*HEADER   MOLECULAR CHAPERONE                     09-MAY-96   1HDJ    
*TITLE    HUMAN HSP40 (HDJ-1), NMR                                    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: HUMAN HSP40;                                     
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: J-DOMAIN;                                        
*COMPND  5 SYNONYM: HDJ-1;                                            
*COMPND  6 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*KEYWDS   MOLECULAR CHAPERONE                                         
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   Y.Q.QIAN,D.PATEL,F.-U.HARTL,D.J.MCCOLL                      
*REVDAT  1   08-NOV-96 1HDJ    0                                      


Upper limits for distances:

  0 MET  
         HA      2 LYS+ HN      3.20
  2 LYS+ 
         HN      2 LYS+ HB2     3.50
         HN      2 LYS+ HB3     3.50
         HA      3 ASP- HN      3.30
         QB      3 ASP- HN      4.48
         QE      4 TYR  CZ      8.00
  3 ASP- 
         HN      3 ASP- HB2     3.70
         HN      3 ASP- HB3     3.70
         HA      4 TYR  HN      3.50
         HA     63 PHE  CZ      7.00
         HA     63 PHE  HZ      4.50
         QB      6 GLN  HN      5.88
  4 TYR  
         HN      4 TYR  HB2     3.80
         HN      4 TYR  HB3     4.10
         HA      4 TYR  HB3     3.00
         HA      7 THR  HN      3.80
         HA      7 THR  QG2     6.00
         HA     50 ALA  HA      3.80
         HB2     5 TYR  HN      4.60
         HB2    54 LEU  QD1     5.80
         HB2    54 LEU  QD2     5.80
         HB2    54 LEU  QQD     5.43
         HB3     5 TYR  HN      5.00
         HB3     5 TYR  CG      7.00
         HB3    54 LEU  QD1     6.00
         HB3    54 LEU  QD2     6.00
         HB3    54 LEU  QQD     5.49
         CG      5 TYR  HN      6.70
         CG      5 TYR  QB      7.88
         CG      7 THR  HB      7.00
         CG      7 THR  QG2     8.00
         CG     50 ALA  HN      7.00
         CG     50 ALA  HA      6.50
         CG     50 ALA  QB      6.50
         CG     53 VAL  HB      7.00
         CG     53 VAL  QG1     8.00
         CG     53 VAL  QG2     8.00
         CG     54 LEU  QD1     8.00
         CG     54 LEU  QD2     8.00
         CG     63 PHE  QB      8.00
         CG     63 PHE  CG      9.00
         CG     63 PHE  CZ      9.00
         CG     63 PHE  HZ      7.00
         CZ     49 GLU- HB2     7.00
         CZ     49 GLU- HB3     5.90
         CZ     49 GLU- QG      8.00
         CZ     50 ALA  HA      7.00
         CZ     50 ALA  QB      7.80
         CZ     53 VAL  QG1     7.70
         CZ     53 VAL  QG2     7.70
         CZ     63 PHE  QB      8.00
         CZ     63 PHE  CG      9.00
         CZ     63 PHE  CZ      9.00
         CZ     71 LEU  QD1     8.00
         CZ     71 LEU  QD2     8.00
         CZ     71 LEU  QQD     7.59
  5 TYR  
         HN      5 TYR  HB2     3.40
         HN      5 TYR  HB3     3.40
         HN     54 LEU  QD1     6.00
         HN     54 LEU  QD2     6.00
         HA      5 TYR  CZ      5.60
         HA     10 LEU  HN      4.60
         HA     10 LEU  QB      6.00
         HA     19 ILE  QD1     6.00
         HA     54 LEU  QD1     6.00
         HA     54 LEU  QD2     6.00
         HA     54 LEU  QQD     5.02
         HB2     6 GLN  HN      3.60
         HB2    54 LEU  QD1     9.14
         HB2    54 LEU  QD2     9.14
         HB3     6 GLN  HN      3.60
         HB3    54 LEU  QD1     9.14
         HB3    54 LEU  QD2     9.14
         QB     11 ALA  HN      5.88
         QB     54 LEU  QQD     7.52
         CG     10 LEU  QB      7.10
         CG     10 LEU  QD1     7.20
         CG     11 ALA  HN      7.00
         CG     12 ARG+ HA      7.00
         CG     12 ARG+ QB      8.00
         CG     14 ALA  QB      7.80
         CG     54 LEU  QD1     8.00
         CG     54 LEU  QD2     8.00
         CG     63 PHE  CZ      8.70
         CG     63 PHE  HZ      7.00
         CZ     10 LEU  QB      8.00
         CZ     10 LEU  QD1     8.00
         CZ     12 ARG+ HA      6.90
         CZ     12 ARG+ QB      8.00
         CZ     12 ARG+ QG      8.00
         CZ     14 ALA  QB      8.00
         CZ     19 ILE  QD1     8.00
         CZ     54 LEU  QD1     8.00
         CZ     54 LEU  QD2     8.00
         CZ     63 PHE  CG      9.00
         CZ     63 PHE  CZ      8.90
         CZ     63 PHE  HZ      7.00
         CZ     64 ASP- HA      7.00
  6 GLN  
         HN      6 GLN  HB2     3.10
         HN      6 GLN  HB3     3.40
         HN      6 GLN  QG      5.88
         HN      7 THR  HN      3.30
         HA      6 GLN  HB2     2.80
         HA      6 GLN  HB3     3.00
         HA      6 GLN  HG2     4.10
         HA      6 GLN  HG3     4.10
         HA      9 GLY  HN      3.80
         HA     10 LEU  HN      3.80
         HA     10 LEU  QD1     6.00
         HB2     7 THR  HN      3.90
         HB3     7 THR  HN      3.90
  7 THR  
         HN      7 THR  HB      3.10
         HN      8 LEU  HN      3.80
         HA      7 THR  QG2     3.70
         HA      8 LEU  HN      3.40
         HA      9 GLY  HN      3.80
         HA     50 ALA  QB      6.00
         HB      8 LEU  HN      3.10
         HB      8 LEU  QQD     7.57
         HB     50 ALA  QB      4.30
         QG2     8 LEU  HN      6.00
         QG2     8 LEU  HA      6.00
         QG2    46 GLU- HB2     6.00
         QG2    46 GLU- HB3     5.70
         QG2    46 GLU- HG2     6.00
         QG2    47 ILE  HN      6.00
         QG2    47 ILE  HA      4.60
         QG2    50 ALA  HN      6.00
  8 LEU  
         HN      8 LEU  HB2     3.00
         HN      8 LEU  HB3     3.00
         HN      8 LEU  HG      4.70
         HN      8 LEU  QD1     5.50
         HN      8 LEU  QD2     5.50
         HN      8 LEU  QQD     4.97
         HN      9 GLY  HN      3.20
         HN     10 LEU  HN      4.80
         HA      8 LEU  HB2     3.00
         HA      8 LEU  HB3     3.00
         HA      8 LEU  QD1     4.60
         HA      8 LEU  QD2     4.60
         HA     26 GLN  HB3     4.90
         HA     26 GLN  QG      4.38
         HA     26 GLN  HE21    5.00
         HA     26 GLN  HE22    5.00
         HA     47 ILE  QG1     5.88
         HA     50 ALA  QB      6.00
         HB2    54 LEU  QD1     6.85
         HB2    54 LEU  QD2     6.85
         HB3    54 LEU  QD1     6.85
         HB3    54 LEU  QD2     6.85
         QB      9 GLY  HN      4.78
         QB     54 LEU  QQD     5.75
         QD1    23 TYR  HN      6.00
         QD1    23 TYR  HB2     5.80
         QD1    23 TYR  HB3     6.00
         QD1    23 TYR  CG      7.50
         QD1    26 GLN  HN      6.00
         QD1    26 GLN  HB3     6.00
         QD1    26 GLN  HG2     7.75
         QD1    26 GLN  HG3     7.75
         QD1    51 TYR  CZ      8.00
         QD1    54 LEU  QD1    10.14
         QD1    54 LEU  QD2    10.14
         QD2    23 TYR  HN      6.00
         QD2    23 TYR  HB2     5.80
         QD2    23 TYR  HB3     6.00
         QD2    23 TYR  CG      7.50
         QD2    26 GLN  HN      6.00
         QD2    26 GLN  HB3     6.00
         QD2    26 GLN  HG2     7.75
         QD2    26 GLN  HG3     7.75
         QD2    51 TYR  CZ      8.00
         QD2    54 LEU  QD1    10.14
         QD2    54 LEU  QD2    10.14
         QQD     9 GLY  HN      7.57
         QQD    23 TYR  HN      5.20
         QQD    23 TYR  HB3     5.49
         QQD    23 TYR  CG      6.75
         QQD    26 GLN  HA      7.57
         QQD    26 GLN  HB3     5.34
         QQD    26 GLN  QG      6.54
         QQD    26 GLN  HE21    7.57
         QQD    47 ILE  HA      5.87
         QQD    51 TYR  HN      7.57
         QQD    51 TYR  HB2     7.57
         QQD    51 TYR  CZ      7.35
         QQD    54 LEU  QQD     7.39
  9 GLY  
         HN     10 LEU  HN      2.70
 10 LEU  
         HN     10 LEU  QB      3.50
         HN     10 LEU  HG      4.70
         HN     10 LEU  QD1     5.30
         HN     10 LEU  QD2     5.40
         HA     10 LEU  HG      3.70
         HA     10 LEU  QD1     4.90
         HA     10 LEU  QD2     3.80
         HA     11 ALA  QB      6.00
         HA     14 ALA  QB      6.00
         QD1    19 ILE  HA      4.60
         QD1    22 ALA  HA      6.00
         QD2    18 GLU- HB2     5.80
         QD2    18 GLU- QG      6.88
 11 ALA  
         HN     14 ALA  QB      5.10
         HA     12 ARG+ HN      2.50
         HA     12 ARG+ QB      5.30
         HA     12 ARG+ HD2     5.00
         HA     12 ARG+ HD3     5.00
         HA     12 ARG+ QD      4.44
         QB     12 ARG+ HN      3.80
         QB     13 GLY  HN      5.60
         QB     14 ALA  HN      6.00
 12 ARG+ 
         HN     12 ARG+ QB      3.50
         HN     12 ARG+ QG      6.00
         HN     12 ARG+ HD2     5.00
         HN     12 ARG+ HD3     5.00
         HA     13 GLY  HN      2.60
         HA     14 ALA  HN      4.10
         QB     12 ARG+ HE      6.00
         QB     13 GLY  HN      4.50
         QG     13 GLY  HN      6.00
 13 GLY  
         HN     14 ALA  HN      3.20
 14 ALA  
         HN     14 ALA  QB      3.50
         HN     15 SER  HN      4.60
         HA     15 SER  HN      2.60
         HA     18 GLU- HB2     4.00
         QB     19 ILE  HN      6.00
 15 SER  
         HN     15 SER  HB2     4.00
         HN     18 GLU- HN      4.40
         HN     18 GLU- HB2     3.20
         HN     18 GLU- HB3     3.80
         HN     18 GLU- HG2     5.00
         HN     18 GLU- HG3     5.00
         HN     18 GLU- QG      4.53
         HA     15 SER  HB2     2.80
         HA     15 SER  HB3     2.90
         HA     16 ASP- HA      4.10
         HB2    16 ASP- HN      3.60
         HB2    17 GLU- HN      3.90
         HB3    16 ASP- HN      4.70
 16 ASP- 
         HN     16 ASP- QB      3.70
         HN     17 GLU- HN      3.30
         HN     19 ILE  QD1     6.00
         HA     18 GLU- HN      4.40
         HA     19 ILE  HN      3.60
         HA     19 ILE  HB      3.30
         HA     19 ILE  QD1     4.50
         HA     20 LYS+ HN      4.10
         QB     17 GLU- HN      4.40
 17 GLU- 
         HN     17 GLU- HB2     3.10
         HN     17 GLU- HB3     3.10
         HN     17 GLU- QG      6.00
         HN     18 GLU- HN      3.40
         HN     18 GLU- HB2     4.20
         HA     17 GLU- HB2     3.00
         HA     17 GLU- HB3     3.00
         HA     21 ARG+ QB      5.08
 18 GLU- 
         HN     18 GLU- HB2     2.80
         HN     18 GLU- HB3     3.00
         HN     18 GLU- HG2     4.60
