5.349 -11.481   4.871
  185    H    GLN  21           H        GLN  21  -1.095 -12.981   6.878
  186    HA   GLN  21           HA       GLN  21   1.131 -12.529   5.131
  187   1HB   GLN  21          1HB       GLN  21   1.256 -14.233   7.640
  188   2HB   GLN  21          2HB       GLN  21   2.586 -13.455   6.782
  189   1HG   GLN  21          1HG       GLN  21   0.382 -12.199   8.308
  190   2HG   GLN  21          2HG       GLN  21   2.097 -12.106   8.707
  191   1HE2  GLN  21          2HE2      GLN  21   0.574  -9.176   6.438
  192   2HE2  GLN  21          1HE2      GLN  21  -0.352 -10.233   7.500
  193    H    GLN  22           H        GLN  22  -0.764 -15.458   5.843
  194    HA   GLN  22           HA       GLN  22   1.215 -17.310   4.856
  195   1HB   GLN  22          1HB       GLN  22  -0.600 -17.948   6.350
  196   2HB   GLN  22          2HB       GLN  22  -1.823 -17.468   5.179
  197   1HG   GLN  22          1HG       GLN  22   0.063 -19.627   4.371
  198   2HG   GLN  22          2HG       GLN  22  -1.176 -19.969   5.596
  199   1HE2  GLN  22          2HE2      GLN  22  -4.007 -19.532   3.425
  200   2HE2  GLN  22          1HE2      GLN  22  -3.493 -19.384   5.092
  201    H    ILE  23           H        ILE  23  -1.551 -15.711   3.351
  202    HA   ILE  23           HA       ILE  23  -1.081 -16.645   0.722
  203    HB   ILE  23           HB       ILE  23  -2.426 -14.155   1.877
  204   1HG1  ILE  23          1HG1      ILE  23  -4.436 -15.360   1.019
  205   2HG1  ILE  23          2HG1      ILE  23  -3.422 -16.779   0.671
  206   1HG2  ILE  23          3HG2      ILE  23  -2.264 -15.013  -1.014
  207   2HG2  ILE  23          1HG2      ILE  23  -3.454 -13.851  -0.380
  208   3HG2  ILE  23          2HG2      ILE  23  -1.746 -13.459  -0.297
  209   1HD1  ILE  23          2HD1      ILE  23  -3.811 -15.476   3.386
  210   2HD1  ILE  23          3HD1      ILE  23  -4.742 -16.852   2.752
  211   3HD1  ILE  23          1HD1      ILE  23  -3.028 -17.051   3.037
  212    H    LEU  24           H        LEU  24  -0.124 -13.523   2.189
  213    HA   LEU  24           HA       LEU  24   1.396 -12.547  -0.033
  214   1HB   LEU  24          1HB       LEU  24   1.602 -12.188   3.019
  215   2HB   LEU  24          2HB       LEU  24   2.613 -11.309   1.905
  216    HG   LEU  24           HG       LEU  24  -0.426 -11.090   2.155
  217   1HD1  LEU  24          3HD1      LEU  24   1.919  -9.191   2.577
  218   2HD1  LEU  24          1HD1      LEU  24   0.240  -8.689   2.511
  219   3HD1  LEU  24          2HD1      LEU  24   0.767  -9.784   3.800
  220   1HD2  LEU  24          2HD2      LEU  24   1.453 -10.354  -0.038
  221   2HD2  LEU  24          3HD2      LEU  24  -0.217 -10.878  -0.124
  222   3HD2  LEU  24          1HD2      LEU  24   0.145  -9.207   0.347
  223    H    PHE  25           H        PHE  25   2.401 -14.611   2.651
  224    HA   PHE  25           HA       PHE  25   5.141 -14.479   1.892
  225   1HB   PHE  25          1HB       PHE  25   5.701 -15.985   3.565
  226   2HB   PHE  25          2HB       PHE  25   4.376 -14.954   4.069
  227    HD1  PHE  25          1HD       PHE  25   4.550 -18.408   2.690
  228    HD2  PHE  25          2HD       PHE  25   3.511 -15.806   5.960
  229    HE1  PHE  25          1HE       PHE  25   3.804 -20.346   3.993
  230    HE2  PHE  25          2HE       PHE  25   2.803 -17.766   7.293
  231    HZ   PHE  25           HZ       PHE  25   2.934 -20.050   6.303
  232    H    GLN  26           H        GLN  26   2.471 -16.727   1.279
  233    HA   GLN  26           HA       GLN  26   4.065 -18.545   0.450
  234   1HB   GLN  26          1HB       GLN  26   2.209 -19.825  -0.385
  235   2HB   GLN  26          2HB       GLN  26   1.403 -18.613   0.595
  236   1HG   GLN  26          1HG       GLN  26   0.996 -17.279  -1.500
  237   2HG   GLN  26          2HG       GLN  26   1.818 -18.560  -2.410
  238   1HE2  GLN  26          2HE2      GLN  26  -1.376 -19.612  -3.311
  239   2HE2  GLN  26          1HE2      GLN  26   0.114 -18.819  -3.758
  240    H    ALA  27           H        ALA  27   2.645 -15.923  -1.396
  241    HA   ALA  27           HA       ALA  27   3.687 -16.516  -4.005
  242   1HB   ALA  27          2HB       ALA  27   1.698 -15.093  -3.637
  243   2HB   ALA  27          3HB       ALA  27   2.743 -13.888  -2.818
  244   3HB   ALA  27          1HB       ALA  27   2.968 -14.233  -4.538
  245    H    TYR  28           H        TYR  28   4.651 -14.140  -1.395
  246    HA   TYR  28           HA       TYR  28   6.739 -13.040  -2.938
  247   1HB   TYR  28          1HB       TYR  28   5.670 -12.072  -0.852
  248   2HB   TYR  28          2HB       TYR  28   6.631 -13.185   0.097
  249    HD1  TYR  28          2HD       TYR  28   7.034 -10.713  -2.727
  250    HD2  TYR  28          1HD       TYR  28   8.753 -12.374   0.865
  251    HE1  TYR  28          2HE       TYR  28   8.918  -9.159  -2.921
  252    HE2  TYR  28          1HE       TYR  28  10.673 -10.845   0.642
  253    HH   TYR  28           HH       TYR  28  11.043  -8.656  -2.107
  254    H    GLU  29           H        GLU  29   6.613 -16.025  -1.117
  255    HA   GLU  29           HA       GLU  29   9.396 -16.523  -0.920
  256   1HB   GLU  29          1HB       GLU  29   7.376 -17.753   0.112
  257   2HB   GLU  29          2HB       GLU  29   7.235 -18.639  -1.394
  258   1HG   GLU  29          1HG       GLU  29   8.934 -20.007  -0.774
  259   2HG   GLU  29          2HG       GLU  29   9.982 -18.665  -0.319
  260    H    ARG  30           H        ARG  30   7.007 -17.548  -3.333
  261    HA   ARG  30           HA       ARG  30   8.997 -18.643  -5.118
  262   1HB   ARG  30          1HB       ARG  30   7.049 -19.347  -6.477
  263   2HB   ARG  30          2HB       ARG  30   6.988 -19.823  -4.778
  264   1HG   ARG  30          1HG       ARG  30   5.538 -17.670  -4.469
  265   2HG   ARG  30          2HG       ARG  30   5.300 -17.738  -6.195
  266   1HD   ARG  30          1HD       ARG  30   4.720 -19.968  -4.154
  267   2HD   ARG  30          2HD       ARG  30   3.530 -18.780  -4.627
  268    HE   ARG  30           HE       ARG  30   4.151 -21.153  -6.017
  269   1HH1  ARG  30          2HH2      ARG  30   3.139 -17.752  -6.492
  270   2HH1  ARG  30          1HH2      ARG  30   2.583 -18.005  -8.081
  271   1HH2  ARG  30          2HH1      ARG  30   3.094 -21.487  -8.196
  272   2HH2  ARG  30          1HH1      ARG  30   2.481 -20.036  -8.979
  273    H    GLN  31           H        GLN  31   6.644 -15.945  -5.551
  274    HA   GLN  31           HA       GLN  31   8.142 -15.038  -7.967
  275   1HB   GLN  31          1HB       GLN  31   5.313 -14.517  -7.050
  276   2HB   GLN  31          2HB       GLN  31   6.093 -13.738  -8.438
  277   1HG   GLN  31          1HG       GLN  31   6.548 -16.533  -8.777
  278   2HG   GLN  31          2HG       GLN  31   4.880 -16.400  -8.252
  279   1HE2  GLN  31          2HE2      GLN  31   3.770 -15.206 -11.425
  280   2HE2  GLN  31          1HE2      GLN  31   3.348 -15.599  -9.761
  281    H    LYS  32           H        LYS  32   9.463 -13.367  -7.684
  282    HA   LYS  32           HA       LYS  32   9.537 -12.003  -5.071
  283   1HB   LYS  32          1HB       LYS  32  11.187 -11.607  -7.620
  284   2HB   LYS  32          2HB       LYS  32  11.624 -10.989  -6.034
  285   1HG   LYS  32          1HG       LYS  32  11.521 -13.967  -6.767
  286   2HG   LYS  32          2HG       LYS  32  12.942 -12.921  -6.836
  287   1HD   LYS  32          1HD       LYS  32  13.327 -13.794  -4.782
  288   2HD   LYS  32          2HD       LYS  32  12.353 -12.394  -4.321
  289   1HE   LYS  32          1HE       LYS  32  10.314 -13.983  -4.396
  290   2HE   LYS  32          2HE       LYS  32  11.451 -15.309  -4.640
  291   1HZ   LYS  32          3HZ       LYS  32  11.556 -13.476  -2.331
  292   2HZ   LYS  32          1HZ       LYS  32  10.717 -14.886  -2.331
  293   3HZ   LYS  32          2HZ       LYS  32  12.372 -14.877  -2.479
  294    H    ASN  33           H        ASN  33   7.879 -11.406  -7.992
  295    HA   ASN  33           HA       ASN  33   7.711  -8.519  -7.529
  296   1HB   ASN  33          1HB       ASN  33   8.489  -8.052  -9.639
  297   2HB   ASN  33          2HB       ASN  33   9.542  -9.403  -9.277
  298   1HD2  ASN  33          2HD2      ASN  33   7.566 -11.668 -11.398
  299   2HD2  ASN  33          1HD2      ASN  33   8.639 -11.648 -10.026
  300    HA   PRO  34           HA       PRO  34   3.528  -9.473  -8.444
  301   1HB   PRO  34          1HB       PRO  34   2.437  -7.100  -9.190
  302   2HB   PRO  34          2HB       PRO  34   3.257  -7.290  -7.636
  303   1HG   PRO  34          1HG       PRO  34   4.427  -6.195 -10.211
  304   2HG   PRO  34          2HG       PRO  34   4.451  -5.427  -8.598
  305   1HD   PRO  34          1HD       PRO  34   6.533  -6.925  -9.568
  306   2HD   PRO  34          2HD       PRO  34   6.113  -6.909  -7.830
  307    H    SER  35           H        SER  35   4.603 -10.905 -10.267
  308    HA   SER  35           HA       SER  35   5.015 -10.165 -12.795
  309   1HB   SER  35          1HB       SER  35   3.896 -12.900 -12.012
  310   2HB   SER  35          2HB       SER  35   4.993 -12.515 -13.340
  311    HG   SER  35           HG       SER  35   6.067 -13.316 -11.453
  312    H    LYS  36           H        LYS  36   2.019 -11.994 -12.083
  313    HA   LYS  36           HA       LYS  36   0.307 -10.246 -13.536
  314   1HB   LYS  36          1HB       LYS  36  -0.258 -12.229 -15.225
  315   2HB   LYS  36          2HB       LYS  36   0.876 -10.941 -15.580
  316   1HG   LYS  36          1HG       LYS  36   2.792 -12.282 -15.223
  317   2HG   LYS  36          2HG       LYS  36   1.854 -13.635 -14.593
  318   1HD   LYS  36          1HD       LYS  36   1.221 -12.506 -17.342
  319   2HD   LYS  36          2HD       LYS  36   2.671 -13.468 -17.171
  320   1HE   LYS  36          1HE       LYS  36  -0.022 -14.507 -16.154
  321   2HE   LYS  36          2HE       LYS  36   0.443 -14.665 -17.851
  322   1HZ   LYS  36          1HZ       LYS  36   2.239 -15.653 -15.747
  323   2HZ   LYS  36          2HZ       LYS  36   1.014 -16.566 -16.302
  324   3HZ   LYS  36          3HZ       LYS  36   2.199 -16.026 -17.337
  325    H    GLU  37           H        GLU  37  -0.175 -13.612 -13.735
  326    HA   GLU  37           HA       GLU  37  -2.502 -14.108 -12.575
  327   1HB   GLU  37          1HB       GLU  37   0.172 -15.404 -13.168
  328   2HB   GLU  37          2HB       GLU  37  -0.610 -16.113 -11.811
  329   1HG   GLU  37          1HG       GLU  37  -2.509 -16.825 -13.069
  330   2HG   GLU  37          2HG       GLU  37  -2.041 -15.815 -14.458
  331    H    GLU  38           H        GLU  38   0.639 -13.997 -10.928
  332    HA   GLU  38           HA       GLU  38  -0.063 -14.769  -8.428
  333   1HB   GLU  38          1HB       GLU  38   2.249 -13.908  -9.601
  334   2HB   GLU  38          2HB       GLU  38   1.856 -12.390  -8.824
  335   1HG   GLU  38          1HG       GLU  38   3.319 -13.573  -7.363
  336   2HG   GLU  38          2HG       GLU  38   1.717 -13.639  -6.622
  337    H    ARG  39           H        ARG  39  -0.375 -11.413  -9.664
  338    HA   ARG  39           HA       ARG  39  -0.960 -10.222  -7.077
  339   1HB   ARG  39          1HB       ARG  39  -1.331  -9.513  -9.962
  340   2HB   ARG  39          2HB       ARG  39  -2.419  -8.720  -8.819
  341   1HG   ARG  39          1HG       ARG  39  -0.621  -7.792  -7.543
  342   2HG   ARG  39          2HG       ARG  39   0.599  -8.682  -8.483
  343   1HD   ARG  39          1HD       ARG  39  -1.394  -6.751  -9.780
  344   2HD   ARG  39          2HD       ARG  39   0.168  -6.223  -9.152
  345    HE   ARG  39           HE       ARG  39   1.332  -7.591 -10.728
  346   1HH1  ARG  39          2HH2      ARG  39  -2.160  -8.176 -11.372
  347   2HH1  ARG  39          1HH2      ARG  39  -1.868  -8.409 -13.012
  348   1HH2  ARG  39          2HH1      ARG  39   1.644  -7.939 -12.788
  349   2HH2  ARG  39          1HH1      ARG  39   0.380  -8.025 -13.964
  350    H    GLU  40           H        GLU  40  -2.810 -11.519  -9.741
  351    HA   GLU  40           HA       GLU  40  -5.281 -10.660  -8.815
  352   1HB   GLU  40          1HB       GLU  40  -4.095 -12.145 -11.004
  353   2HB   GLU  40          2HB       GLU  40  -5.673 -12.794 -10.582
  354   1HG   GLU  40          1HG       GLU  40  -6.245 -11.185 -12.127
  355   2HG   GLU  40          2HG       GLU  40  -6.471 -10.268 -10.639
  356    H    THR  41           H        THR  41  -3.723 -13.905  -8.817
  357    HA   THR  41           HA       THR  41  -5.389 -15.402  -7.177
  358    HB   THR  41           HB       THR  41  -2.779 -15.734  -8.296
  359    HG1  THR  41          1HG       THR  41  -4.186 -17.461  -6.512
  360   1HG2  THR  41          1HG2      THR  41  -2.522 -16.226  -5.322
  361   2HG2  THR  41          2HG2      THR  41  -1.538 -16.943  -6.603
  362   3HG2  THR  41          3HG2      THR  41  -1.504 -15.207  -6.353
  363    H    LEU  42           H        LEU  42  -2.620 -13.331  -6.143
  364    HA   LEU  42           HA       LEU  42  -2.833 -13.774  -3.428
  365   1HB   LEU  42          1HB       LEU  42  -1.814 -11.508  -5.155
  366   2HB   LEU  42          2HB       LEU  42  -1.905 -11.250  -3.450
  367    HG   LEU  42           HG       LEU  42  -0.413 -13.623  -4.648
  368   1HD1  LEU  42          3HD1      LEU  42   0.522 -11.485  -5.454
  369   2HD1  LEU  42          1HD1      LEU  42   0.680 -10.916  -3.770
  370   3HD1  LEU  42          2HD1      LEU  42   1.631 -12.295  -4.343
  371   1HD2  LEU  42          2HD2      LEU  42  -0.622 -12.340  -1.902
  372   2HD2  LEU  42          3HD2      LEU  42  -0.846 -14.051  -2.375
  373   3HD2  LEU  42          1HD2      LEU  42   0.755 -13.338  -2.325
  374    H    VAL  43           H        VAL  43  -4.732 -11.486  -5.441
  375    HA   VAL  43           HA       VAL  43  -5.994 -10.304  -3.155
  376    HB   VAL  43           HB       VAL  43  -7.120 -10.536  -5.984
  377   1HG1  VAL  43          1HG1      VAL  43  -7.798  -8.910  -3.452
  378   2HG1  VAL  43          2HG1      VAL  43  -8.562  -8.651  -5.034
  379   3HG1  VAL  43          3HG1      VAL  43  -8.837 -10.157  -4.147
  380   1HG2  VAL  43          2HG2      VAL  43  -5.682  -8.258  -4.566
  381   2HG2  VAL  43          3HG2      VAL  43  -5.033  -9.209  -5.909
  382   3HG2  VAL  43          1HG2      VAL  43  -6.456  -8.211  -6.175
  383    H    GLU  44           H        GLU  44  -7.200 -12.944  -5.337
  384    HA   GLU  44           HA       GLU  44  -9.568 -13.549  -3.932
  385   1HB   GLU  44          1HB       GLU  44  -9.373 -14.629  -5.969
  386   2HB   GLU  44          2HB       GLU  44  -7.673 -15.060  -5.687
  387   1HG   GLU  44          1HG       GLU  44  -9.245 -16.983  -5.825
  388   2HG   GLU  44          2HG       GLU  44  -8.193 -16.950  -4.418
  389    H    GLU  45           H        GLU  45  -6.485 -15.262  -3.699
  390    HA   GLU  45           HA       GLU  45  -6.867 -16.988  -1.664
  391   1HB   GLU  45          1HB       GLU  45  -4.621 -15.657  -2.893
  392   2HB   GLU  45          2HB       GLU  45  -4.325 -15.877  -1.193
  393   1HG   GLU  45          1HG       GLU  45  -3.393 -17.741  -2.227
  394   2HG   GLU  45          2HG       GLU  45  -4.888 -18.326  -1.495
  395    H    CYS  46           H        CYS  46  -5.996 -13.550  -1.366
  396    HA   CYS  46           HA       CYS  46  -5.770 -13.574   1.535
  397   1HB   CYS  46          1HB       CYS  46  -4.754 -11.756  -0.028
  398   2HB   CYS  46          2HB       CYS  46  -6.345 -11.153  -0.244
  399    HG   CYS  46           HG       CYS  46  -6.920 -10.992   2.406
  400    H    ASN  47           H        ASN  47  -8.233 -12.435  -0.771
  401    HA   ASN  47           HA       ASN  47 -10.043 -11.111   1.026
  402   1HB   ASN  47          1HB       ASN  47  -9.944 -10.854  -1.498
  403   2HB   ASN  47          2HB       ASN  47 -10.506 -12.518  -1.673
  404   1HD2  ASN  47          2HD2      ASN  47 -13.147  -9.631  -0.474
  405   2HD2  ASN  47          1HD2      ASN  47 -11.416  -9.256  -0.551
  406    H    ARG  48           H        ARG  48 -10.060 -14.346  -0.428
  407    HA   ARG  48           HA       ARG  48 -12.149 -15.585   0.929
  408   1HB   ARG  48          1HB       ARG  48 -10.661 -16.395  -0.994
  409   2HB   ARG  48          2HB       ARG  48  -9.406 -16.718   0.188
  410   1HG   ARG  48          1HG       ARG  48 -10.367 -18.734  -0.180
  411   2HG   ARG  48          2HG       ARG  48 -11.052 -18.264   1.381
  412   1HD   ARG  48          1HD       ARG  48 -13.186 -17.695   0.366
  413   2HD   ARG  48          2HD       ARG  48 -12.503 -17.698  -1.262
  414    HE   ARG  48           HE       ARG  48 -13.210 -20.060   0.387
  415   1HH1  ARG  48          2HH2      ARG  48 -11.404 -18.909  -2.531
  416   2HH1  ARG  48          1HH2      ARG  48 -10.965 -20.517  -2.936
  417   1HH2  ARG  48          2HH1      ARG  48 -12.707 -22.054  -0.263
  418   2HH2  ARG  48          1HH1      ARG  48 -11.656 -22.315  -1.676
  419    H    ALA  49           H        ALA  49  -8.650 -15.437   1.810
  420    HA   ALA  49           HA       ALA  49  -8.911 -16.652   4.342
  421   1HB   ALA  49          3HB       ALA  49  -6.807 -16.354   3.162
  422   2HB   ALA  49          1HB       ALA  49  -6.818 -14.613   3.523
  423   3HB   ALA  49          2HB       ALA  49  -6.714 -15.789   4.842
  424    H    GLU  50           H        GLU  50  -9.817 -13.330   3.416
  425    HA   GLU  50           HA       GLU  50  -9.486 -12.300   6.125
  426   1HB   GLU  50          1HB       GLU  50  -9.129 -11.105   3.808
  427   2HB   GLU  50          2HB       GLU  50 -10.882 -10.972   3.804
  428   1HG   GLU  50          1HG       GLU  50  -9.987  -8.982   4.624
  429   2HG   GLU  50          2HG       GLU  50 -10.652  -9.802   6.072
  430    H    CYS  51           H        CYS  51 -11.919 -13.335   3.767
  431    HA   CYS  51           HA       CYS  51 -14.206 -13.003   5.225
  432   1HB   CYS  51          1HB       CYS  51 -14.945 -13.613   3.253
  433   2HB   CYS  51          2HB       CYS  51 -13.467 -14.492   2.973
  434    HG   CYS  51           HG       CYS  51 -16.180 -15.411   4.624
  435    H    ILE  52           H        ILE  52 -11.948 -15.746   5.164
  436    HA   ILE  52           HA       ILE  52 -13.353 -17.469   6.952
  437    HB   ILE  52           HB       ILE  52 -10.482 -17.224   5.998
  438   1HG1  ILE  52          1HG1      ILE  52 -12.579 -19.379   5.491
  439   2HG1  ILE  52          2HG1      ILE  52 -12.398 -17.958   4.464
  440   1HG2  ILE  52          3HG2      ILE  52 -10.343 -18.244   8.247
  441   2HG2  ILE  52          1HG2      ILE  52 -11.552 -19.450   7.766
  442   3HG2  ILE  52          2HG2      ILE  52  -9.962 -19.389   6.979
  443   1HD1  ILE  52          2HD1      ILE  52 -10.005 -18.606   4.031
  444   2HD1  ILE  52          3HD1      ILE  52 -10.316 -20.135   4.883
  445   3HD1  ILE  52          1HD1      ILE  52 -11.210 -19.732   3.405
  446    H    GLN  53           H        GLN  53 -10.839 -15.047   7.384
  447    HA   GLN  53           HA       GLN  53 -10.030 -15.347   9.956
  448   1HB   GLN  53          1HB       GLN  53  -9.879 -13.348   8.099
  449   2HB   GLN  53          2HB       GLN  53 -10.787 -12.503   9.331
  450   1HG   GLN  53          1HG       GLN  53  -9.021 -12.884  10.987
  451   2HG   GLN  53          2HG       GLN  53  -8.164 -13.982   9.891
  452   1HE2  GLN  53          2HE2      GLN  53  -7.507 -11.256   7.443
  453   2HE2  GLN  53          1HE2      GLN  53  -8.033 -12.899   7.542
  454    H    ARG  54           H        ARG  54 -13.129 -13.888   9.019
  455    HA   ARG  54           HA       ARG  54 -13.925 -13.683  11.907
  456   1HB   ARG  54          1HB       ARG  54 -15.435 -11.949  11.236
  457   2HB   ARG  54          2HB       ARG  54 -13.788 -11.577  10.739
  458   1HG   ARG  54          1HG       ARG  54 -15.184 -12.974   8.586
  459   2HG   ARG  54          2HG       ARG  54 -16.091 -11.562   9.137
  460   1HD   ARG  54          1HD       ARG  54 -13.088 -11.410   8.604
  461   2HD   ARG  54          2HD       ARG  54 -14.211 -11.363   7.273
  462    HE   ARG  54           HE       ARG  54 -15.204  -9.364   8.027
  463   1HH1  ARG  54          2HH2      ARG  54 -12.027  -9.922   9.438
  464   2HH1  ARG  54          1HH2      ARG  54 -12.104  -8.454  10.378
  465   1HH2  ARG  54          2HH1      ARG  54 -15.399  -7.672   9.646
  466   2HH2  ARG  54          1HH1      ARG  54 -13.881  -7.147  10.386
  467    H    GLY  55           H        GLY  55 -14.670 -15.298   8.886
  468   1HA   GLY  55          1HA       GLY  55 -16.369 -16.820   8.435
  469   2HA   GLY  55          2HA       GLY  55 -17.123 -16.495   9.999
  470    H    VAL  56           H        VAL  56 -16.107 -14.471   7.257
  471    HA   VAL  56           HA       VAL  56 -18.693 -13.074   6.987
  472    HB   VAL  56           HB       VAL  56 -16.179 -13.461   5.421
  473   1HG1  VAL  56          2HG1      VAL  56 -18.645 -12.402   4.081
  474   2HG1  VAL  56          3HG1      VAL  56 -17.005 -11.988   3.568
  475   3HG1  VAL  56          1HG1      VAL  56 -17.485 -13.669   3.555
  476   1HG2  VAL  56          2HG2      VAL  56 -16.758 -11.415   7.074
  477   2HG2  VAL  56          3HG2      VAL  56 -15.713 -11.265   5.664
  478   3HG2  VAL  56          1HG2      VAL  56 -17.396 -10.741   5.559
  479    H    SER  57           H        SER  57 -20.314 -13.666   5.560
  480    HA   SER  57           HA       SER  57 -20.881 -16.323   4.778
  481   1HB   SER  57          1HB       SER  57 -21.918 -13.648   4.464
  482   2HB   SER  57          2HB       SER  57 -22.071 -14.518   2.943
  483    HG   SER  57           HG       SER  57 -23.021 -15.472   5.448
  484    HA   PRO  58           HA       PRO  58 -17.357 -16.285   2.016
  485   1HB   PRO  58          1HB       PRO  58 -17.885 -18.472   0.352
  486   2HB   PRO  58          2HB       PRO  58 -17.183 -18.544   1.989
  487   1HG   PRO  58          1HG       PRO  58 -20.075 -18.911   1.193
  488   2HG   PRO  58          2HG       PRO  58 -19.113 -19.897   2.332
  489   1HD   PRO  58          1HD       PRO  58 -20.815 -18.003   3.228
  490   2HD   PRO  58          2HD       PRO  58 -19.215 -18.186   4.010
  491    H    SER  59           H        SER  59 -20.573 -16.487   0.499
  492    HA   SER  59           HA       SER  59 -19.919 -15.659  -2.129
  493   1HB   SER  59          1HB       SER  59 -22.375 -14.720  -1.841
  494   2HB   SER  59          2HB       SER  59 -22.073 -16.466  -1.816
  495    HG   SER  59           HG       SER  59 -23.367 -15.835  -0.025
  496    H    GLN  60           H        GLN  60 -20.312 -13.879   0.897
  497    HA   GLN  60           HA       GLN  60 -20.031 -11.280  -0.485
  498   1HB   GLN  60          1HB       GLN  60 -21.845 -11.875   1.353
  499   2HB   GLN  60          2HB       GLN  60 -20.497 -11.702   2.481
  500   1HG   GLN  60          1HG       GLN  60 -20.166  -9.358   1.288
  501   2HG   GLN  60          2HG       GLN  60 -21.799  -9.619   0.690
  502   1HE2  GLN  60          2HE2      GLN  60 -23.265  -9.380   4.013
  503   2HE2  GLN  60          1HE2      GLN  60 -23.453 -10.235   2.494
  504    H    ALA  61           H        ALA  61 -17.765 -13.202  -0.277
  505    HA   ALA  61           HA       ALA  61 -15.928 -11.905   1.559
  506   1HB   ALA  61          1HB       ALA  61 -15.536 -14.200   0.728
  507   2HB   ALA  61          2HB       ALA  61 -15.096 -13.494  -0.853
  508   3HB   ALA  61          3HB       ALA  61 -14.171 -13.097   0.617
  509    H    GLN  62           H        GLN  62 -17.133 -11.230  -1.627
  510    HA   GLN  62           HA       GLN  62 -15.353  -8.970  -2.069
  511   1HB   GLN  62          1HB       GLN  62 -17.648 -10.187  -3.447
  512   2HB   GLN  62          2HB       GLN  62 -17.725  -8.438  -3.506
  513   1HG   GLN  62          1HG       GLN  62 -15.306 -10.115  -4.311
  514   2HG   GLN  62          2HG       GLN  62 -16.499  -9.437  -5.420
  515   1HE2  GLN  62          2HE2      GLN  62 -14.998  -6.079  -4.009
  516   2HE2  GLN  62          1HE2      GLN  62 -16.331  -6.928  -3.256
  517    H    GLY  63           H        GLY  63 -17.363  -9.360   0.528
  518   1HA   GLY  63          1HA       GLY  63 -18.325  -6.571   0.650
  519   2HA   GLY  63          2HA       GLY  63 -18.498  -7.843   1.869
  520    H    LEU  64           H        LEU  64 -16.958  -8.048   3.386
  521    HA   LEU  64           HA       LEU  64 -15.329  -7.501   4.849
  522   1HB   LEU  64          1HB       LEU  64 -13.881  -7.760   2.235
  523   2HB   LEU  64          2HB       LEU  64 -12.986  -7.230   3.651
  524    HG   LEU  64           HG       LEU  64 -12.906  -9.720   3.241
  525   1HD1  LEU  64          3HD1      LEU  64 -12.432  -8.724   5.411
  526   2HD1  LEU  64          1HD1      LEU  64 -14.106  -9.094   5.897
  527   3HD1  LEU  64          2HD1      LEU  64 -12.994 -10.403   5.423
  528   1HD2  LEU  64          2HD2      LEU  64 -15.100 -10.052   2.436
  529   2HD2  LEU  64          3HD2      LEU  64 -14.571 -11.183   3.681
  530   3HD2  LEU  64          1HD2      LEU  64 -15.734  -9.861   4.068
  531    H    GLY  65           H        GLY  65 -15.111  -5.009   2.270
  532   1HA   GLY  65          1HA       GLY  65 -15.435  -2.798   2.494
  533   2HA   GLY  65          2HA       GLY  65 -15.823  -3.030   4.199
  534    H    SER  66           H        SER  66 -14.154  -2.648   5.728
  535    HA   SER  66           HA       SER  66 -11.967  -0.949   4.809
  536   1HB   SER  66          1HB       SER  66 -13.169  -1.359   7.276
  537   2HB   SER  66          2HB       SER  66 -11.618  -2.177   7.493
  538    HG   SER  66           HG       SER  66 -10.562  -0.280   6.920
  539    H    ASN  67           H        ASN  67 -12.209  -4.253   5.978
  540    HA   ASN  67           HA       ASN  67  -9.432  -4.960   5.762
  541   1HB   ASN  67          1HB       ASN  67 -12.054  -6.505   5.882
  542   2HB   ASN  67          2HB       ASN  67 -10.484  -7.289   5.739
  543   1HD2  ASN  67          2HD2      ASN  67 -10.237  -5.458   9.270
  544   2HD2  ASN  67          1HD2      ASN  67 -10.071  -4.528   7.783
  545    H    LEU  68           H        LEU  68 -11.818  -4.450   3.228
  546    HA   LEU  68           HA       LEU  68 -11.250  -6.680   1.656
  547   1HB   LEU  68          1HB       LEU  68 -13.139  -5.289   1.275
  548   2HB   LEU  68          2HB       LEU  68 -12.118  -3.936   0.747
  549    HG   LEU  68           HG       LEU  68 -11.285  -5.934  -0.966
  550   1HD1  LEU  68          2HD1      LEU  68 -13.057  -7.480   0.020
  551   2HD1  LEU  68          3HD1      LEU  68 -14.257  -6.439  -0.765
  552   3HD1  LEU  68          1HD1      LEU  68 -13.057  -7.286  -1.741
  553   1HD2  LEU  68          1HD2      LEU  68 -11.937  -3.675  -1.609
  554   2HD2  LEU  68          2HD2      LEU  68 -12.657  -4.903  -2.667
  555   3HD2  LEU  68          3HD2      LEU  68 -13.652  -4.108  -1.424
  556    H    VAL  69           H        VAL  69  -9.489  -7.298   0.928
  557    HA   VAL  69           HA       VAL  69  -7.180  -5.728   0.085
  558    HB   VAL  69           HB       VAL  69  -6.957  -7.938   1.173
  559   1HG1  VAL  69          3HG1      VAL  69  -9.111  -8.843  -0.218
  560   2HG1  VAL  69          1HG1      VAL  69  -7.800  -9.489  -1.204
  561   3HG1  VAL  69          2HG1      VAL  69  -7.897  -9.844   0.535
  562   1HG2  VAL  69          2HG2      VAL  69  -5.164  -7.165  -0.287
  563   2HG2  VAL  69          3HG2      VAL  69  -5.344  -8.924  -0.407
  564   3HG2  VAL  69          1HG2      VAL  69  -5.953  -7.891  -1.703
  565    H    THR  70           H        THR  70  -6.753  -5.185  -2.047
  566    HA   THR  70           HA       THR  70  -8.254  -6.439  -4.230
  567    HB   THR  70           HB       THR  70  -8.719  -4.303  -5.329
  568    HG1  THR  70          1HG       THR  70  -7.540  -2.783  -4.728
  569   1HG2  THR  70          3HG2      THR  70 -10.443  -5.245  -3.798
  570   2HG2  THR  70          1HG2      THR  70  -9.790  -4.310  -2.453
  571   3HG2  THR  70          2HG2      THR  70 -10.498  -3.465  -3.840
  572    H    GLU  71           H        GLU  71  -7.116  -5.635  -6.352
  573    HA   GLU  71           HA       GLU  71  -4.534  -6.562  -6.418
  574   1HB   GLU  71          1HB       GLU  71  -4.379  -5.063  -8.549
  575   2HB   GLU  71          2HB       GLU  71  -5.399  -6.494  -8.472
  576   1HG   GLU  71          1HG       GLU  71  -6.499  -4.694  -9.575
  577   2HG   GLU  71          2HG       GLU  71  -7.393  -5.178  -8.148
  578    H    VAL  72           H        VAL  72  -5.551  -3.170  -6.035
  579    HA   VAL  72           HA       VAL  72  -2.985  -2.058  -6.174
  580    HB   VAL  72           HB       VAL  72  -5.137  -0.941  -6.575
  581   1HG1  VAL  72          2HG1      VAL  72  -5.807  -1.751  -3.917
  582   2HG1  VAL  72          3HG1      VAL  72  -5.813   0.009  -3.972
  583   3HG1  VAL  72          1HG1      VAL  72  -6.793  -0.917  -5.113
  584   1HG2  VAL  72          2HG2      VAL  72  -3.003   0.242  -6.190
  585   2HG2  VAL  72          3HG2      VAL  72  -4.438   1.212  -5.851
  586   3HG2  VAL  72          1HG2      VAL  72  -3.484   0.542  -4.505
  587    H    ARG  73           H        ARG  73  -4.502  -3.760  -3.584
  588    HA   ARG  73           HA       ARG  73  -2.849  -2.574  -1.474
  589   1HB   ARG  73          1HB       ARG  73  -4.607  -5.035  -1.408
  590   2HB   ARG  73          2HB       ARG  73  -3.842  -4.238  -0.047
  591   1HG   ARG  73          1HG       ARG  73  -5.990  -3.010  -1.861
  592   2HG   ARG  73          2HG       ARG  73  -6.220  -3.652  -0.244
  593   1HD   ARG  73          1HD       ARG  73  -5.845  -1.726   0.630
  594   2HD   ARG  73          2HD       ARG  73  -4.160  -1.747   0.100
  595    HE   ARG  73           HE       ARG  73  -5.644  -0.818  -2.095
  596   1HH1  ARG  73          2HH2      ARG  73  -5.282   0.106   1.251
  597   2HH1  ARG  73          1HH2      ARG  73  -5.410   1.822   1.041
  598   1HH2  ARG  73          2HH1      ARG  73  -5.929   1.584  -2.511
  599   2HH2  ARG  73          1HH1      ARG  73  -6.208   2.563  -1.114
  600    H    VAL  74           H        VAL  74  -3.085  -5.613  -3.318
  601    HA   VAL  74           HA       VAL  74  -0.747  -6.843  -2.348
  602    HB   VAL  74           HB       VAL  74  -1.899  -6.976  -5.170
  603   1HG1  VAL  74          1HG1      VAL  74   0.035  -8.729  -3.609
  604   2HG1  VAL  74          2HG1      VAL  74  -0.758  -9.212  -5.120
  605   3HG1  VAL  74          3HG1      VAL  74   0.364  -7.843  -5.114
  606   1HG2  VAL  74          3HG2      VAL  74  -3.577  -7.627  -3.414
  607   2HG2  VAL  74          1HG2      VAL  74  -3.044  -8.989  -4.407
  608   3HG2  VAL  74          2HG2      VAL  74  -2.389  -8.784  -2.779
  609    H    TYR  75           H        TYR  75  -1.315  -4.639  -5.074
  610    HA   TYR  75           HA       TYR  75   1.248  -4.375  -6.072
  611   1HB   TYR  75          1HB       TYR  75  -1.114  -3.424  -6.834
  612   2HB   TYR  75          2HB       TYR  75  -0.564  -1.957  -6.034
  613    HD1  TYR  75          1HD       TYR  75   2.018  -1.320  -6.725
  614    HD2  TYR  75          2HD       TYR  75  -0.702  -3.719  -9.071
  615    HE1  TYR  75          1HE       TYR  75   3.325  -0.827  -8.759
  616    HE2  TYR  75          2HE       TYR  75   0.574  -3.174 -11.103
  617    HH   TYR  75           HH       TYR  75   2.029  -1.517 -11.941
  618    H    ASN  76           H        ASN  76  -0.360  -2.156  -3.664
  619    HA   ASN  76           HA       ASN  76   2.008  -0.656  -3.418
  620   1HB   ASN  76          1HB       ASN  76   1.121   0.583  -1.694
  621   2HB   ASN  76          2HB       ASN  76  -0.195   0.239  -2.809
  622   1HD2  ASN  76          2HD2      ASN  76  -2.187  -0.958  -0.212
  623   2HD2  ASN  76          1HD2      ASN  76  -1.996  -0.607  -1.934
  624    H    TRP  77           H        TRP  77   1.066  -3.571  -1.547
  625    HA   TRP  77           HA       TRP  77   3.318  -3.124   0.256
  626   1HB   TRP  77          1HB       TRP  77   2.501  -4.674   1.521
  627   2HB   TRP  77          2HB       TRP  77   1.109  -4.694   0.442
  628    HD1  TRP  77           HD       TRP  77   1.124  -6.604  -1.432
  629    HE1  TRP  77          1HE       TRP  77   2.121  -8.934  -1.549
  630    HE3  TRP  77          3HE       TRP  77   4.139  -6.360   2.686
  631    HZ2  TRP  77          2HZ       TRP  77   3.915 -10.566   0.054
  632    HZ3  TRP  77          3HZ       TRP  77   5.198  -8.449   3.486
  633    HH2  TRP  77           HH       TRP  77   5.313 -10.470   2.041
  634    H    PHE  78           H        PHE  78   2.845  -5.347  -2.603
  635    HA   PHE  78           HA       PHE  78   5.512  -6.340  -2.517
  636   1HB   PHE  78          1HB       PHE  78   3.322  -6.404  -4.516
  637   2HB   PHE  78          2HB       PHE  78   4.913  -6.288  -5.230
  638    HD1  PHE  78          2HD       PHE  78   4.562  -8.199  -2.058
  639    HD2  PHE  78          1HD       PHE  78   4.853  -8.421  -6.331
  640    HE1  PHE  78          2HE       PHE  78   4.351 -10.670  -1.968
  641    HE2  PHE  78          1HE       PHE  78   4.958 -10.913  -6.167
  642    HZ   PHE  78           HZ       PHE  78   4.586 -12.016  -3.953
  643    H    ALA  79           H        ALA  79   4.223  -3.566  -4.347
  644    HA   ALA  79           HA       ALA  79   6.641  -2.838  -5.592
  645   1HB   ALA  79          2HB       ALA  79   4.432  -1.958  -6.241
  646   2HB   ALA  79          3HB       ALA  79   4.356  -1.023  -4.726
  647   3HB   ALA  79          1HB       ALA  79   5.590  -0.653  -5.945
  648    H    ASN  80           H        ASN  80   5.855  -2.609  -2.216
  649    HA   ASN  80           HA       ASN  80   8.033  -0.655  -1.696
  650   1HB   ASN  80          1HB       ASN  80   5.744  -1.716  -0.055
  651   2HB   ASN  80          2HB       ASN  80   7.242  -1.200   0.727
  652   1HD2  ASN  80          2HD2      ASN  80   4.719   1.635  -0.680
  653   2HD2  ASN  80          1HD2      ASN  80   4.362  -0.084  -0.788
  654    H    ARG  81           H        ARG  81   7.045  -4.032  -0.872
  655    HA   ARG  81           HA       ARG  81   9.413  -4.861   0.381
  656   1HB   ARG  81          1HB       ARG  81   7.225  -6.186  -1.177
  657   2HB   ARG  81          2HB       ARG  81   8.683  -7.129  -0.981
  658   1HG   ARG  81          1HG       ARG  81   7.695  -5.822   1.531
  659   2HG   ARG  81          2HG       ARG  81   6.622  -7.019   0.818
  660   1HD   ARG  81          1HD       ARG  81   8.242  -8.034   2.468
  661   2HD   ARG  81          2HD       ARG  81   8.200  -8.756   0.882
  662    HE   ARG  81           HE       ARG  81  10.387  -8.221   0.523
  663   1HH1  ARG  81          2HH2      ARG  81   9.265  -6.133   3.240
  664   2HH1  ARG  81          1HH2      ARG  81  10.895  -5.463   3.413
  665   1HH2  ARG  81          2HH1      ARG  81  12.525  -7.569   1.210
  666   2HH2  ARG  81          1HH1      ARG  81  12.609  -6.227   2.360
  667    H    ARG  82           H        ARG  82   8.698  -5.257  -3.149
  668    HA   ARG  82           HA       ARG  82  11.365  -6.073  -3.741
  669   1HB   ARG  82          1HB       ARG  82  10.939  -5.606  -6.040
  670   2HB   ARG  82          2HB       ARG  82   9.777  -6.691  -5.290
  671   1HG   ARG  82          1HG       ARG  82   8.025  -5.287  -5.505
  672   2HG   ARG  82          2HG       ARG  82   8.982  -3.790  -5.356
  673   1HD   ARG  82          1HD       ARG  82   9.051  -5.696  -7.724
  674   2HD   ARG  82          2HD       ARG  82   7.975  -4.292  -7.634
  675    HE   ARG  82           HE       ARG  82  10.987  -4.277  -7.743
  676   1HH1  ARG  82          2HH2      ARG  82   8.025  -2.787  -9.059
  677   2HH1  ARG  82          1HH2      ARG  82   8.823  -1.274  -9.360
  678   1HH2  ARG  82          2HH1      ARG  82  11.988  -2.636  -8.595
  679   2HH2  ARG  82          1HH1      ARG  82  11.164  -1.398  -9.514
  680    H    LYS  83           H        LYS  83  10.109  -2.901  -3.026
  681    HA   LYS  83           HA       LYS  83  12.344  -1.519  -4.281
  682   1HB   LYS  83          1HB       LYS  83   9.890  -0.784  -2.849
  683   2HB   LYS  83          2HB       LYS  83  11.249   0.060  -2.131
  684   1HG   LYS  83          1HG       LYS  83   9.988   1.281  -3.845
  685   2HG   LYS  83          2HG       LYS  83  11.706   1.196  -4.186
  686   1HD   LYS  83          1HD       LYS  83  11.454  -0.216  -6.024
  687   2HD   LYS  83          2HD       LYS  83   9.993  -0.981  -5.393
  688   1HE   LYS  83          1HE       LYS  83  10.149   1.876  -6.493
  689   2HE   LYS  83          2HE       LYS  83   9.574   0.460  -7.368
  690   1HZ   LYS  83          3HZ       LYS  83   7.818   0.232  -5.638
  691   2HZ   LYS  83          1HZ       LYS  83   8.257   1.651  -4.999
  692   3HZ   LYS  83          2HZ       LYS  83   7.740   1.647  -6.515
  693    H    GLU  84           H        GLU  84  11.544  -2.631  -0.968
  694    HA   GLU  84           HA       GLU  84  14.038  -1.850   0.117
  695   1HB   GLU  84          1HB       GLU  84  12.088  -2.786   1.415
  696   2HB   GLU  84          2HB       GLU  84  12.537  -4.395   0.824
  697   1HG   GLU  84          1HG       GLU  84  14.753  -4.186   1.874
  698   2HG   GLU  84          2HG       GLU  84  14.420  -2.500   2.301
  699    H    GLU  85           H        GLU  85  13.032  -4.548  -1.943
  700    HA   GLU  85           HA       GLU  85  15.710  -5.776  -1.713
  701   1HB   GLU  85          1HB       GLU  85  13.408  -7.039  -1.559
  702   2HB   GLU  85          2HB       GLU  85  13.431  -6.952  -3.330
  703   1HG   GLU  85          1HG       GLU  85  15.744  -7.980  -3.270
  704   2HG   GLU  85          2HG       GLU  85  15.609  -8.045  -1.516
  705    H    ALA  86           H        ALA  86  15.391  -3.260  -3.185
  706    HA   ALA  86           HA       ALA  86  16.932  -4.021  -5.551
  707   1HB   ALA  86          2HB       ALA  86  14.570  -4.439  -6.370
  708   2HB   ALA  86          3HB       ALA  86  14.170  -2.753  -6.008
  709   3HB   ALA  86          1HB       ALA  86  15.384  -3.133  -7.225
  710    H    PHE  87           H        PHE  87  14.756  -1.474  -4.403
  711    HA   PHE  87           HA       PHE  87  16.379   0.712  -5.157
  712   1HB   PHE  87          1HB       PHE  87  13.863   0.537  -4.329
  713   2HB   PHE  87          2HB       PHE  87  14.534   0.881  -2.744
  714    HD1  PHE  87          2HD       PHE  87  16.467   2.894  -2.914
  715    HD2  PHE  87          1HD       PHE  87  13.110   2.365  -5.575
  716    HE1  PHE  87          2HE       PHE  87  16.520   5.295  -3.542
  717    HE2  PHE  87          1HE       PHE  87  12.904   4.791  -5.794
  718    HZ   PHE  87           HZ       PHE  87  14.631   6.285  -4.808
  719    H    ARG  88           H        ARG  88  15.785  -0.757  -1.910
  720    HA   ARG  88           HA       ARG  88  17.841   0.771  -0.709
  721   1HB   ARG  88          1HB       ARG  88  15.884  -0.779   0.339
  722   2HB   ARG  88          2HB       ARG  88  17.209  -1.929   0.450
  723   1HG   ARG  88          1HG       ARG  88  17.494  -0.944   2.472
  724   2HG   ARG  88          2HG       ARG  88  18.470   0.194   1.548
  725   1HD   ARG  88          1HD       ARG  88  15.562   0.432   2.440
  726   2HD   ARG  88          2HD       ARG  88  16.889   1.412   3.014
  727    HE   ARG  88           HE       ARG  88  15.269   1.660   0.595
  728   1HH1  ARG  88          2HH2      ARG  88  18.204   2.831   2.253
  729   2HH1  ARG  88          1HH2      ARG  88  18.260   4.333   1.421
  730   1HH2  ARG  88          2HH1      ARG  88  15.540   3.502  -0.767
  731   2HH2  ARG  88          1HH1      ARG  88  16.897   4.579  -0.565
  732    H    HIS  89           H        HIS  89  17.812  -2.367  -2.281
  733    HA   HIS  89           HA       HIS  89  20.336  -3.288  -1.339
  734   1HB   HIS  89          1HB       HIS  89  18.324  -4.565  -2.441
  735   2HB   HIS  89          2HB       HIS  89  19.103  -4.148  -3.968
  736    HD1  HIS  89          1HD       HIS  89  19.361  -6.550  -1.046
  737    HD2  HIS  89          2HD       HIS  89  21.692  -5.158  -4.269
  738    HE1  HIS  89          1HE       HIS  89  21.297  -8.176  -1.290
  739    H    LYS  90           H        LYS  90  19.402  -1.266  -4.115
  740    HA   LYS  90           HA       LYS  90  22.186  -1.386  -5.125
  741   1HB   LYS  90          1HB       LYS  90  20.184  -2.107  -6.431
  742   2HB   LYS  90          2HB       LYS  90  19.719  -0.420  -6.598
  743   1HG   LYS  90          1HG       LYS  90  21.595   0.100  -7.925
  744   2HG   LYS  90          2HG       LYS  90  22.534  -1.274  -7.397
  745   1HD   LYS  90          1HD       LYS  90  20.102  -1.319  -9.232
  746   2HD   LYS  90          2HD       LYS  90  21.769  -1.608  -9.693
  747   1HE   LYS  90          1HE       LYS  90  19.902  -3.419  -8.107
  748   2HE   LYS  90          2HE       LYS  90  20.701  -3.751  -9.627
  749   1HZ   LYS  90          3HZ       LYS  90  22.282  -3.428  -7.126
  750   2HZ   LYS  90          1HZ       LYS  90  21.611  -4.840  -7.580
  751   3HZ   LYS  90          2HZ       LYS  90  22.749  -4.107  -8.519
  752    H    LEU  91           H        LEU  91  19.611   1.068  -4.595
  753    HA   LEU  91           HA       LEU  91  21.370   3.245  -4.684
  754   1HB   LEU  91          1HB       LEU  91  18.470   3.082  -3.899
  755   2HB   LEU  91          2HB       LEU  91  19.400   4.545  -4.064
  756    HG   LEU  91           HG       LEU  91  18.352   4.546  -6.023
  757   1HD1  LEU  91          2HD1      LEU  91  20.773   4.677  -6.449
  758   2HD1  LEU  91          3HD1      LEU  91  20.773   2.947  -6.890