         HN     18 GLU- HG3     4.60
         HN     18 GLU- QG      4.22
         HN     19 ILE  HN      2.90
         HN     19 ILE  HA      4.70
         HN     19 ILE  QD1     6.00
         HN     21 ARG+ HN      5.00
         HA     18 GLU- HB2     2.90
         HA     18 GLU- HB3     3.00
         HB2    19 ILE  HN      3.30
 19 ILE  
         HN     19 ILE  HB      2.70
         HN     19 ILE  QG1     4.10
         HN     19 ILE  QD1     4.70
         HN     20 LYS+ HN      2.90
         HA     19 ILE  QG1     4.00
         HA     19 ILE  QD1     4.30
         HA     21 ARG+ HN      5.00
         HA     22 ALA  HN      4.90
         QG2    20 LYS+ HN      6.00
         QG2    20 LYS+ HA      5.50
         QG2    23 TYR  CZ      7.10
         QG2    55 SER  HN      6.00
         QG2    55 SER  HA      5.00
         QG2    55 SER  HB2     6.00
         QG2    55 SER  HB3     6.00
         QD1    54 LEU  HA      4.20
         QD1    54 LEU  QD1     7.00
         QD1    54 LEU  QD2     7.00
         QD1    54 LEU  QQD     6.28
         QD1    60 ARG+ HD2     6.00
         QD1    60 ARG+ HD3     6.00
         QD1    60 ARG+ QD      5.84
         QD1    60 ARG+ HE      6.00
         QD1    60 ARG+ QH2     7.00
 20 LYS+ 
         HN     20 LYS+ QB      3.50
         HN     20 LYS+ QG      4.38
         HN     21 ARG+ HN      2.90
         HN     23 TYR  CZ      7.00
         HA     20 LYS+ HG2     3.70
         HA     20 LYS+ HG3     3.70
         HA     23 TYR  HN      4.10
         HA     23 TYR  HB3     4.40
         HA     23 TYR  CZ      5.30
         QB     23 TYR  CZ      8.00
         HG2    23 TYR  CZ      7.00
         HG3    23 TYR  CZ      7.00
         QG     23 TYR  CZ      6.75
 21 ARG+ 
         HN     21 ARG+ HB2     3.20
         HN     21 ARG+ HB3     3.20
         HN     21 ARG+ QG      5.88
         HN     22 ALA  HN      2.90
         HN     22 ALA  QB      6.00
         HB2    22 ALA  HN      3.50
         HB3    22 ALA  HN      3.50
 22 ALA  
         HN     22 ALA  QB      3.40
         HA     25 ARG+ HN      3.80
         HA     26 GLN  HB2     4.70
 23 TYR  
         HN     23 TYR  HB2     3.00
         HN     23 TYR  HB3     3.00
         HN     23 TYR  CZ      6.00
         HN     24 ARG+ HN      3.50
         HA     26 GLN  HN      3.90
         HA     26 GLN  HB3     3.70
         HB2    24 ARG+ HN      4.30
         HB2    51 TYR  CZ      7.00
         HB3    24 ARG+ HN      3.40
         HB3    51 TYR  CZ      7.00
         CG     24 ARG+ HN      7.00
         CG     24 ARG+ HA      7.00
         CG     24 ARG+ QB      8.00
         CG     24 ARG+ QG      8.00
         CG     27 ALA  HN      7.00
         CG     27 ALA  QB      8.00
         CZ     55 SER  HA      7.00
         CZ     55 SER  HB2     7.00
         CZ     55 SER  HB3     6.00
 24 ARG+ 
         HN     24 ARG+ QB      3.50
         HN     24 ARG+ QG      5.60
         HN     25 ARG+ HN      2.80
         HA     27 ALA  HN      4.20
         HA     27 ALA  QB      4.80
         HA     28 LEU  QQD     7.40
         HA     51 TYR  CZ      7.00
         QB     51 TYR  CZ      8.00
         QG     51 TYR  CZ      8.00
 25 ARG+ 
         HN     25 ARG+ QB      3.50
         HN     25 ARG+ QG      5.10
         HN     26 GLN  HN      3.10
         HA     28 LEU  HN      4.20
         HA     28 LEU  QB      4.58
         HA     28 LEU  QQD     7.20
         QB     26 GLN  HN      4.30
 26 GLN  
         HN     26 GLN  HB2     2.70
         HN     26 GLN  HB3     3.70
         HN     26 GLN  HG2     5.00
         HN     26 GLN  HG3     5.00
         HN     26 GLN  QG      4.14
         HN     27 ALA  HN      3.10
         HN     27 ALA  QB      6.00
         HN     28 LEU  HN      5.00
         HA     26 GLN  HB2     3.00
         HA     26 GLN  HB3     3.00
         HA     26 GLN  HG2     3.70
         HA     26 GLN  HG3     3.70
         HA     27 ALA  HN      3.60
         HA     29 ARG+ HN      3.80
         HA     29 ARG+ HB2     3.10
         HA     29 ARG+ HB3     3.10
         HA     30 TYR  CG      7.00
         HA     30 TYR  CZ      7.00
         HA     47 ILE  QD1     6.00
         HB2    47 ILE  QG2     4.50
         HB3    27 ALA  HN      4.10
         HB3    30 TYR  CG      7.00
         HB3    30 TYR  CZ      7.00
         HB3    47 ILE  QG1     5.88
         HB3    47 ILE  QD1     4.70
         HG2    47 ILE  QD1     6.00
         HG3    47 ILE  QD1     6.00
         QG     47 ILE  QG1     6.75
         HE21   47 ILE  QD1     5.90
 27 ALA  
         HN     28 LEU  HN      3.00
         HN     29 ARG+ HN      4.70
         HN     47 ILE  QG2     6.00
         HN     47 ILE  QD1     6.00
         HA     30 TYR  HN      4.10
         HA     31 HIS  HN      5.00
         HA     44 PHE  CZ      6.80
         HA     47 ILE  HB      5.00
         HA     47 ILE  QG2     4.40
         QB     28 LEU  HN      4.40
         QB     28 LEU  HA      6.00
         QB     29 ARG+ HN      6.00
         QB     31 HIS  HD2     6.00
         QB     44 PHE  CG      8.00
         QB     44 PHE  CZ      7.50
         QB     51 TYR  CZ      7.90
 28 LEU  
         HN     28 LEU  HB2     3.10
         HN     28 LEU  HB3     3.10
         HN     28 LEU  QQD     8.40
         HA     28 LEU  HB2     3.00
         HA     28 LEU  HB3     3.00
         HA     31 HIS  HN      4.10
         HA     31 HIS  HB2     3.50
         HA     31 HIS  HB3     4.20
         HA     31 HIS  HD2     5.00
         QB     29 ARG+ HN      4.68
         QQD    31 HIS  HD2     7.40
 29 ARG+ 
         HN     29 ARG+ HB2     3.10
         HN     29 ARG+ HB3     3.10
         HN     29 ARG+ HG2     5.00
         HN     29 ARG+ HG3     4.20
         HN     30 TYR  HN      2.90
         HA     29 ARG+ HB2     3.00
         HA     29 ARG+ HB3     3.00
         HA     29 ARG+ HG2     4.10
         HA     29 ARG+ HG3     3.40
         HA     30 TYR  HN      3.60
         HB2    30 TYR  HN      4.10
         HB2    30 TYR  CZ      7.00
         HB3    30 TYR  HN      4.10
         HB3    30 TYR  CZ      7.00
         HG2    30 TYR  CZ      7.00
         QD     30 TYR  CZ      8.00
 30 TYR  
         HN     30 TYR  HB2     3.10
         HN     30 TYR  HB3     3.80
         HN     35 ASN  HD21    4.80
         HA     30 TYR  HB3     2.90
         HA     30 TYR  CZ      5.60
         HA     35 ASN  HB2     4.20
         HA     35 ASN  HB3     4.20
         HA     35 ASN  QB      3.96
         HA     35 ASN  HD21    5.00
         HA     40 ALA  QB      5.40
         HB2    31 HIS  HN      4.00
         HB2    47 ILE  QD1     6.00
         HB3    40 ALA  QB      6.00
         HB3    44 PHE  HN      5.00
         CG     35 ASN  HD21    7.00
         CG     40 ALA  HA      6.10
         CG     40 ALA  QB      7.00
         CG     43 LYS+ HB3     7.00
         CG     43 LYS+ QD      8.00
         CG     47 ILE  QD1     6.90
         CZ     40 ALA  HA      7.00
         CZ     40 ALA  QB      8.00
         CZ     43 LYS+ HB3     7.00
         CZ     43 LYS+ HG2     7.00
         CZ     43 LYS+ HG3     7.00
         CZ     43 LYS+ QD      8.00
         CZ     43 LYS+ QE      8.00
         CZ     47 ILE  QD1     8.00
 31 HIS  
         HN     31 HIS  HB2     2.90
         HN     31 HIS  HB3     3.10
         HA     31 HIS  HB2     3.00
         HA     31 HIS  HB3     3.00
         HA     31 HIS  HD2     5.00
         HA     32 PRO  QG      4.38
         HA     44 PHE  CG      7.00
         HA     44 PHE  CZ      7.00
         HB2    31 HIS  HD2     3.90
         HB2    44 PHE  CZ      7.00
         HB3    34 LYS+ HN      4.00
         HD2    34 LYS+ HB2     5.00
         HD2    44 PHE  CZ      6.80
         HE1    32 PRO  QG      5.88
         HE1    33 ASP- QB      5.40
 32 PRO  
         HG2    33 ASP- HN      5.00
         HG2    44 PHE  CZ      7.00
         HG3    33 ASP- HN      5.00
         HG3    44 PHE  CZ      7.00
         QD     33 ASP- HA      6.00
 33 ASP- 
         HN     34 LYS+ HN      3.40
         HA     34 LYS+ HN      3.50
 34 LYS+ 
         HN     34 LYS+ HB2     3.40
         HN     34 LYS+ HB3     2.90
         HN     34 LYS+ QD      6.00
         HN     35 ASN  HN      2.90
         HA     34 LYS+ HB2     3.00
         HA     34 LYS+ HB3     3.00
         HA     34 LYS+ QD      5.70
         HA     35 ASN  HN      3.60
         HB2    34 LYS+ QE      5.90
         HB3    34 LYS+ QE      5.80
         HB3    35 ASN  HN      3.50
         QG     35 ASN  HA      6.00
 35 ASN  
         HN     35 ASN  HB2     3.50
         HN     35 ASN  HB3     3.50
         HN     36 LYS+ HN      3.70
         HN     36 LYS+ HA      4.30
         QB     37 GLU- HA      5.28
         HD21   40 ALA  QB      6.00
         HD22   40 ALA  QB      6.00
 36 LYS+ 
         HN     36 LYS+ HB2     3.30
         HN     36 LYS+ HG2     5.00
         HN     36 LYS+ HG3     5.00
         HN     36 LYS+ QG      4.68
         HA     36 LYS+ HB2     2.90
         HA     36 LYS+ HB3     2.90
         HA     36 LYS+ HG2     4.20
         HA     36 LYS+ HG3     4.20
         HA     37 GLU- HN      3.50
 37 GLU- 
         HN     37 GLU- HB2     3.20
         HN     37 GLU- HB3     3.10
         HN     37 GLU- HG2     4.30
         HN     37 GLU- HG3     4.30
         HN     40 ALA  QB      5.70
         HA     37 GLU- HB2     2.70
         HA     38 PRO  HD2     3.30
         HA     38 PRO  HD3     2.90
         HA     40 ALA  QB      5.40
 38 PRO  
         HA     39 GLY  HN      2.90
         HB3    39 GLY  HN      4.00
 39 GLY  
         HN     40 ALA  HN      3.40
         HN     41 GLU- HN      4.50
 40 ALA  
         HN     40 ALA  HA      2.90
         HN     40 ALA  QB      3.60
         HN     41 GLU- HN      3.30
         HA     43 LYS+ HB3     3.20
         HA     43 LYS+ HG2     5.00
         HA     43 LYS+ HG3     5.00
         HA     43 LYS+ QD      6.00
         QB     42 GLU- HN      6.00
 41 GLU- 
         HN     41 GLU- HB2     3.00
         HN     41 GLU- HB3     2.70
         HN     41 GLU- HG2     5.00
         HN     41 GLU- HG3     5.00
         HN     42 GLU- HN      3.00
         HN     43 LYS+ HN      4.50
         HA     41 GLU- HB2     2.80
         HA     42 GLU- HN      3.50
         HA     44 PHE  HN      3.90
 42 GLU- 
         HN     42 GLU- HB2     2.80
         HN     42 GLU- HB3     2.80
         HN     42 GLU- HG2     4.80
         HN     42 GLU- HG3     4.80
         HN     43 LYS+ HN      3.00
         HN     44 PHE  HN      4.60