  759   3HD1  LEU  91          1HD1      LEU  91  19.836   4.111  -7.839
  760   1HD2  LEU  91          1HD2      LEU  91  18.504   1.541  -6.219
  761   2HD2  LEU  91          2HD2      LEU  91  17.093   2.610  -5.997
  762   3HD2  LEU  91          3HD2      LEU  91  17.994   2.627  -7.520
  763    H    ALA  92           H        ALA  92  19.643   4.143  -2.170
  764    HA   ALA  92           HA       ALA  92  19.840   4.289   0.016
  765   1HB   ALA  92          3HB       ALA  92  19.537   1.788   0.071
  766   2HB   ALA  92          1HB       ALA  92  21.301   1.607   0.104
  767   3HB   ALA  92          2HB       ALA  92  20.482   2.413   1.428
  768    H    MET  93           H        MET  93  22.157   4.947  -1.888
  769    HA   MET  93           HA       MET  93  23.827   5.934   0.399
  770   1HB   MET  93          1HB       MET  93  24.554   5.499  -2.533
  771   2HB   MET  93          2HB       MET  93  25.458   6.573  -1.468
  772   1HG   MET  93          1HG       MET  93  26.588   4.474  -1.545
  773   2HG   MET  93          2HG       MET  93  25.954   4.752   0.074
  774   1HE   MET  93          3HE       MET  93  27.168   2.023  -0.762
  775   2HE   MET  93          1HE       MET  93  26.428   2.311   0.825
  776   3HE   MET  93          2HE       MET  93  25.958   0.882  -0.125
  777    H    ASP  94           H        ASP  94  21.098   6.579  -0.860
  778    HA   ASP  94           HA       ASP  94  21.154   9.338  -0.429
  779   1HB   ASP  94          1HB       ASP  94  22.416   9.277  -2.717
  780   2HB   ASP  94          2HB       ASP  94  20.920   8.715  -3.430
  781    H    THR  95           H        THR  95  19.270   8.098   0.760
  782    HA   THR  95           HA       THR  95  16.968   9.116  -0.518
  783    HB   THR  95           HB       THR  95  16.012   6.444  -0.055
  784    HG1  THR  95          1HG       THR  95  18.080   6.552  -1.964
  785   1HG2  THR  95          1HG2      THR  95  15.065   8.293  -1.526
  786   2HG2  THR  95          2HG2      THR  95  16.257   7.811  -2.742
  787   3HG2  THR  95          3HG2      THR  95  15.032   6.663  -2.175
  788    H    TYR  96           H        TYR  96  14.955   8.689   0.605
  789    HA   TYR  96           HA       TYR  96  15.095   8.662   3.537
  790   1HB   TYR  96          1HB       TYR  96  12.759   9.336   3.364
  791   2HB   TYR  96          2HB       TYR  96  13.749  10.335   2.341
  792    HD1  TYR  96          1HD       TYR  96  13.671  10.108  -0.138
  793    HD2  TYR  96          2HD       TYR  96  10.927   8.002   2.422
  794    HE1  TYR  96          1HE       TYR  96  12.396   9.401  -2.113
  795    HE2  TYR  96          2HE       TYR  96   9.530   7.458   0.451
  796    HH   TYR  96           HH       TYR  96  10.555   8.311  -2.868
  797    H    LYS  97           H        LYS  97  12.612   7.311   4.100
  798    HA   LYS  97           HA       LYS  97  13.550   4.633   4.232
  799   1HB   LYS  97          1HB       LYS  97  10.881   5.826   4.743
  800   2HB   LYS  97          2HB       LYS  97  11.223   4.100   4.961
  801   1HG   LYS  97          1HG       LYS  97  13.074   4.769   6.545
  802   2HG   LYS  97          2HG       LYS  97  12.501   6.434   6.448
  803   1HD   LYS  97          1HD       LYS  97  10.931   3.992   7.445
  804   2HD   LYS  97          2HD       LYS  97  11.621   5.301   8.408
  805   1HE   LYS  97          1HE       LYS  97   9.358   5.805   8.353
  806   2HE   LYS  97          2HE       LYS  97  10.059   6.927   7.185
  807   1HZ   LYS  97          1HZ       LYS  97   8.698   4.385   6.459
  808   2HZ   LYS  97          2HZ       LYS  97   7.970   5.848   6.536
  809   3HZ   LYS  97          3HZ       LYS  97   9.114   5.591   5.426
  810    H    LEU  98           H        LEU  98  10.564   5.705   2.642
  811    HA   LEU  98           HA       LEU  98   9.132   4.697   1.366
  812   1HB   LEU  98          1HB       LEU  98   9.643   3.784  -0.785
  813   2HB   LEU  98          2HB       LEU  98  10.133   5.445  -0.566
  814    HG   LEU  98           HG       LEU  98  12.171   3.228  -0.310
  815   1HD1  LEU  98          2HD1      LEU  98  10.951   2.839  -2.389
  816   2HD1  LEU  98          3HD1      LEU  98  11.302   4.504  -2.910
  817   3HD1  LEU  98          1HD1      LEU  98  12.625   3.349  -2.640
  818   1HD2  LEU  98          2HD2      LEU  98  12.770   5.684   0.258
  819   2HD2  LEU  98          3HD2      LEU  98  13.740   4.926  -1.015
  820   3HD2  LEU  98          1HD2      LEU  98  12.439   6.050  -1.440
  821    H    ASN  99           H        ASN  99   8.442   3.365   2.936
  822    HA   ASN  99           HA       ASN  99   8.679   0.524   2.325
  823   1HB   ASN  99          2HB       ASN  99   9.068  -0.192   4.516
  824   2HB   ASN  99          3HB       ASN  99  10.227   1.127   4.369
  825   1HD2  ASN  99          2HD2      ASN  99   7.027   1.319   6.992
  826   2HD2  ASN  99          1HD2      ASN  99   7.500  -0.116   6.087
   
  No H/Q in entry =         826
  Start of MODEL   19
    1   1H    MET   0          2H        MET   0   2.795  -3.977  27.246
    2   2H    MET   0          3H        MET   0   2.213  -5.332  26.566
    3   3H    MET   0          1H        MET   0   2.870  -4.177  25.619
    4    HA   MET   0           HA       MET   0   1.049  -2.678  25.992
    5   1HB   MET   0          2HB       MET   0  -0.049  -5.504  25.701
    6   2HB   MET   0          3HB       MET   0  -0.909  -4.009  25.308
    7   1HG   MET   0          2HG       MET   0   1.600  -4.893  23.833
    8   2HG   MET   0          3HG       MET   0  -0.060  -5.213  23.370
    9   1HE   MET   0          2HE       MET   0   2.276  -2.096  24.305
   10   2HE   MET   0          3HE       MET   0   2.808  -2.692  22.720
   11   3HE   MET   0          1HE       MET   0   1.983  -1.145  22.846
   12    H    ALA   1           H        ALA   1  -1.332  -2.798  26.995
   13    HA   ALA   1           HA       ALA   1  -2.197  -3.999  29.205
   14   1HB   ALA   1          2HB       ALA   1  -0.326  -1.785  30.137
   15   2HB   ALA   1          3HB       ALA   1  -1.626  -2.453  31.127
   16   3HB   ALA   1          1HB       ALA   1  -0.303  -3.496  30.646
   17    H    ARG   2           H        ARG   2  -3.689  -3.222  27.432
   18    HA   ARG   2           HA       ARG   2  -5.138  -1.761  26.450
   19   1HB   ARG   2          1HB       ARG   2  -6.444  -2.260  28.338
   20   2HB   ARG   2          2HB       ARG   2  -5.650  -1.024  29.336
   21   1HG   ARG   2          1HG       ARG   2  -6.733   0.735  28.300
   22   2HG   ARG   2          2HG       ARG   2  -6.896  -0.096  26.750
   23   1HD   ARG   2          1HD       ARG   2  -8.534  -0.785  29.236
   24   2HD   ARG   2          2HD       ARG   2  -9.002   0.350  27.979
   25    HE   ARG   2           HE       ARG   2  -9.226  -1.215  26.342
   26   1HH1  ARG   2          2HH2      ARG   2  -8.482  -2.787  29.451
   27   2HH1  ARG   2          1HH2      ARG   2  -9.471  -4.176  29.150
   28   1HH2  ARG   2          2HH1      ARG   2 -10.328  -3.172  25.813
   29   2HH2  ARG   2          1HH1      ARG   2 -10.220  -4.527  26.906
   30    H    ILE   3           H        ILE   3  -3.107  -0.845  25.541
   31    HA   ILE   3           HA       ILE   3  -2.652   1.978  26.361
   32    HB   ILE   3           HB       ILE   3  -0.624   0.870  25.901
   33   1HG1  ILE   3          1HG1      ILE   3  -1.424   2.790  23.667
   34   2HG1  ILE   3          2HG1      ILE   3  -0.735   3.170  25.249
   35   1HG2  ILE   3          2HG2      ILE   3  -1.440  -1.002  24.462
   36   2HG2  ILE   3          3HG2      ILE   3  -1.516   0.126  23.092
   37   3HG2  ILE   3          1HG2      ILE   3   0.017  -0.216  23.898
   38   1HD1  ILE   3          1HD1      ILE   3   1.328   1.872  24.547
   39   2HD1  ILE   3          2HD1      ILE   3   0.619   1.752  22.917
   40   3HD1  ILE   3          3HD1      ILE   3   0.994   3.338  23.593
   41    H    ASP   4           H        ASP   4  -4.990   2.404  25.987
   42    HA   ASP   4           HA       ASP   4  -6.108   1.688  23.561
   43   1HB   ASP   4          1HB       ASP   4  -8.003   3.150  23.973
   44   2HB   ASP   4          2HB       ASP   4  -7.587   2.093  25.331
   45    HA   PRO   5           HA       PRO   5  -5.009   5.532  21.235
   46   1HB   PRO   5          1HB       PRO   5  -2.878   7.071  21.904
   47   2HB   PRO   5          2HB       PRO   5  -4.470   7.229  22.691
   48   1HG   PRO   5          1HG       PRO   5  -2.072   5.714  23.721
   49   2HG   PRO   5          2HG       PRO   5  -3.081   6.892  24.611
   50   1HD   PRO   5          1HD       PRO   5  -3.435   4.181  24.736
   51   2HD   PRO   5          2HD       PRO   5  -4.843   5.263  24.880
   52    H    THR   6           H        THR   6  -4.280   2.860  20.878
   53    HA   THR   6           HA       THR   6  -1.476   2.562  20.370
   54    HB   THR   6           HB       THR   6  -3.502   0.857  18.920
   55    HG1  THR   6          1HG       THR   6  -3.073   1.034  21.687
   56   1HG2  THR   6          3HG2      THR   6  -1.053   0.470  18.664
   57   2HG2  THR   6          1HG2      THR   6  -0.922   0.218  20.416
   58   3HG2  THR   6          2HG2      THR   6  -1.889  -0.898  19.424
   59    H    LYS   7           H        LYS   7  -4.257   3.324  18.217
   60    HA   LYS   7           HA       LYS   7  -2.358   3.709  15.960
   61   1HB   LYS   7          1HB       LYS   7  -4.175   2.783  14.509
   62   2HB   LYS   7          2HB       LYS   7  -3.325   1.651  15.555
   63   1HG   LYS   7          1HG       LYS   7  -5.145   1.330  17.003
   64   2HG   LYS   7          2HG       LYS   7  -5.923   2.833  16.530
   65   1HD   LYS   7          1HD       LYS   7  -7.212   1.019  15.597
   66   2HD   LYS   7          2HD       LYS   7  -6.453   1.951  14.310
   67   1HE   LYS   7          1HE       LYS   7  -6.064  -0.256  13.613
   68   2HE   LYS   7          2HE       LYS   7  -4.545   0.176  14.404
   69   1HZ   LYS   7          2HZ       LYS   7  -5.469  -1.005  16.417
   70   2HZ   LYS   7          3HZ       LYS   7  -6.667  -1.542  15.449
   71   3HZ   LYS   7          1HZ       LYS   7  -5.134  -1.933  15.092
   72    H    LYS   8           H        LYS   8  -5.573   4.232  15.061
   73    HA   LYS   8           HA       LYS   8  -6.685   6.106  14.424
   74   1HB   LYS   8          1HB       LYS   8  -5.446   7.399  16.899
   75   2HB   LYS   8          2HB       LYS   8  -6.795   8.014  15.955
   76   1HG   LYS   8          1HG       LYS   8  -8.121   5.988  16.458
   77   2HG   LYS   8          2HG       LYS   8  -6.756   5.263  17.295
   78   1HD   LYS   8          1HD       LYS   8  -8.398   6.088  18.849
   79   2HD   LYS   8          2HD       LYS   8  -6.804   6.763  19.098
   80   1HE   LYS   8          1HE       LYS   8  -8.690   8.432  19.326
   81   2HE   LYS   8          2HE       LYS   8  -7.418   8.896  18.193
   82   1HZ   LYS   8          3HZ       LYS   8 -10.032   7.717  17.434
   83   2HZ   LYS   8          1HZ       LYS   8  -9.634   9.284  17.270
   84   3HZ   LYS   8          2HZ       LYS   8  -8.873   8.159  16.378
   85    H    GLY   9           H        GLY   9  -4.567   5.472  13.043
   86   1HA   GLY   9          1HA       GLY   9  -2.306   7.240  13.343
   87   2HA   GLY   9          2HA       GLY   9  -2.520   5.903  12.209
   88    H    ARG  10           H        ARG  10  -5.062   8.115  11.866
   89    HA   ARG  10           HA       ARG  10  -5.806   9.026   9.985
   90   1HB   ARG  10          1HB       ARG  10  -4.178  10.702   8.800
   91   2HB   ARG  10          2HB       ARG  10  -5.026  11.044  10.290
   92   1HG   ARG  10          1HG       ARG  10  -2.914  10.461  11.589
   93   2HG   ARG  10          2HG       ARG  10  -2.089  10.341  10.018
   94   1HD   ARG  10          1HD       ARG  10  -1.648  12.481  10.915
   95   2HD   ARG  10          2HD       ARG  10  -2.737  12.707   9.558
   96    HE   ARG  10           HE       ARG  10  -4.632  12.794  11.286
   97   1HH1  ARG  10          2HH2      ARG  10  -1.413  13.595  12.576
   98   2HH1  ARG  10          1HH2      ARG  10  -2.007  15.001  13.420
   99   1HH2  ARG  10          2HH1      ARG  10  -5.304  14.674  12.210
  100   2HH2  ARG  10          1HH1      ARG  10  -4.349  15.458  13.459
  101    H    ARG  11           H        ARG  11  -2.487   8.716   8.634
  102    HA   ARG  11           HA       ARG  11  -3.345   7.067   6.550
  103   1HB   ARG  11          1HB       ARG  11  -0.981   8.419   7.162
  104   2HB   ARG  11          2HB       ARG  11  -0.538   6.728   7.386
  105   1HG   ARG  11          1HG       ARG  11  -1.703   6.404   5.019
  106   2HG   ARG  11          2HG       ARG  11  -1.501   8.157   4.914
  107   1HD   ARG  11          1HD       ARG  11   1.025   7.337   5.796
  108   2HD   ARG  11          2HD       ARG  11   0.507   5.924   4.907
  109    HE   ARG  11           HE       ARG  11   0.845   7.030   2.920
  110   1HH1  ARG  11          2HH2      ARG  11   0.779   9.366   5.562
  111   2HH1  ARG  11          1HH2      ARG  11   1.251  10.720   4.577
  112   1HH2  ARG  11          2HH1      ARG  11   1.334   8.881   1.546
  113   2HH2  ARG  11          1HH1      ARG  11   1.328  10.473   2.274
  114    H    ASN  12           H        ASN  12  -2.083   4.741   6.443
  115    HA   ASN  12           HA       ASN  12  -1.828   2.641   7.244
  116   1HB   ASN  12          1HB       ASN  12  -0.486   3.778   9.099
  117   2HB   ASN  12          2HB       ASN  12  -1.927   3.644  10.111
  118   1HD2  ASN  12          2HD2      ASN  12   0.474   0.390   9.486
  119   2HD2  ASN  12          1HD2      ASN  12   0.819   1.962   8.766
  120    H    ARG  13           H        ARG  13  -4.431   4.158   6.855
  121    HA   ARG  13           HA       ARG  13  -6.309   3.236   8.839
  122   1HB   ARG  13          1HB       ARG  13  -8.026   4.051   7.506
  123   2HB   ARG  13          2HB       ARG  13  -6.696   5.163   7.293
  124   1HG   ARG  13          1HG       ARG  13  -7.590   5.041   5.187
  125   2HG   ARG  13          2HG       ARG  13  -6.295   3.881   5.053
  126   1HD   ARG  13          1HD       ARG  13  -7.888   2.425   4.287
  127   2HD   ARG  13          2HD       ARG  13  -8.520   2.313   5.942
  128    HE   ARG  13           HE       ARG  13  -9.781   4.547   4.959
  129   1HH1  ARG  13          2HH2      ARG  13  -9.922   1.044   4.300
  130   2HH1  ARG  13          1HH2      ARG  13 -11.072   1.264   3.011
  131   1HH2  ARG  13          2HH1      ARG  13 -11.696   4.587   3.651
  132   2HH2  ARG  13          1HH1      ARG  13 -12.213   3.082   2.870
  133    H    PHE  14           H        PHE  14  -5.550   2.134   5.577
  134    HA   PHE  14           HA       PHE  14  -6.853  -0.461   5.855
  135   1HB   PHE  14          1HB       PHE  14  -6.385   0.368   3.610
  136   2HB   PHE  14          2HB       PHE  14  -4.664   0.508   3.979
  137    HD1  PHE  14          1HD       PHE  14  -3.304  -1.605   4.466
  138    HD2  PHE  14          2HD       PHE  14  -7.392  -1.840   3.084
  139    HE1  PHE  14          1HE       PHE  14  -2.950  -3.936   3.767
  140    HE2  PHE  14          2HE       PHE  14  -6.999  -4.176   2.427
  141    HZ   PHE  14           HZ       PHE  14  -4.724  -5.141   2.508
  142    H    LYS  15           H        LYS  15  -6.023  -2.202   6.799
  143    HA   LYS  15           HA       LYS  15  -3.131  -2.452   7.270
  144   1HB   LYS  15          1HB       LYS  15  -3.441  -3.692   9.280
  145   2HB   LYS  15          2HB       LYS  15  -4.265  -2.140   9.492
  146   1HG   LYS  15          1HG       LYS  15  -6.299  -3.871   8.535
  147   2HG   LYS  15          2HG       LYS  15  -5.292  -4.917   9.495
  148   1HD   LYS  15          1HD       LYS  15  -7.083  -4.002  10.830
  149   2HD   LYS  15          2HD       LYS  15  -5.533  -3.471  11.444
  150   1HE   LYS  15          1HE       LYS  15  -7.435  -1.756  11.372
  151   2HE   LYS  15          2HE       LYS  15  -5.881  -1.216  10.757
  152   1HZ   LYS  15          1HZ       LYS  15  -7.737  -2.270   8.752
  153   2HZ   LYS  15          2HZ       LYS  15  -8.106  -0.856   9.496
  154   3HZ   LYS  15          3HZ       LYS  15  -6.713  -0.968   8.711
  155    H    TRP  16           H        TRP  16  -2.568  -4.755   6.863
  156    HA   TRP  16           HA       TRP  16  -4.380  -6.091   4.938
  157   1HB   TRP  16          1HB       TRP  16  -1.686  -6.735   6.203
  158   2HB   TRP  16          2HB       TRP  16  -2.593  -7.907   5.235
  159    HD1  TRP  16           HD       TRP  16  -0.204  -5.089   4.764
  160    HE1  TRP  16          1HE       TRP  16   0.416  -5.017   2.266
  161    HE3  TRP  16          3HE       TRP  16  -3.761  -8.277   2.933
  162    HZ2  TRP  16          2HZ       TRP  16  -0.605  -6.080  -0.217
  163    HZ3  TRP  16          3HZ       TRP  16  -3.598  -9.041   0.586
  164    HH2  TRP  16           HH       TRP  16  -2.182  -7.819  -1.027
  165    H    GLY  17           H        GLY  17  -3.012  -8.352   7.122
  166   1HA   GLY  17          1HA       GLY  17  -4.780  -8.228   9.332
  167   2HA   GLY  17          2HA       GLY  17  -5.457  -9.274   8.064
  168    HA   PRO  18           HA       PRO  18  -1.826 -11.204  10.442
  169   1HB   PRO  18          1HB       PRO  18  -3.052 -12.793  12.317
  170   2HB   PRO  18          2HB       PRO  18  -2.682 -11.068  12.580
  171   1HG   PRO  18          1HG       PRO  18  -5.294 -12.299  11.675
  172   2HG   PRO  18          2HG       PRO  18  -5.052 -11.093  12.974
  173   1HD   PRO  18          1HD       PRO  18  -5.798 -10.354  10.457
  174   2HD   PRO  18          2HD       PRO  18  -4.640  -9.362  11.394
  175    H    ALA  19           H        ALA  19  -4.689 -12.426   8.917
  176    HA   ALA  19           HA       ALA  19  -3.614 -15.174   8.487
  177   1HB   ALA  19          3HB       ALA  19  -6.082 -13.726   7.386
  178   2HB   ALA  19          1HB       ALA  19  -5.632 -15.412   7.072
  179   3HB   ALA  19          2HB       ALA  19  -6.068 -14.905   8.714
  180    H    SER  20           H        SER  20  -4.585 -12.341   6.541
  181    HA   SER  20           HA       SER  20  -3.707 -12.667   4.159
  182   1HB   SER  20          1HB       SER  20  -2.781 -10.185   5.582
  183   2HB   SER  20          2HB       SER  20  -3.681 -10.320   4.065
  184    HG   SER  20           HG       SER  20  -5.521 -10.466   5.189
  185    H    GLN  21           H        GLN  21  -1.403 -11.935   6.807
  186    HA   GLN  21           HA       GLN  21   0.902 -11.453   5.248
  187   1HB   GLN  21          1HB       GLN  21   0.828 -12.939   7.910
  188   2HB   GLN  21          2HB       GLN  21   2.199 -12.088   7.187
  189   1HG   GLN  21          1HG       GLN  21  -0.271 -10.923   8.449
  190   2HG   GLN  21          2HG       GLN  21   1.426 -10.660   8.834
  191   1HE2  GLN  21          2HE2      GLN  21  -0.350  -8.347   6.000
  192   2HE2  GLN  21          1HE2      GLN  21  -1.230  -9.502   7.024
  193    H    GLN  22           H        GLN  22  -0.471 -14.565   6.336
  194    HA   GLN  22           HA       GLN  22   1.657 -16.216   5.560
  195   1HB   GLN  22          1HB       GLN  22   0.202 -17.973   5.903
  196   2HB   GLN  22          2HB       GLN  22  -0.553 -16.715   6.877
  197   1HG   GLN  22          1HG       GLN  22  -2.198 -16.330   4.989
  198   2HG   GLN  22          2HG       GLN  22  -1.417 -17.607   4.079
  199   1HE2  GLN  22          2HE2      GLN  22  -3.720 -18.605   7.303
  200   2HE2  GLN  22          1HE2      GLN  22  -3.223 -16.921   7.070
  201    H    ILE  23           H        ILE  23  -0.983 -14.818   3.725
  202    HA   ILE  23           HA       ILE  23  -0.695 -16.334   1.320
  203    HB   ILE  23           HB       ILE  23  -1.887 -13.565   1.555
  204   1HG1  ILE  23          1HG1      ILE  23  -2.865 -14.992   3.367
  205   2HG1  ILE  23          2HG1      ILE  23  -3.972 -14.484   2.154
  206   1HG2  ILE  23          2HG2      ILE  23  -1.566 -14.431  -0.707
  207   2HG2  ILE  23          3HG2      ILE  23  -2.417 -15.912  -0.298
  208   3HG2  ILE  23          1HG2      ILE  23  -3.289 -14.360  -0.294
  209   1HD1  ILE  23          3HD1      ILE  23  -2.685 -17.238   2.098
  210   2HD1  ILE  23          1HD1      ILE  23  -4.245 -16.869   2.859
  211   3HD1  ILE  23          2HD1      ILE  23  -4.050 -16.658   1.113
  212    H    LEU  24           H        LEU  24   0.336 -13.134   2.489
  213    HA   LEU  24           HA       LEU  24   1.569 -12.301   0.064
  214   1HB   LEU  24          1HB       LEU  24   1.958 -11.488   2.997
  215   2HB   LEU  24          2HB       LEU  24   2.755 -10.660   1.669
  216    HG   LEU  24           HG       LEU  24  -0.242 -10.932   1.951
  217   1HD1  LEU  24          1HD1      LEU  24   0.766  -9.487   3.693
  218   2HD1  LEU  24          2HD1      LEU  24   1.540  -8.507   2.423
  219   3HD1  LEU  24          3HD1      LEU  24  -0.227  -8.590   2.538
  220   1HD2  LEU  24          2HD2      LEU  24   0.997 -10.363  -0.464
  221   2HD2  LEU  24          3HD2      LEU  24  -0.593  -9.786   0.053
  222   3HD2  LEU  24          1HD2      LEU  24   0.817  -8.761   0.254
  223    H    PHE  25           H        PHE  25   2.965 -13.838   3.001
  224    HA   PHE  25           HA       PHE  25   5.620 -13.979   2.026
  225   1HB   PHE  25          1HB       PHE  25   4.136 -15.813   3.942
  226   2HB   PHE  25          2HB       PHE  25   5.854 -15.915   3.603
  227    HD1  PHE  25          1HD       PHE  25   7.235 -13.651   3.839
  228    HD2  PHE  25          2HD       PHE  25   3.660 -14.694   5.988
  229    HE1  PHE  25          1HE       PHE  25   7.814 -12.032   5.636
  230    HE2  PHE  25          2HE       PHE  25   4.227 -13.035   7.731
  231    HZ   PHE  25           HZ       PHE  25   6.222 -11.581   7.466
  232    H    GLN  26           H        GLN  26   2.996 -16.516   1.757
  233    HA   GLN  26           HA       GLN  26   4.707 -18.262   0.297
  234   1HB   GLN  26          1HB       GLN  26   2.772 -19.487  -0.416
  235   2HB   GLN  26          2HB       GLN  26   2.593 -19.050   1.289
  236   1HG   GLN  26          1HG       GLN  26   1.095 -17.307   0.756
  237   2HG   GLN  26          2HG       GLN  26   1.341 -17.470  -0.996
  238   1HE2  GLN  26          2HE2      GLN  26  -1.778 -19.037  -0.914
  239   2HE2  GLN  26          1HE2      GLN  26  -1.032 -17.468  -0.917
  240    H    ALA  27           H        ALA  27   2.693 -15.509  -0.777
  241    HA   ALA  27           HA       ALA  27   2.977 -16.032  -3.557
  242   1HB   ALA  27          3HB       ALA  27   1.253 -14.556  -2.565
  243   2HB   ALA  27          1HB       ALA  27   2.521 -13.355  -2.210
  244   3HB   ALA  27          2HB       ALA  27   2.149 -13.818  -3.897
  245    H    TYR  28           H        TYR  28   4.870 -13.993  -1.302
  246    HA   TYR  28           HA       TYR  28   6.851 -13.037  -3.079
  247   1HB   TYR  28          1HB       TYR  28   6.409 -12.679  -0.471
  248   2HB   TYR  28          2HB       TYR  28   7.571 -13.987  -0.295
  249    HD1  TYR  28          2HD       TYR  28   7.032 -10.623  -1.857
  250    HD2  TYR  28          1HD       TYR  28   9.916 -13.423  -0.304
  251    HE1  TYR  28          2HE       TYR  28   8.818  -8.945  -2.159
  252    HE2  TYR  28          1HE       TYR  28  11.672 -11.681  -0.455
  253    HH   TYR  28           HH       TYR  28  11.048  -8.401  -1.773
  254    H    GLU  29           H        GLU  29   6.633 -16.109  -1.270
  255    HA   GLU  29           HA       GLU  29   9.052 -17.157  -2.226
  256   1HB   GLU  29          1HB       GLU  29   7.564 -17.932  -0.271
  257   2HB   GLU  29          2HB       GLU  29   6.691 -18.891  -1.459
  258   1HG   GLU  29          1HG       GLU  29   8.303 -20.476  -1.363
  259   2HG   GLU  29          2HG       GLU  29   9.508 -19.333  -1.910
  260    H    ARG  30           H        ARG  30   5.900 -16.986  -3.834
  261    HA   ARG  30           HA       ARG  30   6.659 -18.920  -5.897
  262   1HB   ARG  30          1HB       ARG  30   4.535 -16.744  -5.951
  263   2HB   ARG  30          2HB       ARG  30   4.759 -17.992  -7.170
  264   1HG   ARG  30          1HG       ARG  30   4.143 -19.755  -5.681
  265   2HG   ARG  30          2HG       ARG  30   4.244 -18.690  -4.268
  266   1HD   ARG  30          1HD       ARG  30   2.463 -17.250  -5.281
  267   2HD   ARG  30          2HD       ARG  30   2.257 -18.487  -6.539
  268    HE   ARG  30           HE       ARG  30   1.956 -19.952  -4.304
  269   1HH1  ARG  30          2HH2      ARG  30   0.328 -17.017  -5.506
  270   2HH1  ARG  30          1HH2      ARG  30  -1.097 -17.306  -4.500
  271   1HH2  ARG  30          2HH1      ARG  30  -0.035 -20.358  -3.220
  272   2HH2  ARG  30          1HH1      ARG  30  -1.284 -19.136  -3.230
  273    H    GLN  31           H        GLN  31   6.353 -15.317  -5.687
  274    HA   GLN  31           HA       GLN  31   8.758 -14.845  -7.158
  275   1HB   GLN  31          1HB       GLN  31   7.554 -13.516  -8.982
  276   2HB   GLN  31          2HB       GLN  31   7.629 -15.276  -9.176
  277   1HG   GLN  31          1HG       GLN  31   5.284 -15.450  -8.369
  278   2HG   GLN  31          2HG       GLN  31   5.212 -13.686  -8.209
  279   1HE2  GLN  31          2HE2      GLN  31   3.753 -14.897 -11.542
  280   2HE2  GLN  31          1HE2      GLN  31   3.473 -15.319  -9.856
  281    H    LYS  32           H        LYS  32   9.245 -12.533  -7.269
  282    HA   LYS  32           HA       LYS  32   7.967 -11.040  -5.013
  283   1HB   LYS  32          1HB       LYS  32  10.580 -10.644  -6.547
  284   2HB   LYS  32          2HB       LYS  32   9.847  -9.457  -5.472
  285   1HG   LYS  32          1HG       LYS  32  11.108 -10.291  -3.903
  286   2HG   LYS  32          2HG       LYS  32   9.858 -11.530  -3.741
  287   1HD   LYS  32          1HD       LYS  32  12.251 -11.931  -5.592
  288   2HD   LYS  32          2HD       LYS  32  12.417 -12.119  -3.841
  289   1HE   LYS  32          1HE       LYS  32  10.600 -13.784  -3.784
  290   2HE   LYS  32          2HE       LYS  32  10.437 -13.683  -5.550
  291   1HZ   LYS  32          2HZ       LYS  32  12.695 -14.452  -5.731
  292   2HZ   LYS  32          3HZ       LYS  32  12.798 -14.624  -4.084
  293   3HZ   LYS  32          1HZ       LYS  32  11.727 -15.523  -4.936
  294    H    ASN  33           H        ASN  33   8.502 -11.030  -8.516
  295    HA   ASN  33           HA       ASN  33   7.103  -8.430  -8.790
  296   1HB   ASN  33          1HB       ASN  33   8.709 -10.164 -10.636
  297   2HB   ASN  33          2HB       ASN  33   7.389  -9.222 -11.324
  298   1HD2  ASN  33          2HD2      ASN  33  10.717  -7.215 -10.115
  299   2HD2  ASN  33          1HD2      ASN  33  10.625  -8.961  -9.923
  300    HA   PRO  34           HA       PRO  34   3.397 -11.040  -9.068
  301   1HB   PRO  34          1HB       PRO  34   1.474  -9.115  -9.075
  302   2HB   PRO  34          2HB       PRO  34   2.423  -9.521  -7.622
  303   1HG   PRO  34          1HG       PRO  34   2.932  -7.260  -9.576
  304   2HG   PRO  34          2HG       PRO  34   2.839  -7.153  -7.794
  305   1HD   PRO  34          1HD       PRO  34   5.209  -7.360  -9.112
  306   2HD   PRO  34          2HD       PRO  34   4.961  -8.191  -7.540
  307    H    SER  35           H        SER  35   4.408 -11.563 -11.157
  308    HA   SER  35           HA       SER  35   4.397  -9.815 -13.281
  309   1HB   SER  35          1HB       SER  35   4.650 -12.840 -13.429
  310   2HB   SER  35          2HB       SER  35   5.271 -11.646 -14.588
  311    HG   SER  35           HG       SER  35   6.052 -12.005 -11.858
  312    H    LYS  36           H        LYS  36   1.745 -11.908 -12.407
  313    HA   LYS  36           HA       LYS  36  -0.151 -10.625 -13.919
  314   1HB   LYS  36          1HB       LYS  36  -0.727 -12.549 -15.496
  315   2HB   LYS  36          2HB       LYS  36   0.626 -11.516 -15.979
  316   1HG   LYS  36          1HG       LYS  36   2.240 -13.094 -15.666
  317   2HG   LYS  36          2HG       LYS  36   1.320 -14.103 -14.577
  318   1HD   LYS  36          1HD       LYS  36   0.646 -13.699 -17.529
  319   2HD   LYS  36          2HD       LYS  36   1.688 -14.995 -16.926
  320   1HE   LYS  36          1HE       LYS  36  -0.151 -15.874 -15.516
  321   2HE   LYS  36          2HE       LYS  36  -1.259 -14.621 -16.131
  322   1HZ   LYS  36          3HZ       LYS  36  -0.981 -15.612 -18.329
  323   2HZ   LYS  36          1HZ       LYS  36  -0.033 -16.806 -17.686
  324   3HZ   LYS  36          2HZ       LYS  36  -1.598 -16.664 -17.235
  325    H    GLU  37           H        GLU  37  -0.569 -13.983 -14.009
  326    HA   GLU  37           HA       GLU  37  -2.827 -14.308 -12.687
  327   1HB   GLU  37          1HB       GLU  37  -1.403 -16.117 -13.725
  328   2HB   GLU  37          2HB       GLU  37  -0.324 -16.027 -12.358
  329   1HG   GLU  37          1HG       GLU  37  -2.995 -16.499 -11.345
  330   2HG   GLU  37          2HG       GLU  37  -2.705 -17.609 -12.682
  331    H    GLU  38           H        GLU  38   0.301 -14.487 -10.991
  332    HA   GLU  38           HA       GLU  38  -0.358 -14.885  -8.478
  333   1HB   GLU  38          1HB       GLU  38   1.913 -14.049  -9.673
  334   2HB   GLU  38          2HB       GLU  38   1.510 -12.538  -8.860
  335   1HG   GLU  38          1HG       GLU  38   2.936 -13.836  -7.386
  336   2HG   GLU  38          2HG       GLU  38   1.302 -13.871  -6.699
  337    H    ARG  39           H        ARG  39  -0.788 -11.705 -10.035
  338    HA   ARG  39           HA       ARG  39  -1.407 -10.330  -7.640
  339   1HB   ARG  39          1HB       ARG  39  -0.822  -9.231  -9.881
  340   2HB   ARG  39          2HB       ARG  39  -2.297  -9.899 -10.581
  341   1HG   ARG  39          1HG       ARG  39  -3.602  -8.459  -8.867
  342   2HG   ARG  39          2HG       ARG  39  -2.048  -7.664  -8.576
  343   1HD   ARG  39          1HD       ARG  39  -2.889  -6.306 -10.220
  344   2HD   ARG  39          2HD       ARG  39  -1.992  -7.432 -11.231
  345    HE   ARG  39           HE       ARG  39  -4.188  -8.702 -11.538
  346   1HH1  ARG  39          2HH2      ARG  39  -4.219  -5.168 -11.017
  347   2HH1  ARG  39          1HH2      ARG  39  -5.960  -5.189 -10.951
  348   1HH2  ARG  39          2HH1      ARG  39  -6.463  -8.350 -12.177
  349   2HH2  ARG  39          1HH1      ARG  39  -7.179  -6.860 -11.633
  350    H    GLU  40           H        GLU  40  -3.565 -11.423 -10.234
  351    HA   GLU  40           HA       GLU  40  -6.043 -11.049  -9.137
  352   1HB   GLU  40          1HB       GLU  40  -4.785 -12.661 -11.186
  353   2HB   GLU  40          2HB       GLU  40  -6.145 -13.551 -10.473
  354   1HG   GLU  40          1HG       GLU  40  -7.043 -12.403 -12.304
  355   2HG   GLU  40          2HG       GLU  40  -7.565 -11.456 -10.903
  356    H    THR  41           H        THR  41  -4.085 -13.938  -9.041
  357    HA   THR  41           HA       THR  41  -5.407 -15.654  -7.327
  358    HB   THR  41           HB       THR  41  -2.661 -15.205  -8.315
  359    HG1  THR  41          1HG       THR  41  -2.879 -17.236  -8.912
  360   1HG2  THR  41          2HG2      THR  41  -2.915 -16.599  -5.679
  361   2HG2  THR  41          3HG2      THR  41  -1.582 -16.804  -6.859
  362   3HG2  THR  41          1HG2      THR  41  -1.850 -15.240  -6.126
  363    H    LEU  42           H        LEU  42  -3.010 -13.120  -6.403
  364    HA   LEU  42           HA       LEU  42  -3.009 -13.911  -3.685
  365   1HB   LEU  42          1HB       LEU  42  -1.541 -12.069  -5.169
  366   2HB   LEU  42          2HB       LEU  42  -2.455 -11.005  -4.134
  367    HG   LEU  42           HG       LEU  42  -0.859 -13.406  -3.138
  368   1HD1  LEU  42          2HD1      LEU  42   0.004 -10.512  -3.468
  369   2HD1  LEU  42          3HD1      LEU  42   0.936 -11.742  -2.606
  370   3HD1  LEU  42          1HD1      LEU  42   0.643 -11.919  -4.352
  371   1HD2  LEU  42          2HD2      LEU  42  -2.517 -12.395  -1.515
  372   2HD2  LEU  42          3HD2      LEU  42  -0.831 -12.233  -0.989
  373   3HD2  LEU  42          1HD2      LEU  42  -1.667 -10.845  -1.699
  374    H    VAL  43           H        VAL  43  -4.917 -11.495  -5.478
  375    HA   VAL  43           HA       VAL  43  -6.243 -10.463  -3.126
  376    HB   VAL  43           HB       VAL  43  -7.163 -10.334  -6.026
  377   1HG1  VAL  43          2HG1      VAL  43  -7.864  -8.802  -3.428
  378   2HG1  VAL  43          3HG1      VAL  43  -8.451  -8.366  -5.039
  379   3HG1  VAL  43          1HG1      VAL  43  -8.960  -9.893  -4.294
  380   1HG2  VAL  43          1HG2      VAL  43  -5.443  -8.556  -4.221
  381   2HG2  VAL  43          2HG2      VAL  43  -5.019  -9.227  -5.810
  382   3HG2  VAL  43          3HG2      VAL  43  -6.265  -7.981  -5.670
  383    H    GLU  44           H        GLU  44  -7.356 -12.973  -5.474
  384    HA   GLU  44           HA       GLU  44  -9.677 -13.716  -4.045
  385   1HB   GLU  44          1HB       GLU  44  -9.423 -14.638  -6.184
  386   2HB   GLU  44          2HB       GLU  44  -7.749 -15.135  -5.879
  387   1HG   GLU  44          1HG       GLU  44  -9.336 -17.023  -6.132
  388   2HG   GLU  44          2HG       GLU  44  -8.406 -17.055  -4.644
  389    H    GLU  45           H        GLU  45  -6.513 -15.334  -3.866
  390    HA   GLU  45           HA       GLU  45  -7.073 -17.146  -1.902
  391   1HB   GLU  45          1HB       GLU  45  -4.679 -16.112  -3.136
  392   2HB   GLU  45          2HB       GLU  45  -4.385 -16.399  -1.427
  393   1HG   GLU  45          1HG       GLU  45  -5.380 -18.707  -1.751
  394   2HG   GLU  45          2HG       GLU  45  -5.383 -18.379  -3.485
  395    H    CYS  46           H        CYS  46  -5.980 -13.783  -1.551
  396    HA   CYS  46           HA       CYS  46  -5.688 -13.829   1.296
  397   1HB   CYS  46          1HB       CYS  46  -4.810 -11.956  -0.343
  398   2HB   CYS  46          2HB       CYS  46  -6.416 -11.261  -0.186
  399    HG   CYS  46           HG       CYS  46  -6.376 -11.010   2.436
  400    H    ASN  47           H        ASN  47  -8.236 -12.512  -0.768
  401    HA   ASN  47           HA       ASN  47 -10.030 -11.640   1.187
  402   1HB   ASN  47          1HB       ASN  47 -10.234 -12.506  -1.704
  403   2HB   ASN  47          2HB       ASN  47 -11.719 -12.342  -0.814
  404   1HD2  ASN  47          2HD2      ASN  47 -11.407  -8.782  -0.345
  405   2HD2  ASN  47          1HD2      ASN  47 -11.968 -10.214   0.513
  406    H    ARG  48           H        ARG  48  -9.845 -14.833  -0.396
  407    HA   ARG  48           HA       ARG  48 -12.013 -16.077   0.885
  408   1HB   ARG  48          1HB       ARG  48 -10.670 -16.962  -1.042
  409   2HB   ARG  48          2HB       ARG  48  -9.338 -17.299   0.062
  410   1HG   ARG  48          1HG       ARG  48 -10.997 -18.779   1.398
  411   2HG   ARG  48          2HG       ARG  48 -12.147 -18.482   0.086
  412   1HD   ARG  48          1HD       ARG  48 -11.108 -20.547  -0.348
  413   2HD   ARG  48          2HD       ARG  48 -10.432 -19.405  -1.529
  414    HE   ARG  48           HE       ARG  48  -8.583 -19.299   0.506
  415   1HH1  ARG  48          2HH2      ARG  48  -9.940 -21.961  -1.437
  416   2HH1  ARG  48          1HH2      ARG  48  -8.419 -22.820  -1.434
  417   1HH2  ARG  48          2HH1      ARG  48  -6.821 -20.532   0.712
  418   2HH2  ARG  48          1HH1      ARG  48  -6.709 -22.197   0.115
  419    H    ALA  49           H        ALA  49  -8.527 -16.123   1.788
  420    HA   ALA  49           HA       ALA  49  -8.899 -17.472   4.296
  421   1HB   ALA  49          2HB       ALA  49  -6.688 -15.585   3.365
  422   2HB   ALA  49          3HB       ALA  49  -6.635 -16.583   4.833
  423   3HB   ALA  49          1HB       ALA  49  -6.704 -17.359   3.245
  424    H    GLU  50           H        GLU  50  -9.409 -14.113   3.335
  425    HA   GLU  50           HA       GLU  50  -9.146 -13.158   6.040
  426   1HB   GLU  50          1HB       GLU  50  -8.912 -11.981   3.567
  427   2HB   GLU  50          2HB       GLU  50 -10.484 -11.417   4.028
  428   1HG   GLU  50          1HG       GLU  50  -9.548 -10.157   5.843
  429   2HG   GLU  50          2HG       GLU  50  -8.144 -11.220   5.982
  430    H    CYS  51           H        CYS  51 -11.758 -14.172   3.845
  431    HA   CYS  51           HA       CYS  51 -13.946 -13.279   5.358
  432   1HB   CYS  51          1HB       CYS  51 -15.260 -14.593   4.162
  433   2HB   CYS  51          2HB       CYS  51 -13.868 -14.687   3.071
  434    HG   CYS  51           HG       CYS  51 -13.151 -17.043   3.868
  435    H    ILE  52           H        ILE  52 -11.836 -16.034   5.857
  436    HA   ILE  52           HA       ILE  52 -13.342 -17.347   7.894
  437    HB   ILE  52           HB       ILE  52 -10.429 -17.448   7.055
  438   1HG1  ILE  52          1HG1      ILE  52 -12.867 -19.135   6.310
  439   2HG1  ILE  52          2HG1      ILE  52 -11.955 -18.046   5.255
  440   1HG2  ILE  52          2HG2      ILE  52 -11.959 -19.391   8.822
  441   2HG2  ILE  52          3HG2      ILE  52 -10.313 -19.648   8.192
  442   3HG2  ILE  52          1HG2      ILE  52 -10.606 -18.335   9.309
  443   1HD1  ILE  52          2HD1      ILE  52  -9.930 -19.521   5.604
  444   2HD1  ILE  52          3HD1      ILE  52 -11.059 -20.706   6.327
  445   3HD1  ILE  52          1HD1      ILE  52 -11.271 -20.189   4.652
  446    H    GLN  53           H        GLN  53 -11.215 -14.605   7.911
  447    HA   GLN  53           HA       GLN  53 -10.305 -14.521  10.569
  448   1HB   GLN  53          1HB       GLN  53 -11.505 -12.191   9.028
  449   2HB   GLN  53          2HB       GLN  53 -10.567 -12.072  10.495
  450   1HG   GLN  53          1HG       GLN  53  -9.014 -13.582   8.552
  451   2HG   GLN  53          2HG       GLN  53  -9.599 -12.063   7.841
  452   1HE2  GLN  53          2HE2      GLN  53  -7.689  -9.880   9.852
  453   2HE2  GLN  53          1HE2      GLN  53  -8.891 -10.032   8.589
  454    H    ARG  54           H        ARG  54 -13.611 -13.700   9.361
  455    HA   ARG  54           HA       ARG  54 -14.596 -13.719  12.203
  456   1HB   ARG  54          1HB       ARG  54 -15.115 -11.732   9.983
  457   2HB   ARG  54          2HB       ARG  54 -16.261 -12.000  11.304
  458   1HG   ARG  54          1HG       ARG  54 -14.642 -11.351  12.982
  459   2HG   ARG  54          2HG       ARG  54 -13.326 -11.297  11.795
  460   1HD   ARG  54          1HD       ARG  54 -14.313  -9.004  12.450
  461   2HD   ARG  54          2HD       ARG  54 -14.148  -9.370  10.752
  462    HE   ARG  54           HE       ARG  54 -16.375  -9.455  10.395
  463   1HH1  ARG  54          2HH2      ARG  54 -15.876  -9.185  13.928
  464   2HH1  ARG  54          1HH2      ARG  54 -17.569  -9.480  14.257
  465   1HH2  ARG  54          2HH1      ARG  54 -18.585  -9.560  10.867
  466   2HH2  ARG  54          1HH1      ARG  54 -19.155  -9.386  12.495
  467    H    GLY  55           H        GLY  55 -15.341 -14.142   8.736
  468   1HA   GLY  55          1HA       GLY  55 -16.365 -16.518   8.645
  469   2HA   GLY  55          2HA       GLY  55 -17.790 -15.684   9.295
  470    H    VAL  56           H        VAL  56 -18.218 -13.522   8.118
  471    HA   VAL  56           HA       VAL  56 -19.189 -12.602   6.273
  472    HB   VAL  56           HB       VAL  56 -16.374 -13.114   5.650
  473   1HG1  VAL  56          2HG1      VAL  56 -17.255 -14.110   3.566
  474   2HG1  VAL  56          3HG1      VAL  56 -18.024 -12.546   3.197
  475   3HG1  VAL  56          1HG1      VAL  56 -16.277 -12.651   3.382
  476   1HG2  VAL  56          1HG2      VAL  56 -18.216 -10.791   5.049
  477   2HG2  VAL  56          2HG2      VAL  56 -17.154 -10.992   6.463
  478   3HG2  VAL  56          3HG2      VAL  56 -16.456 -10.818   4.848
  479    H    SER  57           H        SER  57 -20.068 -13.101   3.882
  480    HA   SER  57           HA       SER  57 -20.997 -15.891   3.778
  481   1HB   SER  57          1HB       SER  57 -21.869 -13.431   2.590
  482   2HB   SER  57          2HB       SER  57 -21.441 -14.556   1.302
  483    HG   SER  57           HG       SER  57 -23.225 -15.013   3.448
  484    HA   PRO  58           HA       PRO  58 -16.975 -16.819   2.128
  485   1HB   PRO  58          1HB       PRO  58 -17.448 -19.206   0.807
  486   2HB   PRO  58          2HB       PRO  58 -17.297 -19.039   2.578
  487   1HG   PRO  58          1HG       PRO  58 -19.834 -19.126   0.923
  488   2HG   PRO  58          2HG       PRO  58 -19.478 -20.028   2.416
  489   1HD   PRO  58          1HD       PRO  58 -20.930 -17.749   2.471
  490   2HD   PRO  58          2HD       PRO  58 -19.729 -18.057   3.759
  491    H    SER  59           H        SER  59 -19.746 -17.168  -0.094
  492    HA   SER  59           HA       SER  59 -18.141 -16.656  -2.486
  493   1HB   SER  59          1HB       SER  59 -20.583 -16.795  -3.427
  494   2HB   SER  59          2HB       SER  59 -19.866 -18.252  -2.721
  495    HG   SER  59           HG       SER  59 -22.103 -17.252  -1.964
  496    H    GLN  60           H        GLN  60 -18.675 -14.554  -0.182
  497    HA   GLN  60           HA       GLN  60 -19.143 -12.286  -2.010
  498   1HB   GLN  60          1HB       GLN  60 -21.366 -13.004  -0.870
  499   2HB   GLN  60          2HB       GLN  60 -20.574 -12.580   0.650
  500   1HG   GLN  60          1HG       GLN  60 -20.153 -10.245  -0.556
  501   2HG   GLN  60          2HG       GLN  60 -21.464 -10.780  -1.611
  502   1HE2  GLN  60          2HE2      GLN  60 -23.874 -10.846   1.176
  503   2HE2  GLN  60          1HE2      GLN  60 -23.452 -11.702  -0.296
  504    H    ALA  61           H        ALA  61 -16.693 -13.131  -1.220
  505    HA   ALA  61           HA       ALA  61 -15.830 -12.372   1.313