         HA     42 GLU- HG2     3.70
         HA     42 GLU- HG3     3.70
         HA     43 LYS+ HN      3.50
         HA     45 LYS+ HN      4.40
         HA     45 LYS+ QG      5.20
 43 LYS+ 
         HN     43 LYS+ HA      2.70
         HN     43 LYS+ HB2     2.60
         HN     43 LYS+ HB3     3.20
         HN     43 LYS+ HG2     4.90
         HN     43 LYS+ HG3     4.90
         HN     43 LYS+ QG      4.53
         HN     43 LYS+ QD      6.00
         HN     44 PHE  HN      3.00
         HA     43 LYS+ HB3     3.00
         HA     43 LYS+ QD      5.50
         HA     46 GLU- HN      4.40
         HB2    44 PHE  HN      3.30
         HB3    44 PHE  HN      3.50
 44 PHE  
         HN     44 PHE  HB2     2.90
         HN     44 PHE  HB3     3.00
         HN     45 LYS+ HN      3.20
         HA     44 PHE  HB2     3.00
         HA     47 ILE  QD1     4.50
         HB2    45 LYS+ HN      3.80
         HB3    45 LYS+ HN      3.20
         CG     45 LYS+ HN      7.00
         CG     45 LYS+ HA      7.00
         CG     47 ILE  HB      7.00
         CG     48 ALA  QB      8.00
         CZ     45 LYS+ HA      7.00
         CZ     47 ILE  QG2     8.00
         CZ     47 ILE  QD1     8.00
         CZ     48 ALA  QB      8.00
         CZ     51 TYR  CZ      9.00
 45 LYS+ 
         HN     45 LYS+ HA      2.80
         HN     45 LYS+ QB      3.70
         HN     45 LYS+ QG      4.60
         HN     46 GLU- HN      2.80
 46 GLU- 
         HN     46 GLU- HB2     2.90
         HN     46 GLU- HB3     3.10
         HN     46 GLU- HG2     3.90
         HN     46 GLU- HG3     4.00
         HN     47 ILE  HN      2.70
         HA     46 GLU- HB2     2.70
         HA     46 GLU- HG2     3.60
         HA     46 GLU- HG3     4.20
         HA     49 GLU- HN      3.80
         HB2    47 ILE  HN      3.30
         HB3    47 ILE  HN      3.30
         HG2    47 ILE  HN      5.00
 47 ILE  
         HN     47 ILE  HB      2.50
         HN     47 ILE  QG2     4.70
         HN     47 ILE  HG12    3.70
         HN     47 ILE  HG13    3.70
         HN     47 ILE  QG1     3.39
         HN     47 ILE  QD1     5.40
         HA     47 ILE  HG12    3.70
         HA     47 ILE  HG13    3.70
         HA     47 ILE  QD1     4.40
         HA     50 ALA  HN      3.60
         HA     50 ALA  QB      4.10
         HA     51 TYR  HN      4.30
         QG2    51 TYR  HN      6.00
         QG2    51 TYR  HB2     6.00
         QD1    51 TYR  CZ      8.00
 48 ALA  
         HN     48 ALA  HA      2.90
         HN     48 ALA  QB      3.60
         HN     49 GLU- HN      2.70
         HA     51 TYR  HB2     4.00
         HA     51 TYR  HB3     4.00
         HA     51 TYR  CZ      5.50
         HA     52 ASP- HN      4.00
         QB     49 GLU- HN      4.30
         QB     51 TYR  CZ      8.00
 49 GLU- 
         HN     49 GLU- HB2     2.80
         HN     49 GLU- HB3     3.20
         HN     49 GLU- QG      6.00
         HN     51 TYR  HN      3.70
         HA     49 GLU- HB2     2.80
         HA     49 GLU- HB3     3.00
         HA     52 ASP- HN      3.80
         HA     52 ASP- HB2     4.00
         HA     52 ASP- HB3     4.00
         QG     53 VAL  QG2     7.00
 50 ALA  
         HN     50 ALA  QB      3.60
         HN     51 TYR  HN      3.10
         HA     53 VAL  QG2     6.00
         QB     51 TYR  HN      4.40
         QB     54 LEU  QQD     8.57
 51 TYR  
         HN     51 TYR  HB2     2.40
         HN     51 TYR  HB3     2.80
         HA     51 TYR  HB2     3.00
         CG     52 ASP- HA      7.00
 52 ASP- 
         HN     52 ASP- HB2     2.90
         HN     52 ASP- HB3     3.00
         HN     53 VAL  HN      3.40
         HN     53 VAL  QG2     6.00
         HA     52 ASP- HB2     2.90
         HA     52 ASP- HB3     3.00
         HA     55 SER  HN      5.00
         HB2    53 VAL  HN      3.70
         HB2    53 VAL  QG2     6.00
         HB3    53 VAL  HN      3.40
         HB3    53 VAL  QG2     6.00
 53 VAL  
         HN     53 VAL  HB      2.80
         HN     53 VAL  QG2     4.30
         HN     54 LEU  HN      3.00
         HA     56 ASP- HN      5.00
         HB     54 LEU  HN      3.10
         QG1    54 LEU  HN      5.60
         QG1    54 LEU  HB3     6.00
         QG1    59 LYS+ HB3     6.00
         QG1    59 LYS+ HG2     6.00
         QG1    59 LYS+ HG3     6.00
         QG1    60 ARG+ HN      6.00
         QG1    60 ARG+ HA      4.40
         QG1    63 PHE  HN      6.00
         QG1    63 PHE  QB      6.00
         QG1    63 PHE  CG      8.00
         QG1    71 LEU  QQD     7.77
         QG2    54 LEU  HN      6.00
         QG2    59 LYS+ HB2     6.00
         QG2    59 LYS+ HB3     6.00
         QG2    59 LYS+ QG      6.88
         QG2    60 ARG+ QD      6.88
         QG2    71 LEU  QQD     7.97
 54 LEU  
         HN     54 LEU  HB2     3.20
         HN     54 LEU  HB3     3.40
         HN     54 LEU  HG      4.40
         HN     54 LEU  QD1     6.00
         HN     54 LEU  QD2     6.00
         HN     54 LEU  QQD     5.34
         HN     55 SER  HN      3.20
         HA     54 LEU  HB3     3.00
         HA     54 LEU  HG      3.30
         HA     54 LEU  QD1     5.40
         HA     54 LEU  QD2     5.40
         HA     56 ASP- HN      5.00
         HB2    55 SER  HN      4.30
         QD1    60 ARG+ HD2     9.14
         QD1    60 ARG+ HD3     9.14
         QD1    63 PHE  CZ      8.00
         QD2    60 ARG+ HD2     9.14
         QD2    60 ARG+ HD3     9.14
         QD2    63 PHE  CZ      8.00
         QQD    60 ARG+ HG2     7.57
         QQD    60 ARG+ HG3     7.57
         QQD    60 ARG+ QD      7.42
         QQD    60 ARG+ HE      7.57
         QQD    63 PHE  CG      9.27
 55 SER  
         HN     55 SER  HB2     4.20
         HN     55 SER  HB3     3.50
         HN     56 ASP- HN      3.20
         HA     55 SER  HB2     2.80
         HA     55 SER  HB3     2.90
 56 ASP- 
         HN     56 ASP- HB2     3.10
         HN     56 ASP- HB3     2.90
         HA     56 ASP- HB2     2.80
         HA     57 PRO  HA      4.60
         HA     57 PRO  QB      5.68
         HA     57 PRO  HD2     2.70
         HA     57 PRO  HD3     2.70
         HA     58 ARG+ HN      5.00
         HB2    59 LYS+ HN      5.00
 57 PRO  
         HA     60 ARG+ HN      3.90
         HA     60 ARG+ QB      4.60
         HA     60 ARG+ QD      5.88
         QB     58 ARG+ QD      6.35
 58 ARG+ 
         HN     58 ARG+ QB      3.50
         HN     58 ARG+ HG2     4.80
         HN     58 ARG+ HG3     4.80
         HN     58 ARG+ QG      4.57
         HN     59 LYS+ HN      3.20
         HN     60 ARG+ HN      5.00
         HA     58 ARG+ HG2     3.70
         HA     58 ARG+ HG3     3.70
         HA     58 ARG+ HD2     5.00
         HA     58 ARG+ HD3     5.00
         HA     61 GLU- HN      3.70
         HA     61 GLU- HB2     3.90
         HA     61 GLU- HB3     3.90
         HA     61 GLU- HG2     5.00
         HA     61 GLU- HG3     5.00
 59 LYS+ 
         HN     59 LYS+ HB2     2.70
         HN     59 LYS+ HB3     3.20
         HN     59 LYS+ QG      4.68
         HN     59 LYS+ QE      6.00
         HN     60 ARG+ HN      3.10
         HA     59 LYS+ HB2     2.60
         HA     62 ILE  HN      4.50
         HB3    60 ARG+ HN      3.40
         QE     60 ARG+ HN      6.00
 60 ARG+ 
         HN     60 ARG+ QB      3.80
         HN     60 ARG+ HG2     5.00
         HN     60 ARG+ HG3     3.70
         HN     61 GLU- HN      3.10
         HA     60 ARG+ HG2     3.20
         HA     60 ARG+ HG3     2.70
         HA     60 ARG+ HD2     4.70
         HA     60 ARG+ HD3     4.70
         HA     60 ARG+ QD      4.37
         HA     60 ARG+ HE      5.00
         HA     61 GLU- HN      3.60
         HA     63 PHE  HN      4.30
         HA     63 PHE  QB      4.30
         HA     63 PHE  CG      7.00
         HA     64 ASP- HN      4.90
         QB     60 ARG+ HE      5.30
         HG2    60 ARG+ HE      3.60
         HG3    60 ARG+ HE      3.70
 61 GLU- 
         HN     61 GLU- HB2     2.80
         HN     61 GLU- HB3     2.80
         HN     61 GLU- HG2     5.00
         HN     61 GLU- HG3     5.00
         HN     62 ILE  HN      3.00
         HN     64 ASP- HN      4.90
         HA     64 ASP- HN      3.60
         HA     64 ASP- HB2     3.40
         HA     64 ASP- HB3     3.40
         HA     64 ASP- QB      3.18
         HB2    62 ILE  HN      3.80
         HB3    62 ILE  HN      3.40
         HG2    62 ILE  HN      5.00
         HG3    62 ILE  HN      5.00
 62 ILE  
         HN     62 ILE  HB      2.80
         HN     62 ILE  HG12    3.30
         HN     62 ILE  HG13    3.30
         HN     62 ILE  QG1     3.08
         HN     62 ILE  QD1     5.50
         HN     63 PHE  HN      3.40
         HA     62 ILE  HG12    3.30
         HA     62 ILE  HG13    3.30
         HA     62 ILE  QD1     4.60
         HA     65 ARG+ HB2     4.90
         HA     65 ARG+ HB3     3.70
         HA     66 TYR  CG      6.00
         HA     66 TYR  CZ      7.00
         HB     63 PHE  HN      3.30
         HB     71 LEU  QQD     6.07
         QG2    63 PHE  HN      6.00
         QG2    66 TYR  HB3     6.00
         QG2    66 TYR  CG      6.70
         QG2    66 TYR  CZ      8.00
         QG2    70 GLY  QA      6.58
         QG2    71 LEU  HN      5.70
         QG2    71 LEU  HA      4.40
         QD1    63 PHE  HN      6.00
         QD1    66 TYR  CG      8.00
         QD1    66 TYR  CZ      8.00
         QD1    71 LEU  HA      6.00
 63 PHE  
         HN     63 PHE  QB      3.80
         HN     64 ASP- HN      3.70
         HN     71 LEU  QQD     7.57
         HA     66 TYR  HB2     3.80
         HA     71 LEU  QQD     7.57
         QB     64 ASP- HN      4.40
         QB     71 LEU  QD1     7.00
         QB     71 LEU  QD2     7.00
         CG     64 ASP- HN      7.00
         CG     64 ASP- HA      7.00
         CG     67 GLY  HA1     7.00
         CG     67 GLY  HA2     7.00
         CG     67 GLY  QA      6.55
         CG     68 GLU- HN      7.00
         CG     68 GLU- HA      6.70
         CG     71 LEU  HB2     7.00
         CG     71 LEU  QD1     8.00
         CG     71 LEU  QD2     8.00
         CZ     67 GLY  HA1     7.00
         CZ     67 GLY  HA2     7.00
         CZ     68 GLU- HN      7.00
         CZ     68 GLU- HA      7.00
         CZ     68 GLU- QB      7.88
         CZ     71 LEU  QQD     9.57
 64 ASP- 
         HN     64 ASP- HB2     3.40
         HN     64 ASP- HB3     3.40
         HN     65 ARG+ HN      3.40
         QB     65 ARG+ HA      5.88
 65 ARG+ 
         HN     65 ARG+ HB2     3.40
         HN     65 ARG+ HB3     3.30
         HN     65 ARG+ HG2     5.00
         HN     65 ARG+ HG3     5.00
         HN     65 ARG+ QG      4.82
         HN     66 TYR  HN      3.40
         HA     65 ARG+ HB2     2.90
         HA     65 ARG+ HB3     2.90
         HA     65 ARG+ HG2     3.90
         HA     65 ARG+ HG3     3.90
         HA     65 ARG+ QD      5.80
         HB2    66 TYR  HN      3.80
         HB2    66 TYR  CG      7.00
         HB2    66 TYR  CZ      7.00
         HB3    66 TYR  HN      4.00
         HB3    66 TYR  CG      7.00
         HB3    66 TYR  CZ      7.00
         QG     66 TYR  HN      5.88
         QG     66 TYR  HB3     5.88
         QG     66 TYR  CG      7.88
         QG     66 TYR  CZ      7.88
         QD     66 TYR  CZ      8.00
 66 TYR  
         HN     66 TYR  HB2     3.40
         HN     66 TYR  HB3     4.10
         HN     67 GLY  HN      3.00
         HA     66 TYR  HB3     2.90
         HA     66 TYR  CZ      5.60
         HB2    70 GLY  HN      4.10
         HB2    70 GLY  HA1     3.40
         HB2    70 GLY  HA2     3.40
         HB2    70 GLY  QA      3.13
         HB3    70 GLY  HN      4.60
         HB3    70 GLY  HA1     3.70
         HB3    70 GLY  HA2     3.70
         HB3    70 GLY  QA      3.25
         CG     67 GLY  HN      7.00
         CG     70 GLY  QA      7.88
 67 GLY  
         HN     68 GLU- HN      5.00
         HA1    68 GLU- HN      3.40
         HA2    68 GLU- HN      3.40
         QA     68 GLU- HN      3.13
 68 GLU- 
         HN     68 GLU- HB2     3.60
         HN     68 GLU- HB3     3.60
         HN     68 GLU- QG      5.88
         HN     69 GLU- HN      4.30
         HA     71 LEU  HN      4.20
 69 GLU- 
         HN     69 GLU- HB2     3.60
         HN     69 GLU- HB3     3.60
         HN     69 GLU- HG2     4.30
         HN     69 GLU- HG3     5.00
         HN     70 GLY  HN      3.70
 71 LEU  
         HN     71 LEU  HB2     2.80
         HN     71 LEU  HB3     2.80
         HN     71 LEU  QD1     6.00
         HN     71 LEU  QD2     6.00
         HA     71 LEU  HB2     2.60
         HA     71 LEU  QD1     5.80
         HA     71 LEU  QD2     5.80
 72 LYS+ 
         HN     72 LYS+ HB2     3.20
         HN     72 LYS+ HB3     3.20
         HN     73 GLY  HN      3.80
         HA     72 LYS+ QD      5.70
         HA     73 GLY  HN      3.40

Dihedral angle constraints:

   2 LYS+  PHI    -185.0    65.0
   2 LYS+  PSI      -5.0   225.0
   3 ASP-  PHI      45.0   285.0
   3 ASP-  PSI     -45.0   275.0
   3 ASP-  CHI1    -55.0   175.0
   4 TYR   PHI      35.0   285.0
   4 TYR   PSI    -105.0   225.0
   4 TYR   CHI1   -275.0     5.0
   5 TYR   PHI    -175.0    45.0
   5 TYR   PSI     145.0   345.0
   5 TYR   CHI1      5.0   285.0
   6 GLN   PHI    -175.0   -55.0
   6 GLN   PSI    -105.0     5.0
   6 GLN   CHI1     -5.0   245.0
   7 THR   PHI     -95.0   -55.0
   7 THR   PSI     -25.0   -15.0
   7 THR   CHI1    -65.0   -45.0
   8 LEU   PHI    -145.0   -75.0
   8 LEU   PSI    -105.0    15.0
   8 LEU   CHI1    145.0   235.0
  10 LEU   PHI    -155.0   -85.0
  10 LEU   PSI    -105.0   225.0
  11 ALA   PHI      35.0   285.0
  11 ALA   PSI      55.0   175.0
  12 ARG+  PHI      35.0   315.0
  12 ARG+  PSI      55.0   185.0
  14 ALA   PHI      35.0   325.0
  14 ALA   PSI      55.0   185.0
  15 SER   PHI      35.0   295.0
  15 SER   PSI     115.0   325.0
  15 SER   CHI1     45.0    85.0
  16 ASP-  PHI     -75.0   195.0
  16 ASP-  PSI    -105.0   105.0
  17 GLU-  PHI     -85.0    45.0
  17 GLU-  PSI    -105.0    85.0
  17 GLU-  CHI1    115.0   245.0
  18 GLU-  PHI     -95.0   -55.0
  18 GLU-  PSI     -85.0   -15.0
  18 GLU-  CHI1    135.0   235.0
  19 ILE   PHI    -155.0   -55.0
  19 ILE   PSI     -95.0    65.0
  19 ILE   CHI1   -105.0   -35.0
  20 LYS+  PHI      35.0   315.0
  20 LYS+  PSI     -85.0    85.0
  21 ARG+  PHI     -85.0   -45.0
  21 ARG+  PSI     -85.0   -25.0
  21 ARG+  CHI1    125.0   255.0
  22 ALA   PHI      35.0   315.0
  22 ALA   PSI    -105.0   225.0
  23 TYR   PHI     -85.0   -45.0
  23 TYR   PSI    -105.0    -5.0
  23 TYR   CHI1    135.0   225.0
  24 ARG+  PHI      45.0   315.0
  24 ARG+  PSI     -85.0    85.0
  25 ARG+  PHI      35.0   305.0
  25 ARG+  PSI     -95.0    95.0
  26 GLN   PHI    -155.0   -65.0
  26 GLN   PSI    -105.0    15.0
  26 GLN   CHI1    155.0   325.0
  27 ALA   PHI      35.0   315.0
  27 ALA   PSI     -95.0    95.0
  28 LEU   PHI    -155.0    45.0
  28 LEU   PSI    -245.0    15.0
  28 LEU   CHI1    125.0   245.0
  29 ARG+  PHI     -95.0   -55.0
  29 ARG+  PSI     -85.0     5.0
  29 ARG+  CHI1    125.0   245.0
  30 TYR   PHI    -155.0   -85.0
  30 TYR   PSI    -235.0    25.0
  30 TYR   CHI1    155.0   325.0
  31 HIS   PHI     -85.0   -45.0
  31 HIS   PSI    -285.0    15.0
  31 HIS   CHI1    115.0   225.0
  33 ASP-  PHI    -155.0   -85.0
  33 ASP-  PSI    -105.0    85.0
  34 LYS+  PHI    -145.0   -85.0
  34 LYS+  PSI     -95.0    -5.0
  34 LYS+  CHI1    135.0   165.0
  35 ASN   PHI    -165.0   -75.0
  35 ASN   PSI    -105.0   105.0
  35 ASN   CHI1   -205.0    35.0
  36 LYS+  PHI      55.0   275.0
  36 LYS+  PSI    -105.0   195.0
  36 LYS+  CHI1   -105.0    35.0
  37 GLU-  PHI    -165.0    45.0
  37 GLU-  PSI    -105.0   225.0
  37 GLU-  CHI1    115.0   235.0
  40 ALA   PHI      35.0   325.0
  40 ALA   PSI    -105.0   105.0
  41 GLU-  PHI     -85.0   -45.0
  41 GLU-  PSI     -45.0    15.0
  41 GLU-  CHI1    125.0   215.0
  42 GLU-  PHI     -95.0   -55.0
  42 GLU-  PSI     -45.0    35.0
  42 GLU-  CHI1    165.0   215.0
  43 LYS+  PHI     -75.0   -55.0
  43 LYS+  PSI     -85.0   -25.0
  43 LYS+  CHI1    115.0   255.0
  44 PHE   PHI     -95.0   -55.0
  44 PHE   PSI    -105.0   -45.0
  44 PHE   CHI1    145.0   185.0
  45 LYS+  PHI      45.0   305.0
  45 LYS+  PSI     -85.0    85.0
  46 GLU-  PHI    -145.0   -75.0
  46 GLU-  PSI     -75.0   -35.0
  46 GLU-  CHI1   -155.0  -125.0
  47 ILE   PHI    -105.0   -55.0
  47 ILE   PSI    -105.0   225.0
  47 ILE   CHI1    175.0   315.0
  48 ALA   PHI      45.0   305.0
  48 ALA   PSI     -85.0    75.0
  49 GLU-  PHI     -85.0   -45.0
  49 GLU-  PSI    -285.0    15.0
  49 GLU-  CHI1    105.0   245.0
  50 ALA   PHI      35.0   285.0
  50 ALA   PSI    -105.0    95.0
  51 TYR   PHI     -95.0   -55.0
  51 TYR   PSI     -75.0   225.0
  51 TYR   CHI1   -175.0  -145.0
  52 ASP-  PHI     -85.0   -45.0
  52 ASP-  PSI    -105.0   -15.0
  52 ASP-  CHI1    125.0   235.0
  53 VAL   PHI    -165.0   -65.0
  53 VAL   PSI     -95.0   -15.0
  53 VAL   CHI1     85.0   215.0
  54 LEU   PHI    -175.0    65.0
  54 LEU   PSI    -105.0    75.0
  54 LEU   CHI1   -275.0    35.0
  55 SER   PHI      35.0   295.0
  55 SER   PSI    -105.0   105.0
  55 SER   CHI1     45.0    85.0
  56 ASP-  PHI    -125.0   -85.0
  56 ASP-  PSI    -105.0   225.0
  56 ASP-  CHI1    145.0   175.0
  58 ARG+  PHI      35.0   295.0
  58 ARG+  PSI    -105.0   105.0
  59 LYS+  PHI    -125.0   -75.0
  59 LYS+  PSI     -95.0    -5.0
  59 LYS+  CHI1    165.0   215.0
  60 ARG+  PHI      35.0   325.0
  60 ARG+  PSI     -95.0    95.0
  61 GLU-  PHI     -95.0   -45.0
  61 GLU-  PSI     -95.0   -25.0
  61 GLU-  CHI1    145.0   215.0
  62 ILE   PHI    -165.0   -75.0
  62 ILE   PSI    -105.0   -15.0
  62 ILE   CHI1   -105.0   -25.0
  63 PHE   PHI      35.0   305.0
  63 PHE   PSI    -105.0   125.0
  64 ASP-  PHI     -75.0   -35.0
  64 ASP-  PSI    -105.0    -5.0
  64 ASP-  CHI1    155.0   285.0
  65 ARG+  PHI    -135.0   -65.0
  65 ARG+  PSI    -105.0   -45.0
  65 ARG+  CHI1    -25.0   155.0
  66 TYR   PHI    -155.0   -85.0
  66 TYR   PSI     -95.0    65.0
  66 TYR   CHI1   -205.0    35.0
  68 GLU-  PHI      35.0   305.0
  68 GLU-  PSI    -105.0   225.0
  69 GLU-  PHI      35.0   315.0
  69 GLU-  PSI    -105.0   125.0
  69 GLU-  CHI1    -25.0   275.0
  71 LEU   PHI    -115.0   -65.0
  71 LEU   PSI    -105.0   225.0
  71 LEU   CHI1    155.0   215.0
  72 LYS+  PHI    -145.0   -75.0
  72 LYS+  PSI     -25.0   105.0
  72 LYS+  CHI1    125.0   255.0
  74 SER   PHI      35.0   295.0
  74 SER   PSI    -105.0   225.0
  76 CYS   PHI      35.0   285.0
  76 CYS   PSI    -105.0   225.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   0           H        MET   0  12.999  -3.260  10.040
    2    HA   MET   0           HA       MET   0  14.069  -1.394   8.615
    3   1HB   MET   0          1HB       MET   0  15.362  -2.765  10.181
    4   2HB   MET   0          2HB       MET   0  15.506  -4.056   8.985
    5   1HG   MET   0          1HG       MET   0  16.535  -1.255   8.421
    6   2HG   MET   0          2HG       MET   0  17.457  -2.381   9.402
    7   1HE   MET   0          1HE       MET   0  19.568  -2.470   8.097
    8   2HE   MET   0          2HE       MET   0  19.676  -2.655   6.335
    9   3HE   MET   0          3HE       MET   0  18.946  -1.190   7.027
   10    QB   MET   0           QB       MET   0  15.434  -3.410   9.583
   11    QG   MET   0           QG       MET   0  16.996  -1.818   8.911
   12    QE   MET   0           QE       MET   0  19.397  -2.105   7.153
   13    H    GLY   1           H        GLY   1  14.865  -0.805   6.530
   14   1HA   GLY   1          1HA       GLY   1  14.699  -0.859   4.233
   15   2HA   GLY   1          2HA       GLY   1  14.731  -2.626   4.322
   16    QA   GLY   1           QA       GLY   1  14.715  -1.742   4.277
   17    H    LYS   2           H        LYS   2  12.414  -0.520   5.927
   18    HA   LYS   2           HA       LYS   2  10.223  -2.124   5.626
   19   1HB   LYS   2          1HB       LYS   2   8.920  -0.195   6.405
   20   2HB   LYS   2          2HB       LYS   2  10.437  -0.355   7.277
   21   1HG   LYS   2          1HG       LYS   2  11.115   1.347   5.163
   22   2HG   LYS   2          2HG       LYS   2   9.465   1.799   5.468
   23   1HD   LYS   2          1HD       LYS   2  11.409   1.634   7.773
   24   2HD   LYS   2          2HD       LYS   2  11.550   2.963   6.631
   25   1HE   LYS   2          1HE       LYS   2   8.937   2.304   8.008
   26   2HE   LYS   2          2HE       LYS   2  10.135   3.428   8.676
   27   1HZ   LYS   2          2HZ       LYS   2   9.926   4.621   6.455
   28   2HZ   LYS   2          3HZ       LYS   2   8.540   3.756   6.235
   29   3HZ   LYS   2          1HZ       LYS   2   8.685   4.743   7.508
   30    QB   LYS   2           QB       LYS   2   9.679  -0.275   6.841
   31    QG   LYS   2           QG       LYS   2  10.290   1.573   5.316