  506   1HB   ALA  61          1HB       ALA  61 -14.442 -13.672  -0.240
  507   2HB   ALA  61          2HB       ALA  61 -14.156 -12.205  -1.206
  508   3HB   ALA  61          3HB       ALA  61 -13.592 -12.305   0.478
  509    H    GLN  62           H        GLN  62 -16.632 -10.317  -1.367
  510    HA   GLN  62           HA       GLN  62 -15.601  -7.871  -0.688
  511   1HB   GLN  62          1HB       GLN  62 -18.059  -8.797  -2.018
  512   2HB   GLN  62          2HB       GLN  62 -18.257  -7.210  -1.285
  513   1HG   GLN  62          1HG       GLN  62 -15.905  -7.897  -3.100
  514   2HG   GLN  62          2HG       GLN  62 -17.436  -7.245  -3.683
  515   1HE2  GLN  62          2HE2      GLN  62 -15.956  -4.405  -1.231
  516   2HE2  GLN  62          1HE2      GLN  62 -16.571  -5.882  -0.525
  517    H    GLY  63           H        GLY  63 -18.047  -9.610   1.167
  518   1HA   GLY  63          1HA       GLY  63 -19.194  -7.623   2.736
  519   2HA   GLY  63          2HA       GLY  63 -18.844  -9.269   3.277
  520    H    LEU  64           H        LEU  64 -15.887  -9.035   3.037
  521    HA   LEU  64           HA       LEU  64 -15.472  -7.733   5.622
  522   1HB   LEU  64          1HB       LEU  64 -13.289  -8.646   5.629
  523   2HB   LEU  64          2HB       LEU  64 -14.499  -9.848   5.335
  524    HG   LEU  64           HG       LEU  64 -13.688  -8.952   2.770
  525   1HD1  LEU  64          1HD1      LEU  64 -11.313  -9.438   4.568
  526   2HD1  LEU  64          2HD1      LEU  64 -11.253  -9.440   2.789
  527   3HD1  LEU  64          3HD1      LEU  64 -11.706  -7.974   3.659
  528   1HD2  LEU  64          2HD2      LEU  64 -14.376 -11.275   3.409
  529   2HD2  LEU  64          3HD2      LEU  64 -12.814 -11.280   2.573
  530   3HD2  LEU  64          1HD2      LEU  64 -12.879 -11.424   4.338
  531    H    GLY  65           H        GLY  65 -16.045  -6.072   3.121
  532   1HA   GLY  65          1HA       GLY  65 -14.510  -4.398   2.032
  533   2HA   GLY  65          2HA       GLY  65 -15.769  -3.784   3.059
  534    H    SER  66           H        SER  66 -14.534  -4.215   5.706
  535    HA   SER  66           HA       SER  66 -12.812  -1.883   5.702
  536   1HB   SER  66          1HB       SER  66 -14.258  -3.572   7.640
  537   2HB   SER  66          2HB       SER  66 -12.661  -3.138   8.179
  538    HG   SER  66           HG       SER  66 -13.183  -0.958   7.788
  539    H    ASN  67           H        ASN  67 -12.352  -5.403   6.070
  540    HA   ASN  67           HA       ASN  67  -9.450  -5.239   6.565
  541   1HB   ASN  67          1HB       ASN  67 -11.361  -7.471   5.802
  542   2HB   ASN  67          2HB       ASN  67  -9.607  -7.669   5.808
  543   1HD2  ASN  67          2HD2      ASN  67 -11.458  -7.077   9.469
  544   2HD2  ASN  67          1HD2      ASN  67 -12.104  -6.285   8.053
  545    H    LEU  68           H        LEU  68 -11.676  -5.864   3.948
  546    HA   LEU  68           HA       LEU  68 -10.642  -6.960   2.018
  547   1HB   LEU  68          1HB       LEU  68 -12.765  -5.745   2.019
  548   2HB   LEU  68          2HB       LEU  68 -11.934  -4.312   1.386
  549    HG   LEU  68           HG       LEU  68 -11.158  -6.512  -0.284
  550   1HD1  LEU  68          2HD1      LEU  68 -12.990  -7.792   0.774
  551   2HD1  LEU  68          3HD1      LEU  68 -14.127  -6.525   0.284
  552   3HD1  LEU  68          1HD1      LEU  68 -13.273  -7.490  -0.954
  553   1HD2  LEU  68          1HD2      LEU  68 -13.288  -4.382  -0.739
  554   2HD2  LEU  68          2HD2      LEU  68 -11.539  -4.178  -0.999
  555   3HD2  LEU  68          3HD2      LEU  68 -12.449  -5.329  -1.995
  556    H    VAL  69           H        VAL  69  -9.027  -7.133   0.834
  557    HA   VAL  69           HA       VAL  69  -7.001  -5.131   0.307
  558    HB   VAL  69           HB       VAL  69  -7.362  -7.933  -0.850
  559   1HG1  VAL  69          2HG1      VAL  69  -4.892  -6.250  -0.304
  560   2HG1  VAL  69          3HG1      VAL  69  -4.914  -7.885  -0.968
  561   3HG1  VAL  69          1HG1      VAL  69  -5.575  -6.585  -1.922
  562   1HG2  VAL  69          3HG2      VAL  69  -6.120  -7.117   1.817
  563   2HG2  VAL  69          1HG2      VAL  69  -7.468  -8.247   1.563
  564   3HG2  VAL  69          2HG2      VAL  69  -5.860  -8.678   1.017
  565    H    THR  70           H        THR  70  -6.400  -4.605  -1.910
  566    HA   THR  70           HA       THR  70  -8.122  -5.323  -4.127
  567    HB   THR  70           HB       THR  70  -8.142  -2.996  -4.993
  568    HG1  THR  70          1HG       THR  70  -7.570  -2.329  -2.273
  569   1HG2  THR  70          1HG2      THR  70 -10.171  -3.922  -3.856
  570   2HG2  THR  70          2HG2      THR  70  -9.636  -3.186  -2.333
  571   3HG2  THR  70          3HG2      THR  70 -10.039  -2.158  -3.717
  572    H    GLU  71           H        GLU  71  -6.795  -4.737  -6.225
  573    HA   GLU  71           HA       GLU  71  -4.381  -6.022  -5.963
  574   1HB   GLU  71          1HB       GLU  71  -5.330  -3.966  -8.066
  575   2HB   GLU  71          2HB       GLU  71  -3.925  -5.033  -8.245
  576   1HG   GLU  71          1HG       GLU  71  -5.237  -6.651  -8.986
  577   2HG   GLU  71          2HG       GLU  71  -5.930  -6.809  -7.403
  578    H    VAL  72           H        VAL  72  -4.933  -2.513  -5.927
  579    HA   VAL  72           HA       VAL  72  -2.232  -1.705  -6.150
  580    HB   VAL  72           HB       VAL  72  -4.164  -0.201  -6.380
  581   1HG1  VAL  72          2HG1      VAL  72  -5.606  -1.004  -4.571
  582   2HG1  VAL  72          3HG1      VAL  72  -4.477  -0.375  -3.350
  583   3HG1  VAL  72          1HG1      VAL  72  -5.334   0.734  -4.437
  584   1HG2  VAL  72          2HG2      VAL  72  -1.897   0.730  -5.866
  585   2HG2  VAL  72          3HG2      VAL  72  -3.233   1.767  -5.334
  586   3HG2  VAL  72          1HG2      VAL  72  -2.351   0.793  -4.146
  587    H    ARG  73           H        ARG  73  -3.930  -3.102  -3.378
  588    HA   ARG  73           HA       ARG  73  -1.925  -2.450  -1.398
  589   1HB   ARG  73          1HB       ARG  73  -3.796  -4.852  -1.655
  590   2HB   ARG  73          2HB       ARG  73  -2.843  -4.517  -0.258
  591   1HG   ARG  73          1HG       ARG  73  -5.118  -2.789  -1.347
  592   2HG   ARG  73          2HG       ARG  73  -5.105  -3.747   0.135
  593   1HD   ARG  73          1HD       ARG  73  -3.660  -1.185  -0.483
  594   2HD   ARG  73          2HD       ARG  73  -4.731  -1.550   0.873
  595    HE   ARG  73           HE       ARG  73  -2.566  -3.287   1.141
  596   1HH1  ARG  73          2HH2      ARG  73  -3.128   0.219   1.328
  597   2HH1  ARG  73          1HH2      ARG  73  -2.086   0.345   2.739
  598   1HH2  ARG  73          2HH1      ARG  73  -0.804  -2.920   2.541
  599   2HH2  ARG  73          1HH1      ARG  73  -0.453  -1.315   3.115
  600    H    VAL  74           H        VAL  74  -2.454  -5.224  -3.585
  601    HA   VAL  74           HA       VAL  74  -0.244  -6.759  -2.745
  602    HB   VAL  74           HB       VAL  74  -1.664  -6.619  -5.467
  603   1HG1  VAL  74          1HG1      VAL  74   0.388  -8.518  -4.384
  604   2HG1  VAL  74          2HG1      VAL  74  -0.719  -8.952  -5.711
  605   3HG1  VAL  74          3HG1      VAL  74   0.421  -7.614  -5.922
  606   1HG2  VAL  74          3HG2      VAL  74  -3.110  -7.303  -3.523
  607   2HG2  VAL  74          1HG2      VAL  74  -2.838  -8.595  -4.700
  608   3HG2  VAL  74          2HG2      VAL  74  -1.928  -8.592  -3.179
  609    H    TYR  75           H        TYR  75  -0.646  -4.337  -5.372
  610    HA   TYR  75           HA       TYR  75   1.969  -4.232  -6.340
  611   1HB   TYR  75          1HB       TYR  75  -0.074  -2.895  -7.198
  612   2HB   TYR  75          2HB       TYR  75   0.234  -1.764  -5.906
  613    HD1  TYR  75          2HD       TYR  75   1.876  -3.335  -8.879
  614    HD2  TYR  75          1HD       TYR  75   1.941  -0.094  -6.036
  615    HE1  TYR  75          2HE       TYR  75   3.861  -2.379 -10.009
  616    HE2  TYR  75          1HE       TYR  75   3.909   0.875  -7.193
  617    HH   TYR  75           HH       TYR  75   5.445   0.608  -8.876
  618    H    ASN  76           H        ASN  76   0.558  -2.315  -3.674
  619    HA   ASN  76           HA       ASN  76   2.878  -0.807  -3.103
  620   1HB   ASN  76          1HB       ASN  76   0.360  -1.421  -1.550
  621   2HB   ASN  76          2HB       ASN  76   1.733  -0.693  -0.716
  622   1HD2  ASN  76          2HD2      ASN  76   0.040   1.563  -3.733
  623   2HD2  ASN  76          1HD2      ASN  76  -0.031  -0.193  -3.830
  624    H    TRP  77           H        TRP  77   1.722  -3.852  -1.611
  625    HA   TRP  77           HA       TRP  77   3.800  -3.896   0.353
  626   1HB   TRP  77          1HB       TRP  77   2.612  -5.537   1.205
  627   2HB   TRP  77          2HB       TRP  77   1.490  -5.396  -0.134
  628    HD1  TRP  77           HD       TRP  77   1.766  -7.196  -2.108
  629    HE1  TRP  77          1HE       TRP  77   2.970  -9.420  -2.345
  630    HE3  TRP  77          3HE       TRP  77   4.336  -7.132   2.294
  631    HZ2  TRP  77          2HZ       TRP  77   4.817 -11.006  -0.799
  632    HZ3  TRP  77          3HZ       TRP  77   5.631  -9.100   2.973
  633    HH2  TRP  77           HH       TRP  77   6.011 -10.995   1.396
  634    H    PHE  78           H        PHE  78   3.487  -5.668  -2.811
  635    HA   PHE  78           HA       PHE  78   6.042  -6.897  -2.598
  636   1HB   PHE  78          1HB       PHE  78   4.364  -6.135  -5.023
  637   2HB   PHE  78          2HB       PHE  78   5.941  -6.899  -5.171
  638    HD1  PHE  78          2HD       PHE  78   6.321  -9.031  -3.573
  639    HD2  PHE  78          1HD       PHE  78   2.641  -7.737  -5.379
  640    HE1  PHE  78          2HE       PHE  78   5.417 -11.338  -3.390
  641    HE2  PHE  78          1HE       PHE  78   1.816 -10.088  -5.333
  642    HZ   PHE  78           HZ       PHE  78   3.161 -11.854  -4.237
  643    H    ALA  79           H        ALA  79   5.057  -3.820  -4.130
  644    HA   ALA  79           HA       ALA  79   7.618  -3.030  -4.976
  645   1HB   ALA  79          3HB       ALA  79   5.234  -1.352  -4.066
  646   2HB   ALA  79          1HB       ALA  79   6.595  -0.718  -5.001
  647   3HB   ALA  79          2HB       ALA  79   5.510  -1.927  -5.718
  648    H    ASN  80           H        ASN  80   6.166  -2.892  -1.752
  649    HA   ASN  80           HA       ASN  80   8.218  -1.149  -0.687
  650   1HB   ASN  80          1HB       ASN  80   5.932  -1.629   0.410
  651   2HB   ASN  80          2HB       ASN  80   6.607  -3.178   0.932
  652   1HD2  ASN  80          2HD2      ASN  80   8.973  -1.486   3.203
  653   2HD2  ASN  80          1HD2      ASN  80   8.878  -2.936   2.217
  654    H    ARG  81           H        ARG  81   7.621  -4.646  -0.691
  655    HA   ARG  81           HA       ARG  81  10.288  -5.339   0.243
  656   1HB   ARG  81          1HB       ARG  81   8.126  -7.001  -1.087
  657   2HB   ARG  81          2HB       ARG  81   9.566  -7.607  -0.259
  658   1HG   ARG  81          1HG       ARG  81   8.148  -5.861   1.576
  659   2HG   ARG  81          2HG       ARG  81   6.997  -6.978   0.840
  660   1HD   ARG  81          1HD       ARG  81   7.927  -7.941   2.872
  661   2HD   ARG  81          2HD       ARG  81   8.445  -8.898   1.473
  662    HE   ARG  81           HE       ARG  81  10.318  -6.764   2.290
  663   1HH1  ARG  81          2HH2      ARG  81   9.359 -10.068   3.223
  664   2HH1  ARG  81          1HH2      ARG  81  10.968 -10.425   3.816
  665   1HH2  ARG  81          2HH1      ARG  81  12.228  -7.228   3.117
  666   2HH2  ARG  81          1HH1      ARG  81  12.749  -8.882   3.476
  667    H    ARG  82           H        ARG  82  10.176  -3.558  -2.088
  668    HA   ARG  82           HA       ARG  82  12.122  -5.028  -3.741
  669   1HB   ARG  82          1HB       ARG  82  10.419  -2.616  -4.528
  670   2HB   ARG  82          2HB       ARG  82  11.816  -3.167  -5.415
  671   1HG   ARG  82          1HG       ARG  82   9.388  -4.934  -4.920
  672   2HG   ARG  82          2HG       ARG  82   9.476  -3.752  -6.225
  673   1HD   ARG  82          1HD       ARG  82  10.206  -5.694  -7.276
  674   2HD   ARG  82          2HD       ARG  82  11.727  -4.861  -6.899
  675    HE   ARG  82           HE       ARG  82  11.321  -6.479  -4.710
  676   1HH1  ARG  82          2HH2      ARG  82  11.575  -7.027  -8.227
  677   2HH1  ARG  82          1HH2      ARG  82  12.049  -8.691  -8.053
  678   1HH2  ARG  82          2HH1      ARG  82  12.885  -8.120  -4.658
  679   2HH2  ARG  82          1HH1      ARG  82  13.049  -9.265  -5.952
  680    H    LYS  83           H        LYS  83  11.049  -1.727  -2.822
  681    HA   LYS  83           HA       LYS  83  13.770  -0.954  -2.944
  682   1HB   LYS  83          1HB       LYS  83  11.471   0.399  -3.369
  683   2HB   LYS  83          2HB       LYS  83  11.723   0.864  -1.686
  684   1HG   LYS  83          1HG       LYS  83  12.727   2.558  -3.036
  685   2HG   LYS  83          2HG       LYS  83  14.072   1.614  -2.389
  686   1HD   LYS  83          1HD       LYS  83  14.070   0.313  -4.629
  687   2HD   LYS  83          2HD       LYS  83  12.846   1.452  -5.198
  688   1HE   LYS  83          1HE       LYS  83  14.410   3.318  -4.945
  689   2HE   LYS  83          2HE       LYS  83  15.604   2.267  -4.154
  690   1HZ   LYS  83          2HZ       LYS  83  15.767   1.034  -6.258
  691   2HZ   LYS  83          3HZ       LYS  83  14.754   2.078  -6.981
  692   3HZ   LYS  83          1HZ       LYS  83  16.176   2.643  -6.411
  693    H    GLU  84           H        GLU  84  11.861  -2.081  -0.298
  694    HA   GLU  84           HA       GLU  84  13.542  -1.371   1.873
  695   1HB   GLU  84          1HB       GLU  84  11.374  -2.509   2.090
  696   2HB   GLU  84          2HB       GLU  84  11.998  -3.923   1.219
  697   1HG   GLU  84          1HG       GLU  84  13.616  -4.341   3.011
  698   2HG   GLU  84          2HG       GLU  84  13.022  -2.916   3.900
  699    H    GLU  85           H        GLU  85  13.787  -4.015  -0.569
  700    HA   GLU  85           HA       GLU  85  16.087  -5.213   0.802
  701   1HB   GLU  85          1HB       GLU  85  14.582  -6.731  -0.327
  702   2HB   GLU  85          2HB       GLU  85  14.747  -5.850  -1.848
  703   1HG   GLU  85          1HG       GLU  85  17.068  -6.485  -2.077
  704   2HG   GLU  85          2HG       GLU  85  17.133  -7.154  -0.457
  705    H    ALA  86           H        ALA  86  15.422  -3.436  -2.213
  706    HA   ALA  86           HA       ALA  86  18.055  -3.269  -3.151
  707   1HB   ALA  86          1HB       ALA  86  15.996  -2.691  -4.431
  708   2HB   ALA  86          2HB       ALA  86  15.877  -1.179  -3.504
  709   3HB   ALA  86          3HB       ALA  86  17.282  -1.471  -4.551
  710    H    PHE  87           H        PHE  87  16.377  -1.215  -0.721
  711    HA   PHE  87           HA       PHE  87  18.641   0.473  -0.162
  712   1HB   PHE  87          1HB       PHE  87  16.104  -0.197   1.235
  713   2HB   PHE  87          2HB       PHE  87  17.454  -0.072   2.313
  714    HD1  PHE  87          1HD       PHE  87  15.883   1.833  -0.511
  715    HD2  PHE  87          2HD       PHE  87  18.189   1.985   3.140
  716    HE1  PHE  87          1HE       PHE  87  15.859   4.313  -0.584
  717    HE2  PHE  87          2HE       PHE  87  18.262   4.450   2.991
  718    HZ   PHE  87           HZ       PHE  87  17.087   5.621   1.131
  719    H    ARG  88           H        ARG  88  17.545  -2.428   1.677
  720    HA   ARG  88           HA       ARG  88  19.683  -2.668   3.337
  721   1HB   ARG  88          1HB       ARG  88  17.700  -3.934   3.610
  722   2HB   ARG  88          2HB       ARG  88  17.966  -4.832   2.107
  723   1HG   ARG  88          1HG       ARG  88  19.680  -6.132   2.988
  724   2HG   ARG  88          2HG       ARG  88  20.042  -5.005   4.301
  725   1HD   ARG  88          1HD       ARG  88  17.355  -6.434   4.141
  726   2HD   ARG  88          2HD       ARG  88  18.776  -7.189   4.877
  727    HE   ARG  88           HE       ARG  88  18.676  -4.698   6.057
  728   1HH1  ARG  88          2HH2      ARG  88  16.331  -7.384   5.960
  729   2HH1  ARG  88          1HH2      ARG  88  16.353  -7.539   7.722
  730   1HH2  ARG  88          2HH1      ARG  88  18.449  -4.838   8.370
  731   2HH2  ARG  88          1HH1      ARG  88  17.335  -6.050   9.000
  732    H    HIS  89           H        HIS  89  19.657  -3.802  -0.030
  733    HA   HIS  89           HA       HIS  89  22.088  -5.303   0.201
  734   1HB   HIS  89          1HB       HIS  89  20.323  -5.656  -1.522
  735   2HB   HIS  89          2HB       HIS  89  20.723  -4.094  -2.248
  736    HD1  HIS  89          1HD       HIS  89  24.037  -5.231  -1.623
  737    HD2  HIS  89          2HD       HIS  89  20.908  -6.449  -4.174
  738    HE1  HIS  89          1HE       HIS  89  25.115  -6.531  -3.540
  739    H    LYS  90           H        LYS  90  21.379  -1.899  -0.728
  740    HA   LYS  90           HA       LYS  90  24.057  -1.461  -1.772
  741   1HB   LYS  90          1HB       LYS  90  22.155  -0.209  -2.581
  742   2HB   LYS  90          2HB       LYS  90  21.849   0.507  -1.005
  743   1HG   LYS  90          1HG       LYS  90  24.532   0.859  -2.377
  744   2HG   LYS  90          2HG       LYS  90  23.153   1.817  -2.905
  745   1HD   LYS  90          1HD       LYS  90  23.206   3.230  -1.166
  746   2HD   LYS  90          2HD       LYS  90  23.368   1.952   0.002
  747   1HE   LYS  90          1HE       LYS  90  25.937   2.197  -1.343
  748   2HE   LYS  90          2HE       LYS  90  25.380   3.823  -0.932
  749   1HZ   LYS  90          1HZ       LYS  90  25.577   1.592   0.983
  750   2HZ   LYS  90          2HZ       LYS  90  26.699   2.764   0.825
  751   3HZ   LYS  90          3HZ       LYS  90  25.225   3.169   1.351
  752    H    LEU  91           H        LEU  91  22.963  -1.731   1.507
  753    HA   LEU  91           HA       LEU  91  25.091  -0.248   2.555
  754   1HB   LEU  91          1HB       LEU  91  23.366   1.310   3.808
  755   2HB   LEU  91          2HB       LEU  91  23.739   1.651   2.153
  756    HG   LEU  91           HG       LEU  91  21.706   0.612   1.382
  757   1HD1  LEU  91          2HD1      LEU  91  21.218   0.099   4.356
  758   2HD1  LEU  91          3HD1      LEU  91  19.937   0.046   3.142
  759   3HD1  LEU  91          1HD1      LEU  91  21.291  -1.097   3.068
  760   1HD2  LEU  91          1HD2      LEU  91  21.875   3.029   2.061
  761   2HD2  LEU  91          2HD2      LEU  91  20.263   2.319   1.971
  762   3HD2  LEU  91          3HD2      LEU  91  21.016   2.580   3.549
  763    H    ALA  92           H        ALA  92  23.672  -0.027   5.220
  764    HA   ALA  92           HA       ALA  92  23.274  -1.374   7.014
  765   1HB   ALA  92          3HB       ALA  92  21.311  -2.163   5.711
  766   2HB   ALA  92          1HB       ALA  92  22.288  -3.459   5.004
  767   3HB   ALA  92          2HB       ALA  92  22.002  -3.430   6.738
  768    H    MET  93           H        MET  93  25.803  -1.137   6.021
  769    HA   MET  93           HA       MET  93  27.211  -3.291   7.302
  770   1HB   MET  93          1HB       MET  93  28.526  -4.049   5.385
  771   2HB   MET  93          2HB       MET  93  26.826  -4.461   5.175
  772   1HG   MET  93          1HG       MET  93  26.542  -2.490   3.673
  773   2HG   MET  93          2HG       MET  93  28.259  -2.133   3.810
  774   1HE   MET  93          1HE       MET  93  30.167  -3.632   2.880
  775   2HE   MET  93          2HE       MET  93  29.564  -5.121   3.653
  776   3HE   MET  93          3HE       MET  93  29.904  -5.103   1.912
  777    H    ASP  94           H        ASP  94  26.879  -0.562   7.694
  778    HA   ASP  94           HA       ASP  94  29.456   0.776   7.119
  779   1HB   ASP  94          1HB       ASP  94  28.380   1.168   5.053
  780   2HB   ASP  94          2HB       ASP  94  26.785   1.257   5.794
  781    H    THR  95           H        THR  95  26.014   1.447   7.923
  782    HA   THR  95           HA       THR  95  26.871   2.458  10.609
  783    HB   THR  95           HB       THR  95  24.443   3.175   8.930
  784    HG1  THR  95          1HG       THR  95  26.600   3.962   8.278
  785   1HG2  THR  95          1HG2      THR  95  25.482   4.347  11.550
  786   2HG2  THR  95          2HG2      THR  95  24.171   5.015  10.553
  787   3HG2  THR  95          3HG2      THR  95  23.954   3.463  11.348
  788    H    TYR  96           H        TYR  96  23.538   1.720  10.285
  789    HA   TYR  96           HA       TYR  96  23.595  -1.025  10.884
  790   1HB   TYR  96          1HB       TYR  96  22.747  -0.427  13.309
  791   2HB   TYR  96          2HB       TYR  96  24.488  -0.490  12.973
  792    HD1  TYR  96          2HD       TYR  96  21.673   2.016  13.103
  793    HD2  TYR  96          1HD       TYR  96  25.888   1.244  13.604
  794    HE1  TYR  96          2HE       TYR  96  21.964   4.224  14.170
  795    HE2  TYR  96          1HE       TYR  96  26.146   3.407  14.753
  796    HH   TYR  96           HH       TYR  96  24.975   4.954  15.964
  797    H    LYS  97           H        LYS  97  21.363  -1.530  11.829
  798    HA   LYS  97           HA       LYS  97  19.145  -1.387  12.037
  799   1HB   LYS  97          1HB       LYS  97  19.588   0.966  12.832
  800   2HB   LYS  97          2HB       LYS  97  19.262   1.519  11.179
  801   1HG   LYS  97          1HG       LYS  97  16.995   0.198  11.506
  802   2HG   LYS  97          2HG       LYS  97  17.361   0.361  13.220
  803   1HD   LYS  97          1HD       LYS  97  17.129   2.574  11.119
  804   2HD   LYS  97          2HD       LYS  97  15.942   2.248  12.361
  805   1HE   LYS  97          1HE       LYS  97  18.836   3.122  12.983
  806   2HE   LYS  97          2HE       LYS  97  17.521   4.250  12.710
  807   1HZ   LYS  97          3HZ       LYS  97  16.757   2.323  14.635
  808   2HZ   LYS  97          1HZ       LYS  97  18.105   3.108  15.121
  809   3HZ   LYS  97          2HZ       LYS  97  16.737   3.940  14.685
  810    H    LEU  98           H        LEU  98  20.145   0.612   9.253
  811    HA   LEU  98           HA       LEU  98  19.465  -1.230   7.299
  812   1HB   LEU  98          1HB       LEU  98  17.102  -0.141   8.298
  813   2HB   LEU  98          2HB       LEU  98  17.443   1.009   7.049
  814    HG   LEU  98           HG       LEU  98  15.943  -0.626   6.221
  815   1HD1  LEU  98          1HD1      LEU  98  17.622   0.090   4.603
  816   2HD1  LEU  98          2HD1      LEU  98  18.662  -1.289   5.036
  817   3HD1  LEU  98          3HD1      LEU  98  17.074  -1.567   4.291
  818   1HD2  LEU  98          2HD2      LEU  98  16.368  -2.416   7.833
  819   2HD2  LEU  98          3HD2      LEU  98  16.383  -3.020   6.173
  820   3HD2  LEU  98          1HD2      LEU  98  17.910  -2.800   7.040
  821    H    ASN  99           H        ASN  99  21.721   0.505   7.926
  822    HA   ASN  99           HA       ASN  99  21.981   1.869   5.433
  823   1HB   ASN  99          2HB       ASN  99  20.826   3.439   7.454
  824   2HB   ASN  99          3HB       ASN  99  22.531   3.883   7.496
  825   1HD2  ASN  99          2HD2      ASN  99  22.452   5.145   4.045
  826   2HD2  ASN  99          1HD2      ASN  99  23.513   4.428   5.262
   
  No H/Q in entry =         826
  Start of MODEL   20
    1   1H    MET   0          2H        MET   0  -1.089  18.683   2.000
    2   2H    MET   0          3H        MET   0  -0.094  19.448   3.021
    3   3H    MET   0          1H        MET   0   0.512  18.259   2.043
    4    HA   MET   0           HA       MET   0   0.278  17.310   4.202
    5   1HB   MET   0          2HB       MET   0  -2.350  18.744   4.077
    6   2HB   MET   0          3HB       MET   0  -2.297  17.218   4.969
    7   1HG   MET   0          2HG       MET   0  -0.457  19.582   5.505
    8   2HG   MET   0          3HG       MET   0  -1.956  19.230   6.358
    9   1HE   MET   0          3HE       MET   0   0.648  19.775   7.888
   10   2HE   MET   0          1HE       MET   0  -0.868  19.307   8.695
   11   3HE   MET   0          2HE       MET   0   0.650  18.467   9.095
   12    H    ALA   1           H        ALA   1  -1.989  17.131   1.422
   13    HA   ALA   1           HA       ALA   1  -1.866  14.143   1.603
   14   1HB   ALA   1          3HB       ALA   1  -4.233  15.901   0.862
   15   2HB   ALA   1          1HB       ALA   1  -4.159  14.124   0.774
   16   3HB   ALA   1          2HB       ALA   1  -4.045  14.946   2.341
   17    H    ARG   2           H        ARG   2  -0.238  13.927   0.164
   18    HA   ARG   2           HA       ARG   2  -0.705  14.736  -2.683
   19   1HB   ARG   2          1HB       ARG   2   1.950  14.305  -1.273
   20   2HB   ARG   2          2HB       ARG   2   1.704  14.745  -2.967
   21   1HG   ARG   2          1HG       ARG   2   0.312  16.719  -1.378
   22   2HG   ARG   2          2HG       ARG   2   1.882  16.456  -0.631
   23   1HD   ARG   2          1HD       ARG   2   2.927  16.785  -2.922
   24   2HD   ARG   2          2HD       ARG   2   1.341  17.202  -3.558
   25    HE   ARG   2           HE       ARG   2   3.081  18.718  -1.681
   26   1HH1  ARG   2          2HH2      ARG   2  -0.245  18.540  -2.996
   27   2HH1  ARG   2          1HH2      ARG   2  -0.458  20.274  -2.809
   28   1HH2  ARG   2          2HH1      ARG   2   2.707  21.008  -1.580
   29   2HH2  ARG   2          1HH1      ARG   2   1.092  21.584  -1.940
   30    H    ILE   3           H        ILE   3   0.606  13.045  -4.096
   31    HA   ILE   3           HA       ILE   3  -0.254  10.374  -3.355
   32    HB   ILE   3           HB       ILE   3   1.187   9.606  -5.186
   33   1HG1  ILE   3          1HG1      ILE   3   1.622  12.526  -5.909
   34   2HG1  ILE   3          2HG1      ILE   3   2.829  11.563  -5.050
   35   1HG2  ILE   3          3HG2      ILE   3  -1.202  10.138  -5.490
   36   2HG2  ILE   3          1HG2      ILE   3  -0.766  11.787  -5.979
   37   3HG2  ILE   3          2HG2      ILE   3  -0.271  10.401  -6.963
   38   1HD1  ILE   3          3HD1      ILE   3   2.901   9.924  -6.884
   39   2HD1  ILE   3          1HD1      ILE   3   1.762  10.932  -7.803
   40   3HD1  ILE   3          2HD1      ILE   3   3.355  11.564  -7.390
   41    H    ASP   4           H        ASP   4   0.941   8.690  -2.637
   42    HA   ASP   4           HA       ASP   4   3.722   9.143  -1.612
   43   1HB   ASP   4          1HB       ASP   4   2.630   8.224   0.255
   44   2HB   ASP   4          2HB       ASP   4   1.599   7.183  -0.758
   45    HA   PRO   5           HA       PRO   5   4.067   6.492  -5.367
   46   1HB   PRO   5          1HB       PRO   5   6.493   7.433  -6.220
   47   2HB   PRO   5          2HB       PRO   5   4.946   8.258  -6.538
   48   1HG   PRO   5          1HG       PRO   5   7.088   9.087  -4.650
   49   2HG   PRO   5          2HG       PRO   5   5.852  10.047  -5.487
   50   1HD   PRO   5          1HD       PRO   5   5.746   9.041  -2.775
   51   2HD   PRO   5          2HD       PRO   5   4.506   9.957  -3.678
   52    H    THR   6           H        THR   6   7.179   7.339  -3.874
   53    HA   THR   6           HA       THR   6   7.361   4.763  -2.443
   54    HB   THR   6           HB       THR   6   9.547   5.910  -4.256
   55    HG1  THR   6          1HG       THR   6   8.524   4.805  -5.691
   56   1HG2  THR   6          1HG2      THR   6   9.449   3.426  -2.498
   57   2HG2  THR   6          2HG2      THR   6  10.670   3.716  -3.774
   58   3HG2  THR   6          3HG2      THR   6  10.596   4.766  -2.374
   59    H    LYS   7           H        LYS   7   6.506   6.682  -0.997
   60    HA   LYS   7           HA       LYS   7   8.901   7.821   0.323
   61   1HB   LYS   7          1HB       LYS   7   7.207   9.476  -0.743
   62   2HB   LYS   7          2HB       LYS   7   6.145   9.043   0.595
   63   1HG   LYS   7          1HG       LYS   7   8.210   9.573   2.116
   64   2HG   LYS   7          2HG       LYS   7   8.994  10.159   0.638
   65   1HD   LYS   7          1HD       LYS   7   7.163  11.842   0.372
   66   2HD   LYS   7          2HD       LYS   7   6.383  11.221   1.819
   67   1HE   LYS   7          1HE       LYS   7   7.670  13.267   2.316
   68   2HE   LYS   7          2HE       LYS   7   8.255  11.878   3.234
   69   1HZ   LYS   7          1HZ       LYS   7   9.577  12.787   0.731
   70   2HZ   LYS   7          2HZ       LYS   7   9.966  13.368   2.201
   71   3HZ   LYS   7          3HZ       LYS   7  10.178  11.783   1.853
   72    H    LYS   8           H        LYS   8   6.381   8.232   2.364
   73    HA   LYS   8           HA       LYS   8   6.915   5.718   3.874
   74   1HB   LYS   8          1HB       LYS   8   5.588   8.380   4.452
   75   2HB   LYS   8          2HB       LYS   8   5.145   6.943   5.366
   76   1HG   LYS   8          1HG       LYS   8   6.801   8.317   6.501
   77   2HG   LYS   8          2HG       LYS   8   7.331   6.651   6.269
   78   1HD   LYS   8          1HD       LYS   8   8.198   8.830   4.336
   79   2HD   LYS   8          2HD       LYS   8   8.962   8.666   5.917
   80   1HE   LYS   8          1HE       LYS   8   9.478   6.253   5.429
   81   2HE   LYS   8          2HE       LYS   8   8.934   6.479   3.770
   82   1HZ   LYS   8          2HZ       LYS   8  10.694   8.137   3.494
   83   2HZ   LYS   8          3HZ       LYS   8  11.208   7.826   5.043
   84   3HZ   LYS   8          1HZ       LYS   8  11.234   6.674   3.902
   85    H    GLY   9           H        GLY   9   5.807   4.030   3.222
   86   1HA   GLY   9          1HA       GLY   9   3.314   4.211   1.691
   87   2HA   GLY   9          2HA       GLY   9   4.215   2.767   2.205
   88    H    ARG  10           H        ARG  10   3.840   1.911   4.252
   89    HA   ARG  10           HA       ARG  10   2.364   1.310   5.963
   90   1HB   ARG  10          1HB       ARG  10   3.010   2.753   7.903
   91   2HB   ARG  10          2HB       ARG  10   4.350   2.141   6.953
   92   1HG   ARG  10          1HG       ARG  10   4.805   4.201   5.932
   93   2HG   ARG  10          2HG       ARG  10   3.258   4.923   6.390
   94   1HD   ARG  10          1HD       ARG  10   5.173   4.012   8.562
   95   2HD   ARG  10          2HD       ARG  10   5.494   5.493   7.656
   96    HE   ARG  10           HE       ARG  10   2.856   5.010   9.036
   97   1HH1  ARG  10          2HH2      ARG  10   5.834   6.972   9.071
   98   2HH1  ARG  10          1HH2      ARG  10   4.950   8.453   9.412
   99   1HH2  ARG  10          2HH1      ARG  10   1.788   7.056   9.599
  100   2HH2  ARG  10          1HH1      ARG  10   2.816   8.467   9.804
  101    H    ARG  11           H        ARG  11   0.487   1.959   4.339
  102    HA   ARG  11           HA       ARG  11  -0.682   4.428   4.798
  103   1HB   ARG  11          1HB       ARG  11  -0.920   3.040   2.763
  104   2HB   ARG  11          2HB       ARG  11  -2.119   2.036   3.614
  105   1HG   ARG  11          1HG       ARG  11  -3.627   3.854   3.805
  106   2HG   ARG  11          2HG       ARG  11  -2.394   5.059   3.444
  107   1HD   ARG  11          1HD       ARG  11  -3.383   3.013   1.410
  108   2HD   ARG  11          2HD       ARG  11  -4.086   4.617   1.575
  109    HE   ARG  11           HE       ARG  11  -1.789   3.989   0.055
  110   1HH1  ARG  11          2HH2      ARG  11  -3.142   6.557   2.099
  111   2HH1  ARG  11          1HH2      ARG  11  -2.314   7.807   1.238
  112   1HH2  ARG  11          2HH1      ARG  11  -0.339   5.599  -0.746
  113   2HH2  ARG  11          1HH1      ARG  11  -0.509   7.228  -0.136
  114    H    ASN  12           H        ASN  12  -2.681   5.055   5.816
  115    HA   ASN  12           HA       ASN  12  -2.895   3.793   8.458
  116   1HB   ASN  12          1HB       ASN  12  -4.036   5.780   9.136
  117   2HB   ASN  12          2HB       ASN  12  -2.575   6.219   8.267
  118   1HD2  ASN  12          2HD2      ASN  12  -5.902   8.020   7.128
  119   2HD2  ASN  12          1HD2      ASN  12  -5.696   7.153   8.634
  120    H    ARG  13           H        ARG  13  -5.151   4.708   5.808
  121    HA   ARG  13           HA       ARG  13  -7.451   3.797   7.163
  122   1HB   ARG  13          1HB       ARG  13  -8.606   3.901   5.011
  123   2HB   ARG  13          2HB       ARG  13  -7.657   5.331   5.392
  124   1HG   ARG  13          1HG       ARG  13  -6.886   5.226   3.303
  125   2HG   ARG  13          2HG       ARG  13  -5.832   3.952   3.858
  126   1HD   ARG  13          1HD       ARG  13  -6.862   3.060   1.930
  127   2HD   ARG  13          2HD       ARG  13  -7.858   2.341   3.209
  128    HE   ARG  13           HE       ARG  13  -9.267   4.553   2.794
  129   1HH1  ARG  13          2HH2      ARG  13  -8.388   1.926   0.555
  130   2HH1  ARG  13          1HH2      ARG  13  -9.005   2.722  -0.840
  131   1HH2  ARG  13          2HH1      ARG  13 -10.447   5.406   0.990
  132   2HH2  ARG  13          1HH1      ARG  13 -10.445   4.513  -0.511
  133    H    PHE  14           H        PHE  14  -5.832   2.128   4.453
  134    HA   PHE  14           HA       PHE  14  -6.922  -0.484   5.277
  135   1HB   PHE  14          1HB       PHE  14  -6.914  -0.109   2.928
  136   2HB   PHE  14          2HB       PHE  14  -5.275   0.548   2.957
  137    HD1  PHE  14          1HD       PHE  14  -3.292  -0.918   3.337
  138    HD2  PHE  14          2HD       PHE  14  -7.272  -2.553   2.847
  139    HE1  PHE  14          1HE       PHE  14  -2.338  -3.094   2.738
  140    HE2  PHE  14          2HE       PHE  14  -6.281  -4.772   2.411
  141    HZ   PHE  14           HZ       PHE  14  -3.825  -5.053   2.327
  142    H    LYS  15           H        LYS  15  -5.663  -1.956   6.347
  143    HA   LYS  15           HA       LYS  15  -2.794  -1.400   6.845
  144   1HB   LYS  15          1HB       LYS  15  -2.948  -2.515   8.996
  145   2HB   LYS  15          2HB       LYS  15  -4.042  -1.166   9.021
  146   1HG   LYS  15          1HG       LYS  15  -5.449  -3.611   8.077
  147   2HG   LYS  15          2HG       LYS  15  -4.517  -3.951   9.519
  148   1HD   LYS  15          1HD       LYS  15  -6.700  -3.413  10.168
  149   2HD   LYS  15          2HD       LYS  15  -5.659  -2.099  10.710
  150   1HE   LYS  15          1HE       LYS  15  -7.219  -1.970   8.067
  151   2HE   LYS  15          2HE       LYS  15  -7.995  -1.613   9.604
  152   1HZ   LYS  15          2HZ       LYS  15  -5.632  -0.156   8.609
  153   2HZ   LYS  15          3HZ       LYS  15  -7.170   0.382   8.526
  154   3HZ   LYS  15          1HZ       LYS  15  -6.481   0.140   9.998
  155    H    TRP  16           H        TRP  16  -2.089  -3.915   7.687
  156    HA   TRP  16           HA       TRP  16  -3.537  -5.914   5.983
  157   1HB   TRP  16          1HB       TRP  16  -0.594  -5.906   6.730
  158   2HB   TRP  16          2HB       TRP  16  -1.512  -7.265   6.104
  159    HD1  TRP  16           HD       TRP  16  -0.039  -3.940   5.005
  160    HE1  TRP  16          1HE       TRP  16   0.114  -3.843   2.462
  161    HE3  TRP  16          3HE       TRP  16  -2.573  -8.256   3.885
  162    HZ2  TRP  16          2HZ       TRP  16  -0.883  -5.368   0.204
  163    HZ3  TRP  16          3HZ       TRP  16  -2.716  -9.017   1.534
  164    HH2  TRP  16           HH       TRP  16  -2.048  -7.504  -0.312
  165    H    GLY  17           H        GLY  17  -4.397  -7.553   7.167
  166   1HA   GLY  17          1HA       GLY  17  -4.084  -7.539  10.134
  167   2HA   GLY  17          2HA       GLY  17  -5.465  -8.089   9.169
  168    HA   PRO  18           HA       PRO  18  -2.795 -11.804  10.045
  169   1HB   PRO  18          1HB       PRO  18  -4.582 -13.375  11.354
  170   2HB   PRO  18          2HB       PRO  18  -3.846 -11.963  12.164
  171   1HG   PRO  18          1HG       PRO  18  -6.554 -12.117  10.817
  172   2HG   PRO  18          2HG       PRO  18  -6.180 -11.479  12.441
  173   1HD   PRO  18          1HD       PRO  18  -6.416  -9.904  10.183
  174   2HD   PRO  18          2HD       PRO  18  -5.321  -9.467  11.527
  175    H    ALA  19           H        ALA  19  -3.046 -13.981   9.283
  176    HA   ALA  19           HA       ALA  19  -3.421 -15.677   7.960
  177   1HB   ALA  19          1HB       ALA  19  -5.749 -15.496   8.639
  178   2HB   ALA  19          2HB       ALA  19  -6.076 -14.451   7.227
  179   3HB   ALA  19          3HB       ALA  19  -5.517 -16.132   6.993
  180    H    SER  20           H        SER  20  -4.675 -12.856   6.540
  181    HA   SER  20           HA       SER  20  -4.069 -12.680   3.938
  182   1HB   SER  20          1HB       SER  20  -4.924 -11.029   5.881
  183   2HB   SER  20          2HB       SER  20  -3.289 -10.407   5.804
  184    HG   SER  20           HG       SER  20  -5.441 -10.380   3.982
  185    H    GLN  21           H        GLN  21  -1.671 -12.318   6.610
  186    HA   GLN  21           HA       GLN  21   0.502 -11.574   4.823
  187   1HB   GLN  21          1HB       GLN  21   0.611 -12.543   7.706
  188   2HB   GLN  21          2HB       GLN  21   1.935 -11.803   6.788
  189   1HG   GLN  21          1HG       GLN  21  -0.624 -10.526   7.692
  190   2HG   GLN  21          2HG       GLN  21   1.005 -10.129   8.223
  191   1HE2  GLN  21          2HE2      GLN  21  -0.405  -8.659   4.603
  192   2HE2  GLN  21          1HE2      GLN  21  -1.178 -10.030   5.345
  193    H    GLN  22           H        GLN  22  -0.667 -14.705   5.991
  194    HA   GLN  22           HA       GLN  22   1.734 -16.158   5.274
  195   1HB   GLN  22          1HB       GLN  22  -1.220 -16.922   5.583
  196   2HB   GLN  22          2HB       GLN  22  -0.023 -18.039   4.952
  197   1HG   GLN  22          1HG       GLN  22  -0.237 -18.423   7.248
  198   2HG   GLN  22          2HG       GLN  22   1.377 -17.810   6.843
  199   1HE2  GLN  22          2HE2      GLN  22  -1.179 -15.551   9.232
  200   2HE2  GLN  22          1HE2      GLN  22  -1.756 -16.884   8.221
  201    H    ILE  23           H        ILE  23  -1.190 -15.023   3.608
  202    HA   ILE  23           HA       ILE  23  -0.544 -16.480   1.284
  203    HB   ILE  23           HB       ILE  23  -2.467 -14.183   1.798
  204   1HG1  ILE  23          1HG1      ILE  23  -4.163 -15.886   1.212
  205   2HG1  ILE  23          2HG1      ILE  23  -2.887 -17.099   1.005
  206   1HG2  ILE  23          1HG2      ILE  23  -1.656 -13.964  -0.551
  207   2HG2  ILE  23          2HG2      ILE  23  -2.102 -15.643  -0.852
  208   3HG2  ILE  23          3HG2      ILE  23  -3.346 -14.433  -0.463
  209   1HD1  ILE  23          2HD1      ILE  23  -3.542 -15.612   3.556
  210   2HD1  ILE  23          3HD1      ILE  23  -4.171 -17.217   3.124
  211   3HD1  ILE  23          1HD1      ILE  23  -2.433 -17.017   3.394
  212    H    LEU  24           H        LEU  24  -0.153 -13.003   2.251
  213    HA   LEU  24           HA       LEU  24   1.172 -12.005   0.008
  214   1HB   LEU  24          1HB       LEU  24   1.856 -11.572   2.984
  215   2HB   LEU  24          2HB       LEU  24   2.699 -10.758   1.693
  216    HG   LEU  24           HG       LEU  24  -0.177 -10.336   2.510
  217   1HD1  LEU  24          3HD1      LEU  24   1.737  -9.180   3.712
  218   2HD1  LEU  24          1HD1      LEU  24   2.234  -8.485   2.167
  219   3HD1  LEU  24          2HD1      LEU  24   0.665  -8.049   2.848
  220   1HD2  LEU  24          1HD2      LEU  24   1.220  -9.880  -0.088
  221   2HD2  LEU  24          2HD2      LEU  24  -0.498 -10.057   0.269
  222   3HD2  LEU  24          3HD2      LEU  24   0.324  -8.503   0.537
  223    H    PHE  25           H        PHE  25   2.683 -13.595   2.759
  224    HA   PHE  25           HA       PHE  25   5.290 -13.744   1.855
  225   1HB   PHE  25          1HB       PHE  25   3.618 -15.489   3.705
  226   2HB   PHE  25          2HB       PHE  25   5.255 -15.929   3.282
  227    HD1  PHE  25          1HD       PHE  25   4.181 -12.331   3.813
  228    HD2  PHE  25          2HD       PHE  25   6.237 -15.773   5.414
  229    HE1  PHE  25          1HE       PHE  25   5.651 -10.849   5.110
  230    HE2  PHE  25          2HE       PHE  25   7.673 -14.273   6.756
  231    HZ   PHE  25           HZ       PHE  25   7.468 -11.836   6.530
  232    H    GLN  26           H        GLN  26   2.778 -16.345   1.448
  233    HA   GLN  26           HA       GLN  26   4.556 -17.900  -0.063
  234   1HB   GLN  26          1HB       GLN  26   2.797 -19.414  -0.246
  235   2HB   GLN  26          2HB       GLN  26   2.179 -18.396   1.048
  236   1HG   GLN  26          1HG       GLN  26   0.932 -17.103  -0.799
  237   2HG   GLN  26          2HG       GLN  26   1.403 -18.398  -1.896
  238   1HE2  GLN  26          2HE2      GLN  26  -2.085 -18.982  -0.508
  239   2HE2  GLN  26          1HE2      GLN  26  -1.306 -17.687  -1.368
  240    H    ALA  27           H        ALA  27   2.425 -15.260  -1.148
  241    HA   ALA  27           HA       ALA  27   2.483 -15.882  -3.940
  242   1HB   ALA  27          2HB       ALA  27   0.834 -14.421  -2.789
  243   2HB   ALA  27          3HB       ALA  27   2.092 -13.203  -2.524
  244   3HB   ALA  27          1HB       ALA  27   1.603 -13.628  -4.175
  245    H    TYR  28           H        TYR  28   4.310 -13.624  -1.873
  246    HA   TYR  28           HA       TYR  28   6.195 -12.716  -3.778
  247   1HB   TYR  28          1HB       TYR  28   5.770 -11.861  -1.430
  248   2HB   TYR  28          2HB       TYR  28   6.611 -13.242  -0.786
  249    HD1  TYR  28          2HD       TYR  28   7.264 -10.674  -3.509
  250    HD2  TYR  28          1HD       TYR  28   8.764 -12.692   0.005
  251    HE1  TYR  28          2HE       TYR  28   9.289  -9.286  -3.576
  252    HE2  TYR  28          1HE       TYR  28  10.837 -11.347  -0.132