   32    QD   LYS   2           QD       LYS   2  11.480   2.298   7.202
   33    QE   LYS   2           QE       LYS   2   9.536   2.866   8.342
   34    QZ   LYS   2           QZ       LYS   2   9.050   4.373   6.733
   35    H    ASP   3           H        ASP   3   9.272  -2.889   3.766
   36    HA   ASP   3           HA       ASP   3   9.245  -1.193   1.358
   37   1HB   ASP   3          1HB       ASP   3   7.909  -3.883   1.774
   38   2HB   ASP   3          2HB       ASP   3   8.065  -3.012   0.258
   39    QB   ASP   3           QB       ASP   3   7.987  -3.448   1.016
   40    H    TYR   4           H        TYR   4   7.372  -0.374   0.405
   41    HA   TYR   4           HA       TYR   4   4.819  -0.410   1.981
   42   1HB   TYR   4          1HB       TYR   4   5.838   1.769   0.103
   43   2HB   TYR   4          2HB       TYR   4   4.213   1.647   0.723
   44    HD1  TYR   4          2HD       TYR   4   7.758   1.690   2.134
   45    HD2  TYR   4          1HD       TYR   4   3.666   3.065   2.506
   46    HE1  TYR   4          2HE       TYR   4   8.359   2.978   4.098
   47    HE2  TYR   4          1HE       TYR   4   4.254   4.284   4.521
   48    HH   TYR   4           HH       TYR   4   5.945   4.188   6.354
   49    QB   TYR   4           QB       TYR   4   5.025   1.708   0.413
   50    QG   TYR   4           QD       TYR   4   5.712   2.377   2.320
   51    QZ   TYR   4           QE       TYR   4   6.306   3.631   4.309
   52    QR   TYR   4           QR       TYR   4   6.009   3.004   3.315
   53    H    TYR   5           H        TYR   5   6.037   0.207  -1.329
   54    HA   TYR   5           HA       TYR   5   3.891  -0.746  -2.868
   55   1HB   TYR   5          1HB       TYR   5   6.806  -0.276  -3.288
   56   2HB   TYR   5          2HB       TYR   5   5.968  -1.296  -4.427
   57    HD1  TYR   5          1HD       TYR   5   5.635   2.093  -2.802
   58    HD2  TYR   5          2HD       TYR   5   4.699  -0.440  -6.164
   59    HE1  TYR   5          1HE       TYR   5   4.865   4.067  -4.088
   60    HE2  TYR   5          2HE       TYR   5   3.990   1.509  -7.460
   61    HH   TYR   5           HH       TYR   5   3.991   3.819  -7.560
   62    QB   TYR   5           QB       TYR   5   6.387  -0.786  -3.858
   63    QG   TYR   5           QD       TYR   5   5.167   0.827  -4.483
   64    QZ   TYR   5           QE       TYR   5   4.428   2.788  -5.774
   65    QR   TYR   5           QR       TYR   5   4.797   1.807  -5.128
   66    H    GLN   6           H        GLN   6   6.877  -2.614  -1.880
   67    HA   GLN   6           HA       GLN   6   5.756  -5.025  -2.953
   68   1HB   GLN   6          1HB       GLN   6   8.230  -4.392  -2.531
   69   2HB   GLN   6          2HB       GLN   6   7.959  -5.005  -0.899
   70   1HG   GLN   6          1HG       GLN   6   7.043  -7.148  -2.140
   71   2HG   GLN   6          2HG       GLN   6   7.905  -6.495  -3.538
   72   1HE2  GLN   6          2HE2      GLN   6   9.922  -8.220  -0.418
   73   2HE2  GLN   6          1HE2      GLN   6   8.195  -8.338  -0.685
   74    QB   GLN   6           QB       GLN   6   8.095  -4.699  -1.715
   75    QG   GLN   6           QG       GLN   6   7.474  -6.821  -2.839
   76    QE2  GLN   6           QE2      GLN   6   9.058  -8.279  -0.551
   77    H    THR   7           H        THR   7   5.623  -3.642   0.370
   78    HA   THR   7           HA       THR   7   4.702  -6.051   1.602
   79    HB   THR   7           HB       THR   7   4.185  -3.120   2.297
   80    HG1  THR   7          1HG       THR   7   6.046  -3.242   3.259
   81   1HG2  THR   7          3HG2      THR   7   3.766  -5.609   4.009
   82   2HG2  THR   7          1HG2      THR   7   3.824  -3.949   4.643
   83   3HG2  THR   7          2HG2      THR   7   2.532  -4.423   3.533
   84    QG2  THR   7           QG2      THR   7   3.374  -4.660   4.062
   85    H    LEU   8           H        LEU   8   3.114  -3.727  -0.432
   86    HA   LEU   8           HA       LEU   8   0.563  -5.205  -0.112
   87   1HB   LEU   8          1HB       LEU   8   0.835  -2.637  -0.028
   88   2HB   LEU   8          2HB       LEU   8   0.920  -2.713  -1.783
   89    HG   LEU   8           HG       LEU   8  -1.316  -4.259  -0.517
   90   1HD1  LEU   8          2HD1      LEU   8  -1.264  -2.294   0.975
   91   2HD1  LEU   8          3HD1      LEU   8  -1.436  -1.233  -0.434
   92   3HD1  LEU   8          1HD1      LEU   8  -2.730  -2.374  -0.018
   93   1HD2  LEU   8          1HD2      LEU   8  -1.016  -3.816  -3.006
   94   2HD2  LEU   8          2HD2      LEU   8  -2.593  -3.457  -2.330
   95   3HD2  LEU   8          3HD2      LEU   8  -1.466  -2.134  -2.691
   96    QB   LEU   8           QB       LEU   8   0.877  -2.675  -0.905
   97    QD1  LEU   8           QD1      LEU   8  -1.810  -1.967   0.174
   98    QD2  LEU   8           QD2      LEU   8  -1.692  -3.136  -2.676
   99    QQD  LEU   8           QQD      LEU   8  -1.751  -2.551  -1.251
  100    H    GLY   9           H        GLY   9   3.323  -5.360  -1.948
  101   1HA   GLY   9          1HA       GLY   9   3.864  -7.120  -3.297
  102   2HA   GLY   9          2HA       GLY   9   2.170  -7.402  -3.667
  103    QA   GLY   9           QA       GLY   9   3.017  -7.261  -3.482
  104    H    LEU  10           H        LEU  10   4.105  -4.369  -4.179
  105    HA   LEU  10           HA       LEU  10   3.766  -4.651  -7.129
  106   1HB   LEU  10          1HB       LEU  10   3.113  -2.226  -5.408
  107   2HB   LEU  10          2HB       LEU  10   3.056  -2.264  -7.158
  108    HG   LEU  10           HG       LEU  10   1.365  -4.403  -6.085
  109   1HD1  LEU  10          2HD1      LEU  10   0.778  -1.604  -5.092
  110   2HD1  LEU  10          3HD1      LEU  10  -0.340  -2.977  -5.046
  111   3HD1  LEU  10          1HD1      LEU  10   1.165  -3.033  -4.110
  112   1HD2  LEU  10          3HD2      LEU  10   1.202  -3.496  -8.350
  113   2HD2  LEU  10          1HD2      LEU  10  -0.334  -3.435  -7.471
  114   3HD2  LEU  10          2HD2      LEU  10   0.627  -1.956  -7.681
  115    QB   LEU  10           QB       LEU  10   3.084  -2.245  -6.283
  116    QD1  LEU  10           QD1      LEU  10   0.534  -2.538  -4.749
  117    QD2  LEU  10           QD2      LEU  10   0.498  -2.962  -7.834
  118    QQD  LEU  10           QQD      LEU  10   0.516  -2.750  -6.292
  119    H    ALA  11           H        ALA  11   5.008  -2.757  -8.204
  120    HA   ALA  11           HA       ALA  11   7.406  -1.788  -6.717
  121   1HB   ALA  11          1HB       ALA  11   8.073  -3.631  -8.275
  122   2HB   ALA  11          2HB       ALA  11   7.278  -2.753  -9.611
  123   3HB   ALA  11          3HB       ALA  11   8.689  -2.046  -8.802
  124    QB   ALA  11           QB       ALA  11   8.013  -2.810  -8.896
  125    H    ARG  12           H        ARG  12   8.334   0.174  -7.773
  126    HA   ARG  12           HA       ARG  12   6.177   2.065  -8.393
  127   1HB   ARG  12          1HB       ARG  12   9.181   2.486  -8.552
  128   2HB   ARG  12          2HB       ARG  12   7.918   3.685  -8.748
  129   1HG   ARG  12          1HG       ARG  12   8.501   4.146  -6.619
  130   2HG   ARG  12          2HG       ARG  12   7.185   3.028  -6.323
  131   1HD   ARG  12          1HD       ARG  12   9.124   2.594  -4.842
  132   2HD   ARG  12          2HD       ARG  12   8.793   1.222  -5.881
  133    HE   ARG  12           HE       ARG  12  10.817   1.410  -6.819
  134   1HH1  ARG  12          2HH2      ARG  12  10.245   4.752  -5.526
  135   2HH1  ARG  12          1HH2      ARG  12  11.847   5.216  -5.978
  136   1HH2  ARG  12          2HH1      ARG  12  12.994   2.082  -6.990
  137   2HH2  ARG  12          1HH1      ARG  12  13.407   3.719  -6.636
  138    QB   ARG  12           QB       ARG  12   8.549   3.085  -8.650
  139    QG   ARG  12           QG       ARG  12   7.843   3.587  -6.471
  140    QD   ARG  12           QD       ARG  12   8.959   1.908  -5.362
  141    QH1  ARG  12           QH2      ARG  12  11.046   4.984  -5.752
  142    QH2  ARG  12           QH1      ARG  12  13.201   2.901  -6.813
  143    H    GLY  13           H        GLY  13   5.290   1.972 -10.278
  144   1HA   GLY  13          1HA       GLY  13   5.903   2.260 -12.837
  145   2HA   GLY  13          2HA       GLY  13   6.638   0.680 -12.569
  146    QA   GLY  13           QA       GLY  13   6.270   1.470 -12.703
  147    H    ALA  14           H        ALA  14   4.548   0.038 -10.454
  148    HA   ALA  14           HA       ALA  14   2.311  -0.958 -11.932
  149   1HB   ALA  14          2HB       ALA  14   3.028  -1.726  -9.663
  150   2HB   ALA  14          3HB       ALA  14   2.621  -0.134  -8.998
  151   3HB   ALA  14          1HB       ALA  14   1.352  -1.172  -9.667
  152    QB   ALA  14           QB       ALA  14   2.334  -1.011  -9.443
  153    H    SER  15           H        SER  15   0.396   0.106 -12.506
  154    HA   SER  15           HA       SER  15   0.318   3.055 -12.047
  155   1HB   SER  15          1HB       SER  15  -1.372   3.109 -13.733
  156   2HB   SER  15          2HB       SER  15  -0.148   1.984 -14.336
  157    HG   SER  15           HG       SER  15  -2.125   1.103 -14.640
  158    QB   SER  15           QB       SER  15  -0.760   2.546 -14.034
  159    H    ASP  16           H        ASP  16  -1.868   3.970 -11.572
  160    HA   ASP  16           HA       ASP  16  -2.578   3.245  -9.026
  161   1HB   ASP  16          1HB       ASP  16  -4.124   4.698 -11.192
  162   2HB   ASP  16          2HB       ASP  16  -4.850   4.431  -9.604
  163    QB   ASP  16           QB       ASP  16  -4.487   4.565 -10.398
  164    H    GLU  17           H        GLU  17  -3.576   1.870 -12.068
  165    HA   GLU  17           HA       GLU  17  -6.065   0.663 -11.099
  166   1HB   GLU  17          1HB       GLU  17  -5.760   1.854 -13.258
  167   2HB   GLU  17          2HB       GLU  17  -4.610   0.603 -13.777
  168   1HG   GLU  17          1HG       GLU  17  -6.349  -1.055 -13.836
  169   2HG   GLU  17          2HG       GLU  17  -7.479   0.012 -12.988
  170    QB   GLU  17           QB       GLU  17  -5.185   1.228 -13.518
  171    QG   GLU  17           QG       GLU  17  -6.914  -0.522 -13.412
  172    H    GLU  18           H        GLU  18  -2.777  -0.098 -11.061
  173    HA   GLU  18           HA       GLU  18  -3.153  -3.022 -10.889
  174   1HB   GLU  18          1HB       GLU  18  -1.189  -1.678 -12.067
  175   2HB   GLU  18          2HB       GLU  18  -0.607  -1.418 -10.440