  253    HH   TYR  28           HH       TYR  28  11.997  -9.626  -1.295
  254    H    GLU  29           H        GLU  29   6.311 -15.444  -1.496
  255    HA   GLU  29           HA       GLU  29   8.971 -16.106  -1.988
  256   1HB   GLU  29          1HB       GLU  29   8.728 -17.577  -0.371
  257   2HB   GLU  29          2HB       GLU  29   7.317 -16.657  -0.067
  258   1HG   GLU  29          1HG       GLU  29   6.121 -18.639  -1.299
  259   2HG   GLU  29          2HG       GLU  29   7.677 -19.451  -1.165
  260    H    ARG  30           H        ARG  30   6.004 -17.261  -3.509
  261    HA   ARG  30           HA       ARG  30   7.298 -19.148  -5.269
  262   1HB   ARG  30          1HB       ARG  30   4.941 -19.274  -4.616
  263   2HB   ARG  30          2HB       ARG  30   4.609 -17.721  -5.399
  264   1HG   ARG  30          1HG       ARG  30   5.139 -18.697  -7.612
  265   2HG   ARG  30          2HG       ARG  30   5.625 -20.216  -6.840
  266   1HD   ARG  30          1HD       ARG  30   3.326 -20.417  -7.737
  267   2HD   ARG  30          2HD       ARG  30   3.360 -20.570  -5.992
  268    HE   ARG  30           HE       ARG  30   2.248 -18.572  -5.695
  269   1HH1  ARG  30          2HH2      ARG  30   3.056 -18.885  -9.147
  270   2HH1  ARG  30          1HH2      ARG  30   1.777 -17.810  -9.655
  271   1HH2  ARG  30          2HH1      ARG  30   0.543 -17.120  -6.433
  272   2HH2  ARG  30          1HH1      ARG  30   0.258 -17.096  -8.156
  273    H    GLN  31           H        GLN  31   5.894 -15.841  -5.865
  274    HA   GLN  31           HA       GLN  31   7.667 -15.604  -8.275
  275   1HB   GLN  31          1HB       GLN  31   5.338 -16.400  -8.821
  276   2HB   GLN  31          2HB       GLN  31   4.727 -14.913  -8.115
  277   1HG   GLN  31          1HG       GLN  31   6.304 -13.705  -9.822
  278   2HG   GLN  31          2HG       GLN  31   6.411 -15.280 -10.622
  279   1HE2  GLN  31          2HE2      GLN  31   2.814 -15.181 -11.508
  280   2HE2  GLN  31          1HE2      GLN  31   4.012 -16.305 -10.997
  281    H    LYS  32           H        LYS  32   8.934 -14.386  -6.630
  282    HA   LYS  32           HA       LYS  32   7.889 -11.896  -5.631
  283   1HB   LYS  32          1HB       LYS  32  10.341 -11.443  -5.059
  284   2HB   LYS  32          2HB       LYS  32   9.530 -12.741  -4.254
  285   1HG   LYS  32          1HG       LYS  32  11.090 -13.429  -6.733
  286   2HG   LYS  32          2HG       LYS  32  12.005 -12.910  -5.335
  287   1HD   LYS  32          1HD       LYS  32  10.090 -15.300  -5.366
  288   2HD   LYS  32          2HD       LYS  32  11.838 -15.376  -5.465
  289   1HE   LYS  32          1HE       LYS  32  10.179 -14.435  -3.073
  290   2HE   LYS  32          2HE       LYS  32  11.043 -15.956  -3.241
  291   1HZ   LYS  32          2HZ       LYS  32  12.328 -13.289  -3.074
  292   2HZ   LYS  32          3HZ       LYS  32  12.158 -14.399  -1.880
  293   3HZ   LYS  32          1HZ       LYS  32  13.117 -14.750  -3.114
  294    H    ASN  33           H        ASN  33   7.672 -12.181  -8.533
  295    HA   ASN  33           HA       ASN  33   8.519  -9.445  -9.178
  296   1HB   ASN  33          1HB       ASN  33   9.133 -11.864 -10.904
  297   2HB   ASN  33          2HB       ASN  33   8.789 -10.274 -11.589
  298   1HD2  ASN  33          2HD2      ASN  33  12.401 -10.920  -9.790
  299   2HD2  ASN  33          1HD2      ASN  33  11.166 -12.158  -9.860
  300    HA   PRO  34           HA       PRO  34   4.247 -10.908  -9.098
  301   1HB   PRO  34          1HB       PRO  34   2.936  -8.625  -8.321
  302   2HB   PRO  34          2HB       PRO  34   3.992  -9.578  -7.252
  303   1HG   PRO  34          1HG       PRO  34   4.777  -7.110  -8.832
  304   2HG   PRO  34          2HG       PRO  34   4.972  -7.408  -7.079
  305   1HD   PRO  34          1HD       PRO  34   6.988  -7.898  -8.796
  306   2HD   PRO  34          2HD       PRO  34   6.666  -9.041  -7.453
  307    H    SER  35           H        SER  35   3.700 -11.429 -11.187
  308    HA   SER  35           HA       SER  35   3.650  -9.366 -13.278
  309   1HB   SER  35          1HB       SER  35   3.281 -11.249 -14.800
  310   2HB   SER  35          2HB       SER  35   4.705 -11.486 -13.772
  311    HG   SER  35           HG       SER  35   3.547 -12.934 -12.529
  312    H    LYS  36           H        LYS  36   1.347 -12.005 -12.859
  313    HA   LYS  36           HA       LYS  36  -0.941 -10.124 -12.841
  314   1HB   LYS  36          1HB       LYS  36  -0.334 -10.433 -15.195
  315   2HB   LYS  36          2HB       LYS  36  -0.261 -12.169 -15.018
  316   1HG   LYS  36          1HG       LYS  36  -2.337 -11.134 -16.186
  317   2HG   LYS  36          2HG       LYS  36  -2.571 -12.444 -15.045
  318   1HD   LYS  36          1HD       LYS  36  -4.278 -10.683 -14.790
  319   2HD   LYS  36          2HD       LYS  36  -3.368 -10.995 -13.325
  320   1HE   LYS  36          1HE       LYS  36  -1.871  -8.900 -14.359
  321   2HE   LYS  36          2HE       LYS  36  -3.434  -8.537 -15.072
  322   1HZ   LYS  36          2HZ       LYS  36  -3.389  -9.162 -12.207
  323   2HZ   LYS  36          3HZ       LYS  36  -2.851  -7.667 -12.693
  324   3HZ   LYS  36          1HZ       LYS  36  -4.359  -8.220 -13.014
  325    H    GLU  37           H        GLU  37  -0.637 -13.544 -13.626
  326    HA   GLU  37           HA       GLU  37  -2.732 -14.706 -12.337
  327   1HB   GLU  37          1HB       GLU  37  -1.304 -15.960 -13.718
  328   2HB   GLU  37          2HB       GLU  37   0.157 -15.542 -12.821
  329   1HG   GLU  37          1HG       GLU  37  -2.035 -17.138 -11.477
  330   2HG   GLU  37          2HG       GLU  37  -0.923 -17.895 -12.606
  331    H    GLU  38           H        GLU  38   0.465 -14.362 -10.882
  332    HA   GLU  38           HA       GLU  38  -0.060 -15.129  -8.365
  333   1HB   GLU  38          1HB       GLU  38   2.157 -14.706  -9.136
  334   2HB   GLU  38          2HB       GLU  38   1.834 -12.999  -9.434
  335   1HG   GLU  38          1HG       GLU  38   1.776 -14.202  -6.635
  336   2HG   GLU  38          2HG       GLU  38   3.248 -13.542  -7.373
  337    H    ARG  39           H        ARG  39  -0.183 -11.588  -9.110
  338    HA   ARG  39           HA       ARG  39  -1.304 -11.027  -6.640
  339   1HB   ARG  39          1HB       ARG  39  -2.169  -9.425  -9.094
  340   2HB   ARG  39          2HB       ARG  39  -2.140  -8.945  -7.395
  341   1HG   ARG  39          1HG       ARG  39  -0.191  -7.933  -7.909
  342   2HG   ARG  39          2HG       ARG  39   0.471  -9.537  -7.679
  343   1HD   ARG  39          1HD       ARG  39   1.289  -8.879  -9.801
  344   2HD   ARG  39          2HD       ARG  39  -0.077  -9.881 -10.235
  345    HE   ARG  39           HE       ARG  39  -1.470  -7.777 -10.420
  346   1HH1  ARG  39          2HH2      ARG  39   2.043  -7.571 -11.124
  347   2HH1  ARG  39          1HH2      ARG  39   1.840  -5.969 -11.777
  348   1HH2  ARG  39          2HH1      ARG  39  -1.566  -5.763 -11.255
  349   2HH2  ARG  39          1HH1      ARG  39  -0.122  -4.955 -11.865
  350    H    GLU  40           H        GLU  40  -3.067 -11.800  -9.647
  351    HA   GLU  40           HA       GLU  40  -5.668 -11.298  -8.754
  352   1HB   GLU  40          1HB       GLU  40  -4.405 -12.680 -10.943
  353   2HB   GLU  40          2HB       GLU  40  -5.778 -13.635 -10.360
  354   1HG   GLU  40          1HG       GLU  40  -6.486 -12.076 -12.116
  355   2HG   GLU  40          2HG       GLU  40  -7.284 -11.731 -10.585
  356    H    THR  41           H        THR  41  -3.901 -14.399  -8.661
  357    HA   THR  41           HA       THR  41  -5.566 -15.821  -6.953
  358    HB   THR  41           HB       THR  41  -2.786 -15.961  -7.997
  359    HG1  THR  41          1HG       THR  41  -4.750 -17.875  -7.284
  360   1HG2  THR  41          2HG2      THR  41  -3.190 -17.216  -5.282
  361   2HG2  THR  41          3HG2      THR  41  -1.933 -17.642  -6.472
  362   3HG2  THR  41          1HG2      THR  41  -1.962 -16.017  -5.782
  363    H    LEU  42           H        LEU  42  -2.863 -13.587  -6.039
  364    HA   LEU  42           HA       LEU  42  -2.910 -14.375  -3.312
  365   1HB   LEU  42          1HB       LEU  42  -0.963 -13.376  -3.557
  366   2HB   LEU  42          2HB       LEU  42  -1.480 -12.450  -4.941
  367    HG   LEU  42           HG       LEU  42  -2.419 -10.715  -3.493
  368   1HD1  LEU  42          2HD1      LEU  42  -2.666 -12.176  -1.352
  369   2HD1  LEU  42          3HD1      LEU  42  -0.921 -11.960  -1.172
  370   3HD1  LEU  42          1HD1      LEU  42  -2.016 -10.556  -1.182
  371   1HD2  LEU  42          3HD2      LEU  42   0.504 -11.465  -3.042
  372   2HD2  LEU  42          1HD2      LEU  42  -0.163 -10.506  -4.370
  373   3HD2  LEU  42          2HD2      LEU  42  -0.179  -9.868  -2.713
  374    H    VAL  43           H        VAL  43  -4.461 -11.603  -4.961
  375    HA   VAL  43           HA       VAL  43  -5.786 -10.462  -2.747
  376    HB   VAL  43           HB       VAL  43  -6.708 -10.815  -5.642
  377   1HG1  VAL  43          3HG1      VAL  43  -7.811  -9.161  -3.356
  378   2HG1  VAL  43          1HG1      VAL  43  -8.241  -8.881  -5.058
  379   3HG1  VAL  43          2HG1      VAL  43  -8.679 -10.405  -4.278
  380   1HG2  VAL  43          2HG2      VAL  43  -4.633  -9.433  -5.347
  381   2HG2  VAL  43          3HG2      VAL  43  -6.019  -8.512  -5.929
  382   3HG2  VAL  43          1HG2      VAL  43  -5.525  -8.396  -4.221
  383    H    GLU  44           H        GLU  44  -6.757 -13.104  -4.903
  384    HA   GLU  44           HA       GLU  44  -9.279 -13.640  -3.763
  385   1HB   GLU  44          1HB       GLU  44  -8.007 -14.339  -6.022
  386   2HB   GLU  44          2HB       GLU  44  -7.486 -15.742  -5.095
  387   1HG   GLU  44          1HG       GLU  44  -9.339 -16.170  -6.522
  388   2HG   GLU  44          2HG       GLU  44  -9.803 -16.391  -4.820
  389    H    GLU  45           H        GLU  45  -6.324 -15.602  -3.380
  390    HA   GLU  45           HA       GLU  45  -7.047 -17.326  -1.380
  391   1HB   GLU  45          1HB       GLU  45  -4.609 -16.353  -2.569
  392   2HB   GLU  45          2HB       GLU  45  -4.354 -16.564  -0.862
  393   1HG   GLU  45          1HG       GLU  45  -5.528 -18.759  -2.578
  394   2HG   GLU  45          2HG       GLU  45  -3.792 -18.539  -2.326
  395    H    CYS  46           H        CYS  46  -5.753 -14.012  -1.038
  396    HA   CYS  46           HA       CYS  46  -5.530 -13.929   1.801
  397   1HB   CYS  46          1HB       CYS  46  -5.666 -11.848  -0.401
  398   2HB   CYS  46          2HB       CYS  46  -6.216 -11.326   1.178
  399    HG   CYS  46           HG       CYS  46  -3.895 -10.532   1.032
  400    H    ASN  47           H        ASN  47  -8.051 -12.600  -0.348
  401    HA   ASN  47           HA       ASN  47  -9.964 -11.809   1.602
  402   1HB   ASN  47          1HB       ASN  47  -9.959 -12.492  -1.352
  403   2HB   ASN  47          2HB       ASN  47 -11.493 -12.354  -0.583
  404   1HD2  ASN  47          2HD2      ASN  47  -9.390  -8.989  -1.446
  405   2HD2  ASN  47          1HD2      ASN  47  -8.938 -10.621  -1.929
  406    H    ARG  48           H        ARG  48  -9.631 -14.901  -0.105
  407    HA   ARG  48           HA       ARG  48 -11.895 -16.231   0.874
  408   1HB   ARG  48          1HB       ARG  48 -10.103 -16.896  -0.922
  409   2HB   ARG  48          2HB       ARG  48  -9.200 -17.554   0.437
  410   1HG   ARG  48          1HG       ARG  48 -11.679 -18.691   0.859
  411   2HG   ARG  48          2HG       ARG  48 -11.736 -18.418  -0.885
  412   1HD   ARG  48          1HD       ARG  48 -10.744 -20.479  -0.925
  413   2HD   ARG  48          2HD       ARG  48  -9.266 -19.547  -0.784
  414    HE   ARG  48           HE       ARG  48 -10.710 -21.132   1.273
  415   1HH1  ARG  48          2HH2      ARG  48  -7.642 -19.344   0.585
  416   2HH1  ARG  48          1HH2      ARG  48  -7.068 -19.542   2.148
  417   1HH2  ARG  48          2HH1      ARG  48  -9.705 -21.619   3.272
  418   2HH2  ARG  48          1HH1      ARG  48  -8.160 -20.905   3.655
  419    H    ALA  49           H        ALA  49  -8.515 -16.237   2.146
  420    HA   ALA  49           HA       ALA  49  -9.144 -17.660   4.556
  421   1HB   ALA  49          3HB       ALA  49  -6.877 -17.471   3.586
  422   2HB   ALA  49          1HB       ALA  49  -6.856 -15.736   3.966
  423   3HB   ALA  49          2HB       ALA  49  -6.929 -16.937   5.278
  424    H    GLU  50           H        GLU  50  -9.195 -14.238   3.674
  425    HA   GLU  50           HA       GLU  50  -9.317 -13.143   6.291
  426   1HB   GLU  50          1HB       GLU  50  -8.750 -12.037   3.940
  427   2HB   GLU  50          2HB       GLU  50 -10.489 -11.745   3.916
  428   1HG   GLU  50          1HG       GLU  50  -9.834  -9.824   4.963
  429   2HG   GLU  50          2HG       GLU  50  -9.889 -10.819   6.417
  430    H    CYS  51           H        CYS  51 -11.674 -14.480   4.019
  431    HA   CYS  51           HA       CYS  51 -13.945 -13.605   5.426
  432   1HB   CYS  51          1HB       CYS  51 -15.187 -14.776   3.979
  433   2HB   CYS  51          2HB       CYS  51 -13.677 -14.970   3.076
  434    HG   CYS  51           HG       CYS  51 -15.337 -16.941   5.152
  435    H    ILE  52           H        ILE  52 -11.866 -16.491   5.819
  436    HA   ILE  52           HA       ILE  52 -13.738 -17.933   7.375
  437    HB   ILE  52           HB       ILE  52 -10.721 -18.179   6.991
  438   1HG1  ILE  52          1HG1      ILE  52 -13.123 -19.708   5.875
  439   2HG1  ILE  52          2HG1      ILE  52 -12.125 -18.537   5.002
  440   1HG2  ILE  52          3HG2      ILE  52 -11.279 -19.210   9.161
  441   2HG2  ILE  52          1HG2      ILE  52 -12.545 -20.178   8.370
  442   3HG2  ILE  52          2HG2      ILE  52 -10.826 -20.411   7.974
  443   1HD1  ILE  52          2HD1      ILE  52 -10.141 -20.036   5.341
  444   2HD1  ILE  52          3HD1      ILE  52 -11.258 -21.277   5.968
  445   3HD1  ILE  52          1HD1      ILE  52 -11.440 -20.690   4.312
  446    H    GLN  53           H        GLN  53 -11.023 -15.889   8.188
  447    HA   GLN  53           HA       GLN  53 -10.922 -16.364  10.965
  448   1HB   GLN  53          1HB       GLN  53 -10.082 -13.902  11.151
  449   2HB   GLN  53          2HB       GLN  53  -9.105 -15.147  10.369
  450   1HG   GLN  53          1HG       GLN  53  -9.561 -14.397   8.219
  451   2HG   GLN  53          2HG       GLN  53 -10.977 -13.491   8.733
  452   1HE2  GLN  53          2HE2      GLN  53  -7.561 -11.543   8.201
  453   2HE2  GLN  53          1HE2      GLN  53  -7.723 -13.230   7.853
  454    H    ARG  54           H        ARG  54 -13.500 -14.482   9.304
  455    HA   ARG  54           HA       ARG  54 -14.857 -14.392  11.896
  456   1HB   ARG  54          1HB       ARG  54 -14.878 -12.037   9.976
  457   2HB   ARG  54          2HB       ARG  54 -15.596 -12.244  11.541
  458   1HG   ARG  54          1HG       ARG  54 -13.835 -10.877  12.125
  459   2HG   ARG  54          2HG       ARG  54 -13.166 -12.466  12.458
  460   1HD   ARG  54          1HD       ARG  54 -11.478 -11.323  11.300
  461   2HD   ARG  54          2HD       ARG  54 -12.167 -12.340  10.042
  462    HE   ARG  54           HE       ARG  54 -12.359  -9.406  10.316
  463   1HH1  ARG  54          2HH2      ARG  54 -12.930 -12.005   7.977
  464   2HH1  ARG  54          1HH2      ARG  54 -14.161 -11.125   7.166
  465   1HH2  ARG  54          2HH1      ARG  54 -13.661  -8.249   9.187
  466   2HH2  ARG  54          1HH1      ARG  54 -14.921  -8.992   8.204
  467    H    GLY  55           H        GLY  55 -15.071 -16.206   9.585
  468   1HA   GLY  55          1HA       GLY  55 -16.752 -17.138   8.341
  469   2HA   GLY  55          2HA       GLY  55 -17.913 -16.038   9.086
  470    H    VAL  56           H        VAL  56 -17.784 -13.718   8.212
  471    HA   VAL  56           HA       VAL  56 -18.533 -12.414   6.496
  472    HB   VAL  56           HB       VAL  56 -15.998 -13.527   5.536
  473   1HG1  VAL  56          1HG1      VAL  56 -17.134 -13.796   3.445
  474   2HG1  VAL  56          2HG1      VAL  56 -17.681 -12.087   3.478
  475   3HG1  VAL  56          3HG1      VAL  56 -15.965 -12.496   3.359
  476   1HG2  VAL  56          2HG2      VAL  56 -16.098 -11.364   6.786
  477   2HG2  VAL  56          3HG2      VAL  56 -15.198 -11.358   5.273
  478   3HG2  VAL  56          1HG2      VAL  56 -16.792 -10.624   5.317
  479    H    SER  57           H        SER  57 -19.610 -12.496   4.260
  480    HA   SER  57           HA       SER  57 -21.024 -15.056   3.788
  481   1HB   SER  57          1HB       SER  57 -21.315 -12.285   3.054
  482   2HB   SER  57          2HB       SER  57 -21.337 -13.274   1.614
  483    HG   SER  57           HG       SER  57 -22.935 -13.837   3.896
  484    HA   PRO  58           HA       PRO  58 -16.992 -15.856   1.911
  485   1HB   PRO  58          1HB       PRO  58 -17.456 -18.255   0.568
  486   2HB   PRO  58          2HB       PRO  58 -17.093 -18.083   2.307
  487   1HG   PRO  58          1HG       PRO  58 -19.812 -18.334   0.997
  488   2HG   PRO  58          2HG       PRO  58 -19.204 -19.196   2.440
  489   1HD   PRO  58          1HD       PRO  58 -20.794 -17.033   2.695
  490   2HD   PRO  58          2HD       PRO  58 -19.389 -17.227   3.785
  491    H    SER  59           H        SER  59 -19.929 -16.010  -0.102
  492    HA   SER  59           HA       SER  59 -18.665 -15.770  -2.666
  493   1HB   SER  59          1HB       SER  59 -21.040 -14.709  -3.112
  494   2HB   SER  59          2HB       SER  59 -20.866 -16.430  -2.766
  495    HG   SER  59           HG       SER  59 -22.498 -15.598  -1.497
  496    H    GLN  60           H        GLN  60 -19.355 -13.559  -0.080
  497    HA   GLN  60           HA       GLN  60 -18.875 -11.149  -1.716
  498   1HB   GLN  60          1HB       GLN  60 -20.987 -11.651  -0.243
  499   2HB   GLN  60          2HB       GLN  60 -19.929 -11.352   1.144
  500   1HG   GLN  60          1HG       GLN  60 -19.602  -9.063   0.480
  501   2HG   GLN  60          2HG       GLN  60 -20.380  -9.337  -1.089
  502   1HE2  GLN  60          2HE2      GLN  60 -23.728  -9.541   0.269
  503   2HE2  GLN  60          1HE2      GLN  60 -22.677 -10.027  -1.044
  504    H    ALA  61           H        ALA  61 -16.652 -12.952  -0.911
  505    HA   ALA  61           HA       ALA  61 -15.389 -11.717   1.360
  506   1HB   ALA  61          1HB       ALA  61 -14.714 -13.954   0.554
  507   2HB   ALA  61          2HB       ALA  61 -14.025 -13.207  -0.908
  508   3HB   ALA  61          3HB       ALA  61 -13.353 -12.837   0.694
  509    H    GLN  62           H        GLN  62 -15.548 -10.855  -2.007
  510    HA   GLN  62           HA       GLN  62 -13.624  -8.768  -1.954
  511   1HB   GLN  62          1HB       GLN  62 -14.456  -8.076  -3.981
  512   2HB   GLN  62          2HB       GLN  62 -14.908  -9.770  -3.924
  513   1HG   GLN  62          1HG       GLN  62 -16.847  -8.774  -4.747
  514   2HG   GLN  62          2HG       GLN  62 -17.237  -8.879  -3.033
  515   1HE2  GLN  62          2HE2      GLN  62 -17.547  -5.317  -2.839
  516   2HE2  GLN  62          1HE2      GLN  62 -17.903  -6.870  -2.097
  517    H    GLY  63           H        GLY  63 -16.670  -9.065  -0.359
  518   1HA   GLY  63          1HA       GLY  63 -17.025  -6.213   0.263
  519   2HA   GLY  63          2HA       GLY  63 -18.047  -7.567   0.716
  520    H    LEU  64           H        LEU  64 -14.566  -7.954   1.234
  521    HA   LEU  64           HA       LEU  64 -14.845  -7.998   4.078
  522   1HB   LEU  64          1HB       LEU  64 -12.692  -8.364   2.072
  523   2HB   LEU  64          2HB       LEU  64 -12.114  -7.538   3.491
  524    HG   LEU  64           HG       LEU  64 -11.724  -9.773   3.881
  525   1HD1  LEU  64          1HD1      LEU  64 -12.730  -8.249   5.674
  526   2HD1  LEU  64          2HD1      LEU  64 -14.062  -9.423   5.612
  527   3HD1  LEU  64          3HD1      LEU  64 -12.386  -9.978   5.938
  528   1HD2  LEU  64          2HD2      LEU  64 -14.521 -10.445   3.232
  529   2HD2  LEU  64          3HD2      LEU  64 -12.999 -10.923   2.405
  530   3HD2  LEU  64          1HD2      LEU  64 -13.313 -11.515   4.036
  531    H    GLY  65           H        GLY  65 -16.138  -5.912   4.123
  532   1HA   GLY  65          1HA       GLY  65 -14.839  -3.349   3.685
  533   2HA   GLY  65          2HA       GLY  65 -16.429  -3.654   4.409
  534    H    SER  66           H        SER  66 -13.059  -4.354   5.144
  535    HA   SER  66           HA       SER  66 -12.956  -3.218   7.784
  536   1HB   SER  66          1HB       SER  66 -14.156  -5.800   7.593
  537   2HB   SER  66          2HB       SER  66 -12.472  -6.144   7.823
  538    HG   SER  66           HG       SER  66 -12.998  -5.832   9.848
  539    H    ASN  67           H        ASN  67 -11.823  -5.579   5.352