  176   1HG   GLU  18          1HG       GLU  18  -0.674  -3.850 -10.006
  177   2HG   GLU  18          2HG       GLU  18  -1.234  -4.108 -11.677
  178    QB   GLU  18           QB       GLU  18  -0.898  -1.548 -11.253
  179    QG   GLU  18           QG       GLU  18  -0.954  -3.979 -10.842
  180    H    ILE  19           H        ILE  19  -2.004  -0.147  -9.184
  181    HA   ILE  19           HA       ILE  19  -1.479  -1.193  -6.651
  182    HB   ILE  19           HB       ILE  19  -1.985   1.535  -7.839
  183   1HG1  ILE  19          1HG1      ILE  19   0.379   0.080  -6.576
  184   2HG1  ILE  19          2HG1      ILE  19   0.099   0.332  -8.291
  185   1HG2  ILE  19          2HG2      ILE  19  -1.539   1.050  -4.900
  186   2HG2  ILE  19          3HG2      ILE  19  -1.366   2.631  -5.709
  187   3HG2  ILE  19          1HG2      ILE  19  -2.929   1.848  -5.646
  188   1HD1  ILE  19          1HD1      ILE  19   0.352   2.809  -7.895
  189   2HD1  ILE  19          2HD1      ILE  19   0.879   2.403  -6.240
  190   3HD1  ILE  19          3HD1      ILE  19   1.796   1.812  -7.615
  191    QG1  ILE  19           QG1      ILE  19   0.239   0.206  -7.434
  192    QG2  ILE  19           QG2      ILE  19  -1.945   1.843  -5.418
  193    QD1  ILE  19           QD1      ILE  19   1.009   2.341  -7.250
  194    H    LYS  20           H        LYS  20  -4.433   0.620  -7.662
  195    HA   LYS  20           HA       LYS  20  -5.826   0.093  -5.212
  196   1HB   LYS  20          1HB       LYS  20  -6.855   0.807  -7.975
  197   2HB   LYS  20          2HB       LYS  20  -7.861   0.763  -6.527
  198   1HG   LYS  20          1HG       LYS  20  -6.718   2.586  -5.494
  199   2HG   LYS  20          2HG       LYS  20  -5.365   2.511  -6.639
  200   1HD   LYS  20          1HD       LYS  20  -6.848   3.114  -8.497
  201   2HD   LYS  20          2HD       LYS  20  -8.227   3.217  -7.396
  202   1HE   LYS  20          1HE       LYS  20  -5.721   4.877  -6.920
  203   2HE   LYS  20          2HE       LYS  20  -6.900   5.364  -8.137
  204   1HZ   LYS  20          3HZ       LYS  20  -8.604   5.374  -6.439
  205   2HZ   LYS  20          1HZ       LYS  20  -7.516   5.043  -5.251
  206   3HZ   LYS  20          2HZ       LYS  20  -7.420   6.437  -6.110
  207    QB   LYS  20           QB       LYS  20  -7.358   0.785  -7.251
  208    QG   LYS  20           QG       LYS  20  -6.041   2.549  -6.067
  209    QD   LYS  20           QD       LYS  20  -7.537   3.165  -7.946
  210    QE   LYS  20           QE       LYS  20  -6.310   5.120  -7.528
  211    QZ   LYS  20           QZ       LYS  20  -7.847   5.618  -5.934
  212    H    ARG  21           H        ARG  21  -5.442  -1.803  -8.167
  213    HA   ARG  21           HA       ARG  21  -7.603  -3.633  -7.808
  214   1HB   ARG  21          1HB       ARG  21  -5.511  -3.329  -9.645
  215   2HB   ARG  21          2HB       ARG  21  -5.043  -4.779  -8.814
  216   1HG   ARG  21          1HG       ARG  21  -6.233  -5.511 -10.645
  217   2HG   ARG  21          2HG       ARG  21  -7.377  -5.711  -9.316
  218   1HD   ARG  21          1HD       ARG  21  -8.746  -3.958 -10.072
  219   2HD   ARG  21          2HD       ARG  21  -7.434  -3.117 -10.887
  220    HE   ARG  21           HE       ARG  21  -9.059  -5.322 -11.926
  221   1HH1  ARG  21          2HH2      ARG  21  -6.186  -3.219 -12.478
  222   2HH1  ARG  21          1HH2      ARG  21  -5.945  -3.815 -14.084
  223   1HH2  ARG  21          2HH1      ARG  21  -8.587  -6.150 -14.042
  224   2HH2  ARG  21          1HH1      ARG  21  -7.305  -5.487 -14.969
  225    QB   ARG  21           QB       ARG  21  -5.277  -4.054  -9.230
  226    QG   ARG  21           QG       ARG  21  -6.805  -5.611  -9.980
  227    QD   ARG  21           QD       ARG  21  -8.090  -3.538 -10.480
  228    QH1  ARG  21           QH2      ARG  21  -6.065  -3.517 -13.281
  229    QH2  ARG  21           QH1      ARG  21  -7.946  -5.818 -14.506
  230    H    ALA  22           H        ALA  22  -4.151  -3.791  -6.838
  231    HA   ALA  22           HA       ALA  22  -4.378  -6.068  -5.141
  232   1HB   ALA  22          2HB       ALA  22  -2.256  -5.239  -6.077
  233   2HB   ALA  22          3HB       ALA  22  -2.399  -3.774  -5.086
  234   3HB   ALA  22          1HB       ALA  22  -2.203  -5.362  -4.307
  235    QB   ALA  22           QB       ALA  22  -2.286  -4.792  -5.157
  236    H    TYR  23           H        TYR  23  -4.645  -2.458  -4.270
  237    HA   TYR  23           HA       TYR  23  -4.567  -2.910  -1.552
  238   1HB   TYR  23          1HB       TYR  23  -4.105  -0.815  -1.957
  239   2HB   TYR  23          2HB       TYR  23  -4.805  -0.815  -3.530
  240    HD1  TYR  23          1HD       TYR  23  -7.504  -0.724  -3.595
  241    HD2  TYR  23          2HD       TYR  23  -4.837   0.926  -0.618
  242    HE1  TYR  23          1HE       TYR  23  -9.112   1.066  -3.189
  243    HE2  TYR  23          2HE       TYR  23  -6.467   2.731  -0.207
  244    HH   TYR  23           HH       TYR  23  -9.592   2.982  -1.886
  245    QB   TYR  23           QB       TYR  23  -4.455  -0.815  -2.743
  246    QG   TYR  23           QD       TYR  23  -6.170   0.101  -2.106
  247    QZ   TYR  23           QE       TYR  23  -7.790   1.899  -1.698
  248    QR   TYR  23           QR       TYR  23  -6.980   1.000  -1.902
  249    H    ARG  24           H        ARG  24  -7.408  -2.825  -3.747
  250    HA   ARG  24           HA       ARG  24  -9.303  -2.986  -1.632
  251   1HB   ARG  24          1HB       ARG  24  -9.681  -2.347  -4.051
  252   2HB   ARG  24          2HB       ARG  24  -9.569  -4.059  -4.476
  253   1HG   ARG  24          1HG       ARG  24 -11.536  -4.536  -3.023
  254   2HG   ARG  24          2HG       ARG  24 -11.585  -2.824  -2.547
  255   1HD   ARG  24          1HD       ARG  24 -11.906  -2.203  -4.962
  256   2HD   ARG  24          2HD       ARG  24 -11.984  -3.926  -5.368
  257    HE   ARG  24           HE       ARG  24 -13.871  -2.363  -3.668
  258   1HH1  ARG  24          2HH2      ARG  24 -13.435  -5.190  -5.860
  259   2HH1  ARG  24          1HH2      ARG  24 -15.014  -5.801  -5.468
  260   1HH2  ARG  24          2HH1      ARG  24 -15.856  -3.321  -3.151
  261   2HH2  ARG  24          1HH1      ARG  24 -16.394  -4.750  -4.047
  262    QB   ARG  24           QB       ARG  24  -9.625  -3.203  -4.264
  263    QG   ARG  24           QG       ARG  24 -11.560  -3.680  -2.785
  264    QD   ARG  24           QD       ARG  24 -11.945  -3.065  -5.165
  265    QH1  ARG  24           QH2      ARG  24 -14.224  -5.496  -5.664
  266    QH2  ARG  24           QH1      ARG  24 -16.125  -4.036  -3.599
  267    H    ARG  25           H        ARG  25  -7.636  -5.559  -3.462
  268    HA   ARG  25           HA       ARG  25  -8.986  -7.787  -2.219
  269   1HB   ARG  25          1HB       ARG  25  -6.183  -7.582  -3.419
  270   2HB   ARG  25          2HB       ARG  25  -6.972  -9.082  -2.993
  271   1HG   ARG  25          1HG       ARG  25  -8.135  -7.145  -5.043
  272   2HG   ARG  25          2HG       ARG  25  -6.926  -8.340  -5.459
  273   1HD   ARG  25          1HD       ARG  25  -9.685  -8.923  -4.309
  274   2HD   ARG  25          2HD       ARG  25  -9.211  -9.108  -5.997
  275    HE   ARG  25           HE       ARG  25  -8.803 -10.955  -3.847
  276   1HH1  ARG  25          2HH2      ARG  25  -7.354  -9.938  -6.926
  277   2HH1  ARG  25          1HH2      ARG  25  -6.490 -11.419  -7.150
  278   1HH2  ARG  25          2HH1      ARG  25  -7.569 -12.888  -4.109
  279   2HH2  ARG  25          1HH1      ARG  25  -6.438 -13.014  -5.406
  280    QB   ARG  25           QB       ARG  25  -6.577  -8.332  -3.206
  281    QG   ARG  25           QG       ARG  25  -7.531  -7.742  -5.251
  282    QD   ARG  25           QD       ARG  25  -9.448  -9.015  -5.153
  283    QH1  ARG  25           QH2      ARG  25  -6.922 -10.679  -7.038
  284    QH2  ARG  25           QH1      ARG  25  -7.004 -12.951  -4.758
  285    H    GLN  26           H        GLN  26  -5.930  -6.066  -1.540
  286    HA   GLN  26           HA       GLN  26  -4.992  -7.743   0.515
  287   1HB   GLN  26          1HB       GLN  26  -4.398  -4.950  -0.499
  288   2HB   GLN  26          2HB       GLN  26  -3.543  -5.567   0.904
  289   1HG   GLN  26          1HG       GLN  26  -3.672  -7.234  -1.637
  290   2HG   GLN  26          2HG       GLN  26  -2.555  -5.884  -1.523
  291   1HE2  GLN  26          2HE2      GLN  26  -0.195  -8.068  -0.079
  292   2HE2  GLN  26          1HE2      GLN  26  -0.582  -7.019  -1.440
  293    QB   GLN  26           QB       GLN  26  -3.970  -5.258   0.202
  294    QG   GLN  26           QG       GLN  26  -3.114  -6.559  -1.580
  295    QE2  GLN  26           QE2      GLN  26  -0.388  -7.543  -0.759
  296    H    ALA  27           H        ALA  27  -6.972  -4.719   0.708
  297    HA   ALA  27           HA       ALA  27  -7.067  -4.612   3.556
  298   1HB   ALA  27          1HB       ALA  27  -9.093  -3.808   1.412
  299   2HB   ALA  27          2HB       ALA  27  -9.333  -3.512   3.151
  300   3HB   ALA  27          3HB       ALA  27  -7.971  -2.781   2.335
  301    QB   ALA  27           QB       ALA  27  -8.799  -3.367   2.299
  302    H    LEU  28           H        LEU  28  -9.240  -6.346   1.187
  303    HA   LEU  28           HA       LEU  28 -10.900  -7.426   3.210
  304   1HB   LEU  28          1HB       LEU  28 -10.637  -7.447   0.285
  305   2HB   LEU  28          2HB       LEU  28 -10.874  -9.058   0.867
  306    HG   LEU  28           HG       LEU  28 -12.840  -8.054   2.308
  307   1HD1  LEU  28          1HD1      LEU  28 -12.362  -5.846   0.243
  308   2HD1  LEU  28          2HD1      LEU  28 -13.825  -6.004   1.216
  309   3HD1  LEU  28          3HD1      LEU  28 -12.265  -5.679   2.005
  310   1HD2  LEU  28          1HD2      LEU  28 -13.195  -9.528   0.355
  311   2HD2  LEU  28          2HD2      LEU  28 -14.428  -8.266   0.478
  312   3HD2  LEU  28          3HD2      LEU  28 -13.126  -8.105  -0.711
  313    QB   LEU  28           QB       LEU  28 -10.756  -8.253   0.576
  314    QD1  LEU  28           QD1      LEU  28 -12.817  -5.843   1.155
  315    QD2  LEU  28           QD2      LEU  28 -13.583  -8.633   0.041
  316    QQD  LEU  28           QQD      LEU  28 -13.200  -7.238   0.598
  317    H    ARG  29           H        ARG  29  -7.660  -8.348   2.316
  318    HA   ARG  29           HA       ARG  29  -7.854 -11.124   2.890
  319   1HB   ARG  29          1HB       ARG  29  -6.133  -9.635   1.530