  540    HA   ASN  67           HA       ASN  67  -8.984  -5.169   6.178
  541   1HB   ASN  67          1HB       ASN  67 -10.700  -7.622   5.751
  542   2HB   ASN  67          2HB       ASN  67  -8.994  -7.768   5.590
  543   1HD2  ASN  67          2HD2      ASN  67  -9.374  -8.572   9.124
  544   2HD2  ASN  67          1HD2      ASN  67  -8.885  -9.192   7.547
  545    H    LEU  68           H        LEU  68 -11.254  -5.391   3.564
  546    HA   LEU  68           HA       LEU  68 -10.426  -7.031   1.847
  547   1HB   LEU  68          1HB       LEU  68 -12.257  -5.701   1.353
  548   2HB   LEU  68          2HB       LEU  68 -11.307  -4.205   1.219
  549    HG   LEU  68           HG       LEU  68 -10.212  -5.271  -0.860
  550   1HD1  LEU  68          2HD1      LEU  68 -12.408  -7.322  -0.372
  551   2HD1  LEU  68          3HD1      LEU  68 -11.498  -7.150  -1.893
  552   3HD1  LEU  68          1HD1      LEU  68 -10.656  -7.574  -0.402
  553   1HD2  LEU  68          2HD2      LEU  68 -13.181  -4.794  -0.914
  554   2HD2  LEU  68          3HD2      LEU  68 -11.903  -3.578  -1.110
  555   3HD2  LEU  68          1HD2      LEU  68 -12.122  -4.845  -2.332
  556    H    VAL  69           H        VAL  69  -8.555  -7.632   1.139
  557    HA   VAL  69           HA       VAL  69  -6.415  -5.817   0.196
  558    HB   VAL  69           HB       VAL  69  -6.810  -8.836   0.055
  559   1HG1  VAL  69          3HG1      VAL  69  -4.439  -7.111  -0.768
  560   2HG1  VAL  69          1HG1      VAL  69  -4.391  -8.881  -0.592
  561   3HG1  VAL  69          2HG1      VAL  69  -5.418  -8.149  -1.828
  562   1HG2  VAL  69          3HG2      VAL  69  -6.391  -7.882   2.356
  563   2HG2  VAL  69          1HG2      VAL  69  -5.063  -8.882   1.778
  564   3HG2  VAL  69          2HG2      VAL  69  -4.932  -7.109   1.733
  565    H    THR  70           H        THR  70  -6.379  -4.992  -1.855
  566    HA   THR  70           HA       THR  70  -7.849  -6.387  -4.038
  567    HB   THR  70           HB       THR  70  -8.202  -4.262  -5.097
  568    HG1  THR  70          1HG       THR  70  -7.515  -2.384  -4.344
  569   1HG2  THR  70          2HG2      THR  70  -9.841  -5.011  -3.318
  570   2HG2  THR  70          3HG2      THR  70  -9.041  -3.878  -2.198
  571   3HG2  THR  70          1HG2      THR  70  -9.857  -3.271  -3.645
  572    H    GLU  71           H        GLU  71  -6.688  -6.101  -6.153
  573    HA   GLU  71           HA       GLU  71  -3.981  -6.685  -6.097
  574   1HB   GLU  71          1HB       GLU  71  -5.451  -7.022  -8.014
  575   2HB   GLU  71          2HB       GLU  71  -5.459  -5.266  -8.328
  576   1HG   GLU  71          1HG       GLU  71  -2.978  -5.381  -8.688
  577   2HG   GLU  71          2HG       GLU  71  -3.043  -7.123  -8.403
  578    H    VAL  72           H        VAL  72  -5.541  -3.456  -6.224
  579    HA   VAL  72           HA       VAL  72  -3.123  -1.961  -6.503
  580    HB   VAL  72           HB       VAL  72  -5.860  -1.379  -5.493
  581   1HG1  VAL  72          2HG1      VAL  72  -3.530   0.544  -5.267
  582   2HG1  VAL  72          3HG1      VAL  72  -5.245   1.010  -5.223
  583   3HG1  VAL  72          1HG1      VAL  72  -4.593  -0.035  -3.956
  584   1HG2  VAL  72          2HG2      VAL  72  -5.347  -1.477  -7.911
  585   2HG2  VAL  72          3HG2      VAL  72  -5.820   0.157  -7.408
  586   3HG2  VAL  72          1HG2      VAL  72  -4.110  -0.216  -7.703
  587    H    ARG  73           H        ARG  73  -4.766  -3.165  -3.526
  588    HA   ARG  73           HA       ARG  73  -2.848  -1.930  -1.738
  589   1HB   ARG  73          1HB       ARG  73  -4.610  -4.370  -1.342
  590   2HB   ARG  73          2HB       ARG  73  -3.691  -3.562  -0.088
  591   1HG   ARG  73          1HG       ARG  73  -5.947  -2.250  -1.705
  592   2HG   ARG  73          2HG       ARG  73  -6.068  -2.926  -0.088
  593   1HD   ARG  73          1HD       ARG  73  -5.733  -0.772   0.503
  594   2HD   ARG  73          2HD       ARG  73  -4.067  -1.327   0.472
  595    HE   ARG  73           HE       ARG  73  -5.440   0.099  -1.810
  596   1HH1  ARG  73          2HH2      ARG  73  -2.659  -0.030   0.401
  597   2HH1  ARG  73          1HH2      ARG  73  -1.860   1.318  -0.368
  598   1HH2  ARG  73          2HH1      ARG  73  -4.512   2.029  -2.563
  599   2HH2  ARG  73          1HH1      ARG  73  -2.940   2.559  -2.003
  600    H    VAL  74           H        VAL  74  -3.063  -5.124  -3.314
  601    HA   VAL  74           HA       VAL  74  -0.762  -6.301  -2.228
  602    HB   VAL  74           HB       VAL  74  -2.161  -6.514  -4.903
  603   1HG1  VAL  74          3HG1      VAL  74   0.241  -8.074  -4.002
  604   2HG1  VAL  74          1HG1      VAL  74  -0.883  -8.604  -5.280
  605   3HG1  VAL  74          2HG1      VAL  74   0.039  -7.122  -5.499
  606   1HG2  VAL  74          1HG2      VAL  74  -3.352  -7.329  -2.900
  607   2HG2  VAL  74          2HG2      VAL  74  -2.943  -8.617  -4.028
  608   3HG2  VAL  74          3HG2      VAL  74  -1.990  -8.409  -2.545
  609    H    TYR  75           H        TYR  75  -1.166  -4.227  -5.122
  610    HA   TYR  75           HA       TYR  75   1.423  -4.055  -6.025
  611   1HB   TYR  75          1HB       TYR  75  -0.866  -2.888  -6.805
  612   2HB   TYR  75          2HB       TYR  75  -0.198  -1.503  -5.951
  613    HD1  TYR  75          1HD       TYR  75   2.040  -0.555  -6.713
  614    HD2  TYR  75          2HD       TYR  75   0.004  -3.703  -8.846
  615    HE1  TYR  75          1HE       TYR  75   3.531  -0.205  -8.663
  616    HE2  TYR  75          2HE       TYR  75   1.502  -3.360 -10.766
  617    HH   TYR  75           HH       TYR  75   3.320  -2.275 -11.587
  618    H    ASN  76           H        ASN  76  -0.089  -2.275  -3.338
  619    HA   ASN  76           HA       ASN  76   2.082  -0.462  -2.927
  620   1HB   ASN  76          1HB       ASN  76  -0.020  -1.469  -0.943
  621   2HB   ASN  76          2HB       ASN  76   1.254  -0.356  -0.510
  622   1HD2  ASN  76          2HD2      ASN  76  -1.234   1.120  -3.404
  623   2HD2  ASN  76          1HD2      ASN  76  -0.991  -0.583  -3.347
  624    H    TRP  77           H        TRP  77   1.319  -3.637  -1.337
  625    HA   TRP  77           HA       TRP  77   3.617  -3.371   0.423
  626   1HB   TRP  77          1HB       TRP  77   3.006  -5.264   1.397
  627   2HB   TRP  77          2HB       TRP  77   1.486  -5.053   0.538
  628    HD1  TRP  77           HD       TRP  77   1.184  -6.666  -1.601
  629    HE1  TRP  77          1HE       TRP  77   2.171  -8.926  -2.254
  630    HE3  TRP  77          3HE       TRP  77   5.069  -6.836   1.736
  631    HZ2  TRP  77          2HZ       TRP  77   3.949 -10.787  -1.057
  632    HZ3  TRP  77          3HZ       TRP  77   6.070  -9.027   2.241
  633    HH2  TRP  77           HH       TRP  77   5.642 -10.986   0.793
  634    H    PHE  78           H        PHE  78   3.108  -5.232  -2.668
  635    HA   PHE  78           HA       PHE  78   5.773  -6.155  -2.721
  636   1HB   PHE  78          1HB       PHE  78   3.870  -5.529  -5.003
  637   2HB   PHE  78          2HB       PHE  78   5.474  -6.214  -5.237
  638    HD1  PHE  78          2HD       PHE  78   5.896  -8.287  -3.286
  639    HD2  PHE  78          1HD       PHE  78   2.352  -7.257  -5.535
  640    HE1  PHE  78          2HE       PHE  78   5.111 -10.630  -3.185
  641    HE2  PHE  78          1HE       PHE  78   1.677  -9.621  -5.504
  642    HZ   PHE  78           HZ       PHE  78   3.038 -11.316  -4.283
  643    H    ALA  79           H        ALA  79   4.414  -3.116  -4.015
  644    HA   ALA  79           HA       ALA  79   6.717  -2.124  -5.249
  645   1HB   ALA  79          2HB       ALA  79   4.541  -0.582  -3.794
  646   2HB   ALA  79          3HB       ALA  79   5.753   0.103  -4.887
  647   3HB   ALA  79          1HB       ALA  79   4.567  -1.040  -5.518
  648    H    ASN  80           H        ASN  80   5.924  -2.268  -1.792
  649    HA   ASN  80           HA       ASN  80   8.225  -0.540  -1.078
  650   1HB   ASN  80          1HB       ASN  80   5.993  -1.855   0.497
  651   2HB   ASN  80          2HB       ASN  80   7.401  -1.157   1.285
  652   1HD2  ASN  80          2HD2      ASN  80   4.566   1.321  -0.298
  653   2HD2  ASN  80          1HD2      ASN  80   4.461  -0.434  -0.400
  654    H    ARG  81           H        ARG  81   7.162  -3.877  -0.418
  655    HA   ARG  81           HA       ARG  81   9.376  -4.911   0.838
  656   1HB   ARG  81          1HB       ARG  81   7.181  -6.027   0.461
  657   2HB   ARG  81          2HB       ARG  81   7.571  -6.200  -1.248
  658   1HG   ARG  81          1HG       ARG  81   7.864  -8.295  -0.246
  659   2HG   ARG  81          2HG       ARG  81   9.473  -7.707  -0.630
  660   1HD   ARG  81          1HD       ARG  81   8.170  -7.503   2.120
  661   2HD   ARG  81          2HD       ARG  81   9.128  -8.874   1.608
  662    HE   ARG  81           HE       ARG  81  11.081  -7.341   1.259
  663   1HH1  ARG  81          2HH2      ARG  81   8.628  -6.385   3.708
  664   2HH1  ARG  81          1HH2      ARG  81   9.862  -6.266   4.934
  665   1HH2  ARG  81          2HH1      ARG  81  12.561  -6.751   2.746
  666   2HH2  ARG  81          1HH1      ARG  81  12.099  -5.867   4.205
  667    H    ARG  82           H        ARG  82   8.797  -4.816  -2.735
  668    HA   ARG  82           HA       ARG  82  11.321  -5.927  -3.389
  669   1HB   ARG  82          1HB       ARG  82  10.922  -5.443  -5.626
  670   2HB   ARG  82          2HB       ARG  82   9.376  -5.858  -4.880
  671   1HG   ARG  82          1HG       ARG  82   9.077  -3.248  -4.669
  672   2HG   ARG  82          2HG       ARG  82  10.389  -3.144  -5.845
  673   1HD   ARG  82          1HD       ARG  82   7.941  -4.912  -6.292
  674   2HD   ARG  82          2HD       ARG  82   7.892  -3.221  -6.700
  675    HE   ARG  82           HE       ARG  82   9.398  -5.357  -8.066
  676   1HH1  ARG  82          2HH2      ARG  82   8.893  -1.889  -7.767
  677   2HH1  ARG  82          1HH2      ARG  82   9.210  -1.513  -9.422
  678   1HH2  ARG  82          2HH1      ARG  82   9.835  -4.982 -10.186
  679   2HH2  ARG  82          1HH1      ARG  82   9.746  -3.393 -10.927
  680    H    LYS  83           H        LYS  83  10.319  -2.512  -2.964
  681    HA   LYS  83           HA       LYS  83  12.759  -1.251  -3.768
  682   1HB   LYS  83          1HB       LYS  83  10.382  -0.582  -2.098
  683   2HB   LYS  83          2HB       LYS  83  11.856   0.196  -1.553
  684   1HG   LYS  83          1HG       LYS  83  10.433   1.487  -3.044
  685   2HG   LYS  83          2HG       LYS  83  12.104   1.389  -3.563
  686   1HD   LYS  83          1HD       LYS  83  11.643   0.158  -5.450
  687   2HD   LYS  83          2HD       LYS  83  10.266  -0.668  -4.753
  688   1HE   LYS  83          1HE       LYS  83  10.270   2.296  -5.563
  689   2HE   LYS  83          2HE       LYS  83   9.670   0.971  -6.551
  690   1HZ   LYS  83          1HZ       LYS  83   8.114   0.465  -4.705
  691   2HZ   LYS  83          2HZ       LYS  83   8.502   1.835  -3.948
  692   3HZ   LYS  83          3HZ       LYS  83   7.819   1.927  -5.407
  693    H    GLU  84           H        GLU  84  11.698  -2.596  -0.605
  694    HA   GLU  84           HA       GLU  84  14.144  -1.844   0.654
  695   1HB   GLU  84          1HB       GLU  84  11.526  -2.779   1.385
  696   2HB   GLU  84          2HB       GLU  84  12.652  -3.993   1.962
  697   1HG   GLU  84          1HG       GLU  84  12.862  -0.991   2.494
  698   2HG   GLU  84          2HG       GLU  84  12.122  -2.151   3.601
  699    H    GLU  85           H        GLU  85  13.426  -4.353  -1.574
  700    HA   GLU  85           HA       GLU  85  15.957  -5.752  -0.876
  701   1HB   GLU  85          1HB       GLU  85  13.590  -6.955  -0.709
  702   2HB   GLU  85          2HB       GLU  85  13.730  -7.069  -2.457
  703   1HG   GLU  85          1HG       GLU  85  15.968  -8.169  -2.177
  704   2HG   GLU  85          2HG       GLU  85  15.825  -7.967  -0.439
  705    H    ALA  86           H        ALA  86  15.448  -3.339  -2.503
  706    HA   ALA  86           HA       ALA  86  16.919  -4.199  -4.940
  707   1HB   ALA  86          2HB       ALA  86  14.551  -4.447  -5.625
  708   2HB   ALA  86          3HB       ALA  86  14.223  -2.764  -5.157
  709   3HB   ALA  86          1HB       ALA  86  15.349  -3.102  -6.465
  710    H    PHE  87           H        PHE  87  15.071  -1.385  -3.724
  711    HA   PHE  87           HA       PHE  87  16.967   0.568  -4.644
  712   1HB   PHE  87          1HB       PHE  87  14.736   0.621  -2.562
  713   2HB   PHE  87          2HB       PHE  87  15.887   1.919  -2.691
  714    HD1  PHE  87          1HD       PHE  87  14.737   0.151  -5.797
  715    HD2  PHE  87          2HD       PHE  87  14.282   3.618  -3.237
  716    HE1  PHE  87          1HE       PHE  87  13.375   1.258  -7.520
  717    HE2  PHE  87          2HE       PHE  87  12.913   4.698  -4.978
  718    HZ   PHE  87           HZ       PHE  87  12.434   3.527  -7.102
  719    H    ARG  88           H        ARG  88  16.289  -0.791  -1.418
  720    HA   ARG  88           HA       ARG  88  18.444   0.074   0.084
  721   1HB   ARG  88          1HB       ARG  88  16.592  -1.219   0.984
  722   2HB   ARG  88          2HB       ARG  88  16.967  -2.562  -0.095
  723   1HG   ARG  88          1HG       ARG  88  17.513  -3.204   2.072
  724   2HG   ARG  88          2HG       ARG  88  19.012  -3.081   1.179
  725   1HD   ARG  88          1HD       ARG  88  17.839  -1.042   3.148
  726   2HD   ARG  88          2HD       ARG  88  19.031  -2.232   3.586
  727    HE   ARG  88           HE       ARG  88  19.481   0.318   2.360
  728   1HH1  ARG  88          2HH2      ARG  88  20.810  -3.023   2.409
  729   2HH1  ARG  88          1HH2      ARG  88  22.144  -2.537   1.358
  730   1HH2  ARG  88          2HH1      ARG  88  21.806   0.897   2.016
  731   2HH2  ARG  88          1HH1      ARG  88  22.737  -0.352   1.206
  732    H    HIS  89           H        HIS  89  18.290  -2.765  -2.072
  733    HA   HIS  89           HA       HIS  89  20.936  -3.639  -1.427
  734   1HB   HIS  89          1HB       HIS  89  18.649  -4.610  -2.914
  735   2HB   HIS  89          2HB       HIS  89  20.029  -4.720  -3.973
  736    HD1  HIS  89          1HD       HIS  89  22.242  -6.099  -2.776
  737    HD2  HIS  89          2HD       HIS  89  18.371  -6.476  -1.137
  738    HE1  HIS  89          1HE       HIS  89  22.288  -8.133  -1.238
  739    H    LYS  90           H        LYS  90  19.726  -1.399  -3.845
  740    HA   LYS  90           HA       LYS  90  22.146  -1.596  -5.521
  741   1HB   LYS  90          1HB       LYS  90  19.570   0.042  -5.592
  742   2HB   LYS  90          2HB       LYS  90  20.922   0.391  -6.671
  743   1HG   LYS  90          1HG       LYS  90  19.700  -2.391  -6.518
  744   2HG   LYS  90          2HG       LYS  90  19.028  -1.118  -7.549
  745   1HD   LYS  90          1HD       LYS  90  21.250  -0.832  -8.653
  746   2HD   LYS  90          2HD       LYS  90  21.932  -2.094  -7.651
  747   1HE   LYS  90          1HE       LYS  90  21.501  -2.987  -9.812
  748   2HE   LYS  90          2HE       LYS  90  20.358  -3.749  -8.697
  749   1HZ   LYS  90          2HZ       LYS  90  19.731  -1.490 -10.480
  750   2HZ   LYS  90          3HZ       LYS  90  19.408  -3.050 -10.806
  751   3HZ   LYS  90          1HZ       LYS  90  18.645  -2.302  -9.547
  752    H    LEU  91           H        LEU  91  20.509   0.894  -3.478
  753    HA   LEU  91           HA       LEU  91  22.699   2.610  -3.656
  754   1HB   LEU  91          1HB       LEU  91  21.689   3.913  -1.871
  755   2HB   LEU  91          2HB       LEU  91  20.541   3.430  -3.110
  756    HG   LEU  91           HG       LEU  91  20.150   1.389  -1.375
  757   1HD1  LEU  91          3HD1      LEU  91  21.830   2.216   0.206
  758   2HD1  LEU  91          1HD1      LEU  91  20.859   3.689   0.428
  759   3HD1  LEU  91          2HD1      LEU  91  20.191   2.096   0.874
  760   1HD2  LEU  91          2HD2      LEU  91  18.408   2.972  -2.246
  761   2HD2  LEU  91          3HD2      LEU  91  18.209   2.634  -0.515
  762   3HD2  LEU  91          1HD2      LEU  91  18.934   4.170  -1.047
  763    H    ALA  92           H        ALA  92  24.464   2.891  -2.264
  764    HA   ALA  92           HA       ALA  92  26.025   2.391  -0.682
  765   1HB   ALA  92          2HB       ALA  92  24.462   0.993   0.662
  766   2HB   ALA  92          3HB       ALA  92  24.922  -0.397  -0.364
  767   3HB   ALA  92          1HB       ALA  92  26.150   0.434   0.598
  768    H    MET  93           H        MET  93  27.074   2.806  -2.608
  769    HA   MET  93           HA       MET  93  28.712   2.560  -3.964
  770   1HB   MET  93          1HB       MET  93  30.465   1.266  -3.377
  771   2HB   MET  93          2HB       MET  93  29.486   1.156  -1.923
  772   1HG   MET  93          1HG       MET  93  28.630  -1.119  -2.997
  773   2HG   MET  93          2HG       MET  93  29.984  -0.901  -4.097
  774   1HE   MET  93          3HE       MET  93  28.811  -1.725  -0.504
  775   2HE   MET  93          1HE       MET  93  30.343  -1.807   0.399
  776   3HE   MET  93          2HE       MET  93  29.721  -0.234  -0.142
  777    H    ASP  94           H        ASP  94  26.054   1.304  -4.785
  778    HA   ASP  94           HA       ASP  94  27.141   0.912  -7.548
  779   1HB   ASP  94          1HB       ASP  94  26.151  -1.188  -7.231
  780   2HB   ASP  94          2HB       ASP  94  24.864  -0.576  -6.219
  781    H    THR  95           H        THR  95  24.135   1.555  -5.892
  782    HA   THR  95           HA       THR  95  22.487   3.031  -6.131
  783    HB   THR  95           HB       THR  95  23.073   5.478  -6.746
  784    HG1  THR  95          1HG       THR  95  25.277   4.714  -7.443
  785   1HG2  THR  95          3HG2      THR  95  24.214   4.185  -4.241
  786   2HG2  THR  95          1HG2      THR  95  23.874   5.918  -4.446
  787   3HG2  THR  95          2HG2      THR  95  22.537   4.760  -4.478
  788    H    TYR  96           H        TYR  96  21.073   4.091  -7.737
  789    HA   TYR  96           HA       TYR  96  21.756   3.173 -10.490
  790   1HB   TYR  96          1HB       TYR  96  20.709   1.414  -8.773
  791   2HB   TYR  96          2HB       TYR  96  19.209   2.187  -9.240
  792    HD1  TYR  96          1HD       TYR  96  22.336   0.589 -10.583
  793    HD2  TYR  96          2HD       TYR  96  18.130   1.313 -11.226
  794    HE1  TYR  96          1HE       TYR  96  22.363  -0.925 -12.526
  795    HE2  TYR  96          2HE       TYR  96  18.203  -0.084 -13.256
  796    HH   TYR  96           HH       TYR  96  21.042  -2.053 -14.085
  797    H    LYS  97           H        LYS  97  19.804   3.312 -11.888
  798    HA   LYS  97           HA       LYS  97  18.746   5.863 -12.245
  799   1HB   LYS  97          1HB       LYS  97  18.804   4.052 -13.871
  800   2HB   LYS  97          2HB       LYS  97  17.574   3.137 -12.997
  801   1HG   LYS  97          1HG       LYS  97  17.012   5.985 -13.839
  802   2HG   LYS  97          2HG       LYS  97  17.010   4.704 -15.069
  803   1HD   LYS  97          1HD       LYS  97  15.379   3.400 -13.721
  804   2HD   LYS  97          2HD       LYS  97  15.240   4.755 -12.605
  805   1HE   LYS  97          1HE       LYS  97  14.604   4.747 -15.598
  806   2HE   LYS  97          2HE       LYS  97  13.423   4.727 -14.283
  807   1HZ   LYS  97          1HZ       LYS  97  14.182   6.879 -13.615
  808   2HZ   LYS  97          2HZ       LYS  97  15.268   6.950 -14.892
  809   3HZ   LYS  97          3HZ       LYS  97  13.664   6.871 -15.193
  810    H    LEU  98           H        LEU  98  17.203   3.023 -10.674
  811    HA   LEU  98           HA       LEU  98  15.940   2.836  -8.819
  812   1HB   LEU  98          1HB       LEU  98  17.928   4.626  -8.217
  813   2HB   LEU  98          2HB       LEU  98  16.536   5.619  -7.862
  814    HG   LEU  98           HG       LEU  98  15.766   3.448  -6.509
  815   1HD1  LEU  98          3HD1      LEU  98  18.809   3.167  -6.696
  816   2HD1  LEU  98          1HD1      LEU  98  17.813   2.378  -5.480
  817   3HD1  LEU  98          2HD1      LEU  98  17.594   1.968  -7.194
  818   1HD2  LEU  98          1HD2      LEU  98  17.919   5.358  -5.528
  819   2HD2  LEU  98          2HD2      LEU  98  16.162   5.639  -5.517
  820   3HD2  LEU  98          3HD2      LEU  98  16.861   4.366  -4.504
  821    H    ASN  99           H        ASN  99  14.449   3.297 -10.936
  822    HA   ASN  99           HA       ASN  99  12.566   4.118 -11.884
  823   1HB   ASN  99          2HB       ASN  99  11.778   4.460  -8.968
  824   2HB   ASN  99          3HB       ASN  99  10.730   4.920 -10.293
  825   1HD2  ASN  99          2HD2      ASN  99  11.478   0.914 -10.537
  826   2HD2  ASN  99          1HD2      ASN  99  12.842   2.003 -10.400
   
  No H/Q in entry =         826