  320   2HB   ARG  29          2HB       ARG  29  -5.407  -9.345   3.095
  321   1HG   ARG  29          1HG       ARG  29  -4.213 -11.218   2.687
  322   2HG   ARG  29          2HG       ARG  29  -5.687 -12.058   3.149
  323   1HD   ARG  29          1HD       ARG  29  -4.923 -13.008   1.090
  324   2HD   ARG  29          2HD       ARG  29  -6.380 -12.082   0.736
  325    HE   ARG  29           HE       ARG  29  -5.173 -10.800  -0.710
  326   1HH1  ARG  29          2HH2      ARG  29  -2.761 -12.240   1.521
  327   2HH1  ARG  29          1HH2      ARG  29  -1.436 -11.534   0.629
  328   1HH2  ARG  29          2HH1      ARG  29  -3.316 -10.141  -1.948
  329   2HH2  ARG  29          1HH1      ARG  29  -1.736 -10.417  -1.246
  330    QB   ARG  29           QB       ARG  29  -5.770  -9.490   2.313
  331    QG   ARG  29           QG       ARG  29  -4.950 -11.638   2.918
  332    QD   ARG  29           QD       ARG  29  -5.652 -12.545   0.913
  333    QH1  ARG  29           QH2      ARG  29  -2.098 -11.887   1.075
  334    QH2  ARG  29           QH1      ARG  29  -2.526 -10.279  -1.597
  335    H    TYR  30           H        TYR  30  -7.669  -8.250   4.933
  336    HA   TYR  30           HA       TYR  30  -7.264  -9.944   7.338
  337   1HB   TYR  30          1HB       TYR  30  -5.589  -7.488   6.529
  338   2HB   TYR  30          2HB       TYR  30  -5.414  -8.377   8.028
  339    HD1  TYR  30          2HD       TYR  30  -4.924 -10.957   7.806
  340    HD2  TYR  30          1HD       TYR  30  -4.152  -8.054   4.733
  341    HE1  TYR  30          2HE       TYR  30  -3.359 -12.491   6.767
  342    HE2  TYR  30          1HE       TYR  30  -2.474  -9.563   3.707
  343    HH   TYR  30           HH       TYR  30  -1.973 -12.877   5.077
  344    QB   TYR  30           QB       TYR  30  -5.502  -7.933   7.278
  345    QG   TYR  30           QD       TYR  30  -4.538  -9.506   6.270
  346    QZ   TYR  30           QE       TYR  30  -2.916 -11.027   5.237
  347    QR   TYR  30           QR       TYR  30  -3.727 -10.266   5.753
  348    H    HIS  31           H        HIS  31  -9.220  -7.708   6.062
  349    HA   HIS  31           HA       HIS  31  -9.231  -5.406   7.563
  350   1HB   HIS  31          1HB       HIS  31 -10.846  -6.643   5.611
  351   2HB   HIS  31          2HB       HIS  31 -11.930  -6.469   6.963
  352    HD1  HIS  31          1HD       HIS  31 -11.644  -3.512   7.979
  353    HD2  HIS  31          2HD       HIS  31 -11.221  -4.823   3.972
  354    HE1  HIS  31          1HE       HIS  31 -12.092  -1.534   6.509
  355    QB   HIS  31           QB       HIS  31 -11.388  -6.556   6.287
  356    HA   PRO  32           HA       PRO  32 -10.699  -7.114  11.575
  357   1HB   PRO  32          1HB       PRO  32 -10.777  -4.817  13.040
  358   2HB   PRO  32          2HB       PRO  32  -9.241  -5.602  12.570
  359   1HG   PRO  32          1HG       PRO  32 -10.628  -3.288  11.220
  360   2HG   PRO  32          2HG       PRO  32  -8.902  -3.431  11.672
  361   1HD   PRO  32          1HD       PRO  32  -9.856  -3.973   9.150
  362   2HD   PRO  32          2HD       PRO  32  -8.449  -4.841   9.854
  363    QB   PRO  32           QB       PRO  32 -10.009  -5.209  12.805
  364    QG   PRO  32           QG       PRO  32  -9.765  -3.360  11.446
  365    QD   PRO  32           QD       PRO  32  -9.152  -4.407   9.502
  366    H    ASP  33           H        ASP  33 -12.359  -6.161   9.197
  367    HA   ASP  33           HA       ASP  33 -14.923  -5.966  10.600
  368   1HB   ASP  33          1HB       ASP  33 -14.185  -3.730   9.654
  369   2HB   ASP  33          2HB       ASP  33 -14.314  -4.448   8.043
  370    QB   ASP  33           QB       ASP  33 -14.249  -4.089   8.849
  371    H    LYS  34           H        LYS  34 -13.005  -7.937   8.884
  372    HA   LYS  34           HA       LYS  34 -15.290  -9.291   7.547
  373   1HB   LYS  34          1HB       LYS  34 -14.264  -8.004   5.745
  374   2HB   LYS  34          2HB       LYS  34 -12.656  -8.449   6.289
  375   1HG   LYS  34          1HG       LYS  34 -13.007  -9.730   4.353
  376   2HG   LYS  34          2HG       LYS  34 -13.097 -10.841   5.712
  377   1HD   LYS  34          1HD       LYS  34 -14.907 -11.437   4.278
  378   2HD   LYS  34          2HD       LYS  34 -15.651 -10.564   5.621
  379   1HE   LYS  34          1HE       LYS  34 -15.072  -8.496   3.868
  380   2HE   LYS  34          2HE       LYS  34 -15.345  -9.822   2.733
  381   1HZ   LYS  34          2HZ       LYS  34 -17.516 -10.144   3.882
  382   2HZ   LYS  34          3HZ       LYS  34 -17.217  -8.773   4.763
  383   3HZ   LYS  34          1HZ       LYS  34 -17.334  -8.663   3.131
  384    QB   LYS  34           QB       LYS  34 -13.460  -8.227   6.017
  385    QG   LYS  34           QG       LYS  34 -13.052 -10.285   5.032
  386    QD   LYS  34           QD       LYS  34 -15.279 -11.001   4.949
  387    QE   LYS  34           QE       LYS  34 -15.208  -9.159   3.301
  388    QZ   LYS  34           QZ       LYS  34 -17.356  -9.193   3.925
  389    H    ASN  35           H        ASN  35 -11.726  -9.487   8.333
  390    HA   ASN  35           HA       ASN  35 -12.024 -12.252   9.226
  391   1HB   ASN  35          1HB       ASN  35  -9.319 -11.706   8.499
  392   2HB   ASN  35          2HB       ASN  35 -10.438 -12.789   7.781
  393   1HD2  ASN  35          2HD2      ASN  35  -9.664 -11.088   4.834
  394   2HD2  ASN  35          1HD2      ASN  35  -9.593 -12.666   5.599
  395    QB   ASN  35           QB       ASN  35  -9.878 -12.248   8.140
  396    QD2  ASN  35           QD2      ASN  35  -9.629 -11.877   5.216
  397    H    LYS  36           H        LYS  36 -12.449 -11.518  11.375
  398    HA   LYS  36           HA       LYS  36 -10.494  -9.650  12.530
  399   1HB   LYS  36          1HB       LYS  36 -12.876 -10.930  13.799
  400   2HB   LYS  36          2HB       LYS  36 -11.785  -9.789  14.587
  401   1HG   LYS  36          1HG       LYS  36 -12.322  -8.106  12.836
  402   2HG   LYS  36          2HG       LYS  36 -13.564  -9.181  12.182
  403   1HD   LYS  36          1HD       LYS  36 -13.490  -8.075  15.026
  404   2HD   LYS  36          2HD       LYS  36 -14.447  -7.404  13.699
  405   1HE   LYS  36          1HE       LYS  36 -15.691  -9.540  13.497
  406   2HE   LYS  36          2HE       LYS  36 -14.722 -10.230  14.812
  407   1HZ   LYS  36          2HZ       LYS  36 -15.606  -8.542  16.277
  408   2HZ   LYS  36          3HZ       LYS  36 -16.527  -7.905  15.068
  409   3HZ   LYS  36          1HZ       LYS  36 -16.824  -9.423  15.634
  410    QB   LYS  36           QB       LYS  36 -12.331 -10.359  14.193
  411    QG   LYS  36           QG       LYS  36 -12.943  -8.643  12.509
  412    QD   LYS  36           QD       LYS  36 -13.969  -7.739  14.362
  413    QE   LYS  36           QE       LYS  36 -15.207  -9.885  14.155
  414    QZ   LYS  36           QZ       LYS  36 -16.319  -8.623  15.659
  415    H    GLU  37           H        GLU  37  -9.429 -11.951  11.438
  416    HA   GLU  37           HA       GLU  37  -9.216 -14.254  13.040
  417   1HB   GLU  37          1HB       GLU  37  -8.945 -14.293  10.673
  418   2HB   GLU  37          2HB       GLU  37  -7.782 -12.981  10.692
  419   1HG   GLU  37          1HG       GLU  37  -6.102 -14.457  11.762
  420   2HG   GLU  37          2HG       GLU  37  -7.298 -15.759  11.760
  421    QB   GLU  37           QB       GLU  37  -8.364 -13.637  10.683
  422    QG   GLU  37           QG       GLU  37  -6.700 -15.108  11.761
  423    HA   PRO  38           HA       PRO  38  -6.340 -12.597  16.024
  424   1HB   PRO  38          1HB       PRO  38  -5.001 -14.862  16.822
  425   2HB   PRO  38          2HB       PRO  38  -6.623 -14.342  17.349
  426   1HG   PRO  38          1HG       PRO  38  -5.912 -16.343  15.176
  427   2HG   PRO  38          2HG       PRO  38  -7.139 -16.501  16.468
  428   1HD   PRO  38          1HD       PRO  38  -7.792 -15.762  13.943
  429   2HD   PRO  38          2HD       PRO  38  -8.621 -15.039  15.351
  430    QB   PRO  38           QB       PRO  38  -5.812 -14.602  17.085
  431    QG   PRO  38           QG       PRO  38  -6.525 -16.422  15.822
  432    QD   PRO  38           QD       PRO  38  -8.206 -15.400  14.647
  433    H    GLY  39           H        GLY  39  -4.898 -11.335  15.203
  434   1HA   GLY  39          1HA       GLY  39  -2.679 -10.742  14.613
  435   2HA   GLY  39          2HA       GLY  39  -2.388 -12.360  13.989
  436    QA   GLY  39           QA       GLY  39  -2.533 -11.551  14.301
  437    H    ALA  40           H        ALA  40  -5.342 -11.474  12.591
  438    HA   ALA  40           HA       ALA  40  -4.096 -10.596  10.086
  439   1HB   ALA  40          3HB       ALA  40  -7.028 -10.697  10.966
  440   2HB   ALA  40          1HB       ALA  40  -6.486 -10.091   9.410
  441   3HB   ALA  40          2HB       ALA  40  -6.171 -11.774   9.815
  442    QB   ALA  40           QB       ALA  40  -6.562 -10.854  10.064
  443    H    GLU  41           H        GLU  41  -5.632  -9.013  12.908
  444    HA   GLU  41           HA       GLU  41  -6.005  -6.495  11.736
  445   1HB   GLU  41          1HB       GLU  41  -7.063  -7.042  13.728
  446   2HB   GLU  41          2HB       GLU  41  -5.578  -7.406  14.594
  447   1HG   GLU  41          1HG       GLU  41  -6.192  -4.599  13.575
  448   2HG   GLU  41          2HG       GLU  41  -6.905  -5.207  15.062
  449    QB   GLU  41           QB       GLU  41  -6.321  -7.224  14.161
  450    QG   GLU  41           QG       GLU  41  -6.548  -4.903  14.318
  451    H    GLU  42           H        GLU  42  -3.085  -7.700  13.395
  452    HA   GLU  42           HA       GLU  42  -1.749  -5.161  13.186
  453   1HB   GLU  42          1HB       GLU  42  -1.271  -7.088  14.765
  454   2HB   GLU  42          2HB       GLU  42  -0.423  -7.885  13.446
  455   1HG   GLU  42          1HG       GLU  42   0.208  -5.066  14.485
  456   2HG   GLU  42          2HG       GLU  42   0.922  -6.527  15.161
  457    QB   GLU  42           QB       GLU  42  -0.847  -7.487  14.105
  458    QG   GLU  42           QG       GLU  42   0.565  -5.796  14.823
  459    H    LYS  43           H        LYS  43  -1.991  -7.987  11.070
  460    HA   LYS  43           HA       LYS  43  -0.137  -7.267   9.117
  461   1HB   LYS  43          1HB       LYS  43  -1.910  -9.375   9.620
  462   2HB   LYS  43          2HB       LYS  43  -2.574  -8.678   8.166
  463   1HG   LYS  43          1HG       LYS  43  -0.756  -9.243   6.868
  464   2HG   LYS  43          2HG       LYS  43   0.393  -9.195   8.202
  465   1HD   LYS  43          1HD       LYS  43  -1.730 -11.327   8.270
  466   2HD   LYS  43          2HD       LYS  43  -0.393 -11.495   7.136
  467   1HE   LYS  43          1HE       LYS  43  -0.012 -12.687   9.269
  468   2HE   LYS  43          2HE       LYS  43   1.241 -11.500   8.892
  469   1HZ   LYS  43          1HZ       LYS  43  -0.975 -10.944  10.795
  470   2HZ   LYS  43          2HZ       LYS  43   0.496 -11.453  11.244
  471   3HZ   LYS  43          3HZ       LYS  43   0.362 -10.023  10.495
  472    QB   LYS  43           QB       LYS  43  -2.242  -9.027   8.893
  473    QG   LYS  43           QG       LYS  43  -0.182  -9.219   7.535
  474    QD   LYS  43           QD       LYS  43  -1.062 -11.411   7.703
  475    QE   LYS  43           QE       LYS  43   0.615 -12.094   9.080
  476    QZ   LYS  43           QZ       LYS  43  -0.039 -10.807  10.845
  477    H    PHE  44           H        PHE  44  -3.634  -6.644   9.425
  478    HA   PHE  44           HA       PHE  44  -4.001  -5.009   7.149
  479   1HB   PHE  44          1HB       PHE  44  -5.791  -6.024   8.541
  480   2HB   PHE  44          2HB       PHE  44  -5.428  -4.910   9.835
  481    HD1  PHE  44          1HD       PHE  44  -6.625  -5.093   6.292
  482    HD2  PHE  44          2HD       PHE  44  -6.410  -2.740   9.906
  483    HE1  PHE  44          1HE       PHE  44  -8.285  -3.495   5.364
  484    HE2  PHE  44          2HE       PHE  44  -8.076  -1.155   8.962
  485   1HZ   PHE  44           HZ       PHE  44  -9.001  -1.529   6.684
  486    QB   PHE  44           QB       PHE  44  -5.610  -5.467   9.188
  487    QG   PHE  44           QD       PHE  44  -6.517  -3.916   8.099
  488    QZ   PHE  44           QE       PHE  44  -8.180  -2.325   7.163
  489    QZ   PHE  44           QR       PHE  44  -7.679  -2.802   7.441
  490    H    LYS  45           H        LYS  45  -3.017  -4.181  10.493
  491    HA   LYS  45           HA       LYS  45  -2.941  -1.358  10.156
  492   1HB   LYS  45          1HB       LYS  45  -2.963  -2.646  12.305
  493   2HB   LYS  45          2HB       LYS  45  -1.283  -3.110  12.016
  494   1HG   LYS  45          1HG       LYS  45  -0.630  -0.694  12.070
  495   2HG   LYS  45          2HG       LYS  45  -2.329  -0.276  12.401
  496   1HD   LYS  45          1HD       LYS  45  -2.234  -1.803  14.402
  497   2HD   LYS  45          2HD       LYS  45  -0.500  -2.031  14.114
  498   1HE   LYS  45          1HE       LYS  45  -0.079   0.355  14.467
  499   2HE   LYS  45          2HE       LYS  45  -1.815   0.681  14.562
  500   1HZ   LYS  45          1HZ       LYS  45  -1.917  -0.723  16.522
  501   2HZ   LYS  45          2HZ       LYS  45  -0.288  -0.944  16.509
  502   3HZ   LYS  45          3HZ       LYS  45  -0.938   0.564  16.748
  503    QB   LYS  45           QB       LYS  45  -2.123  -2.878  12.160
  504    QG   LYS  45           QG       LYS  45  -1.479  -0.485  12.236
  505    QD   LYS  45           QD       LYS  45  -1.367  -1.917  14.258
  506    QE   LYS  45           QE       LYS  45  -0.947   0.518  14.514
  507    QZ   LYS  45           QZ       LYS  45  -1.047  -0.368  16.593
  508    H    GLU  46           H        GLU  46  -0.296  -3.856   9.661
  509    HA   GLU  46           HA       GLU  46   1.614  -1.941   8.968
  510   1HB   GLU  46          1HB       GLU  46   1.436  -4.690   9.405
  511   2HB   GLU  46          2HB       GLU  46   1.973  -4.573   7.730
  512   1HG   GLU  46          1HG       GLU  46   3.492  -2.699   9.134
  513   2HG   GLU  46          2HG       GLU  46   3.335  -3.981  10.306
  514    QB   GLU  46           QB       GLU  46   1.705  -4.632   8.568
  515    QG   GLU  46           QG       GLU  46   3.413  -3.340   9.720
  516    H    ILE  47           H        ILE  47  -0.675  -3.938   7.059
  517    HA   ILE  47           HA       ILE  47   0.033  -2.984   4.484
  518    HB   ILE  47           HB       ILE  47  -2.510  -4.095   5.682
  519   1HG1  ILE  47          1HG1      ILE  47  -0.581  -4.957   3.465
  520   2HG1  ILE  47          2HG1      ILE  47  -0.651  -5.599   5.108
  521   1HG2  ILE  47          3HG2      ILE  47  -3.352  -2.390   4.103
  522   2HG2  ILE  47          1HG2      ILE  47  -2.322  -3.076   2.823
  523   3HG2  ILE  47          2HG2      ILE  47  -3.672  -4.001   3.517
  524   1HD1  ILE  47          3HD1      ILE  47  -3.082  -6.234   4.594
  525   2HD1  ILE  47          1HD1      ILE  47  -2.685  -5.934   2.890
  526   3HD1  ILE  47          2HD1      ILE  47  -1.802  -7.183   3.775
  527    QG1  ILE  47           QG1      ILE  47  -0.616  -5.278   4.287
  528    QG2  ILE  47           QG2      ILE  47  -3.115  -3.156   3.481
  529    QD1  ILE  47           QD1      ILE  47  -2.523  -6.450   3.753
  530    H    ALA  48           H        ALA  48  -2.044  -1.459   7.025
  531    HA   ALA  48           HA       ALA  48  -3.165   0.487   5.352
  532   1HB   ALA  48          3HB       ALA  48  -3.955  -0.106   7.593
  533   2HB   ALA  48          1HB       ALA  48  -2.578   0.764   8.313
  534   3HB   ALA  48          2HB       ALA  48  -3.793   1.646   7.360
  535    QB   ALA  48           QB       ALA  48  -3.442   0.768   7.755
  536    H    GLU  49           H        GLU  49  -0.019   0.420   6.918
  537    HA   GLU  49           HA       GLU  49   0.659   3.211   6.447
  538   1HB   GLU  49          1HB       GLU  49   1.907   2.099   8.110
  539   2HB   GLU  49          2HB       GLU  49   2.276   0.710   7.078
  540   1HG   GLU  49          1HG       GLU  49   3.852   1.885   5.789
  541   2HG   GLU  49          2HG       GLU  49   3.181   3.457   6.261
  542    QB   GLU  49           QB       GLU  49   2.092   1.405   7.594
  543    QG   GLU  49           QG       GLU  49   3.516   2.671   6.025
  544    H    ALA  50           H        ALA  50   1.045   0.167   4.629
  545    HA   ALA  50           HA       ALA  50   2.393   1.444   2.397
  546   1HB   ALA  50          1HB       ALA  50   2.649  -0.968   2.985
  547   2HB   ALA  50          2HB       ALA  50   0.951  -1.239   2.536
  548   3HB   ALA  50          3HB       ALA  50   2.115  -0.712   1.320
  549    QB   ALA  50           QB       ALA  50   1.905  -0.973   2.281
  550    H    TYR  51           H        TYR  51  -0.905   0.676   3.273
  551    HA   TYR  51           HA       TYR  51  -2.296   0.864   0.866
  552   1HB   TYR  51          1HB       TYR  51  -2.902   0.115   3.292
  553   2HB   TYR  51          2HB       TYR  51  -3.374   1.787   3.548
  554    HD1  TYR  51          1HD       TYR  51  -3.981  -1.390   1.793
  555    HD2  TYR  51          2HD       TYR  51  -5.511   2.542   2.678
  556    HE1  TYR  51          1HE       TYR  51  -6.231  -2.123   1.112
  557    HE2  TYR  51          2HE       TYR  51  -7.797   1.784   2.055
  558    HH   TYR  51           HH       TYR  51  -9.040   0.124   1.124
  559    QB   TYR  51           QB       TYR  51  -3.138   0.951   3.420
  560    QG   TYR  51           QD       TYR  51  -4.746   0.576   2.235
  561    QZ   TYR  51           QE       TYR  51  -7.014  -0.169   1.584
  562    QR   TYR  51           QR       TYR  51  -5.880   0.203   1.909
  563    H    ASP  52           H        ASP  52  -1.362   3.398   3.169
  564    HA   ASP  52           HA       ASP  52  -2.807   5.601   2.090
  565   1HB   ASP  52          1HB       ASP  52  -1.619   5.507   4.284
  566   2HB   ASP  52          2HB       ASP  52  -0.081   5.517   3.443
  567    QB   ASP  52           QB       ASP  52  -0.850   5.512   3.864
  568    H    VAL  53           H        VAL  53   0.487   4.377   1.428
  569    HA   VAL  53           HA       VAL  53   1.114   6.257  -0.685
  570    HB   VAL  53           HB       VAL  53   2.219   3.562   0.220
  571   1HG1  VAL  53          2HG1      VAL  53   3.315   5.194  -2.083
  572   2HG1  VAL  53          3HG1      VAL  53   4.064   3.756  -1.336
  573   3HG1  VAL  53          1HG1      VAL  53   2.551   3.600  -2.207
  574   1HG2  VAL  53          1HG2      VAL  53   2.692   5.536   1.618
  575   2HG2  VAL  53          2HG2      VAL  53   4.151   4.871   0.864
  576   3HG2  VAL  53          3HG2      VAL  53   3.418   6.345   0.206
  577    QG1  VAL  53           QG1      VAL  53   3.310   4.183  -1.876
  578    QG2  VAL  53           QG2      VAL  53   3.420   5.584   0.896
  579    QQG  VAL  53           QQG      VAL  53   3.365   4.883  -0.490
  580    H    LEU  54           H        LEU  54   0.118   2.819  -0.687
  581    HA   LEU  54           HA       LEU  54  -0.412   2.649  -3.480
  582   1HB   LEU  54          1HB       LEU  54  -1.001   0.897  -1.114
  583   2HB   LEU  54          2HB       LEU  54  -1.483   0.531  -2.735
  584    HG   LEU  54           HG       LEU  54   0.293  -0.611  -2.884
  585   1HD1  LEU  54          1HD1      LEU  54   0.817   1.044  -4.535
  586   2HD1  LEU  54          2HD1      LEU  54   1.813   1.940  -3.372
  587   3HD1  LEU  54          3HD1      LEU  54   2.271   0.312  -3.881
  588   1HD2  LEU  54          2HD2      LEU  54   0.885  -0.249  -0.486
  589   2HD2  LEU  54          3HD2      LEU  54   2.234  -0.621  -1.540
  590   3HD2  LEU  54          1HD2      LEU  54   1.976   1.057  -1.011
  591    QB   LEU  54           QB       LEU  54  -1.242   0.714  -1.924
  592    QD1  LEU  54           QD1      LEU  54   1.634   1.099  -3.929
  593    QD2  LEU  54           QD2      LEU  54   1.698   0.062  -1.012
  594    QQD  LEU  54           QQD      LEU  54   1.666   0.581  -2.471
  595    H    SER  55           H        SER  55  -1.934   4.868  -2.011
  596    HA   SER  55           HA       SER  55  -4.121   4.436  -3.822
  597   1HB   SER  55          1HB       SER  55  -5.840   5.261  -2.256
  598   2HB   SER  55          2HB       SER  55  -5.247   3.628  -1.968
  599    HG   SER  55           HG       SER  55  -3.999   4.379  -0.260
  600    QB   SER  55           QB       SER  55  -5.543   4.445  -2.112
  601    H    ASP  56           H        ASP  56  -2.437   6.788  -1.557
  602    HA   ASP  56           HA       ASP  56  -3.664   8.998  -2.975
  603   1HB   ASP  56          1HB       ASP  56  -3.237   9.295  -0.650
  604   2HB   ASP  56          2HB       ASP  56  -1.540   8.857  -0.830
  605    QB   ASP  56           QB       ASP  56  -2.388   9.076  -0.740
  606    HA   PRO  57           HA       PRO  57  -0.421   8.770  -6.132
  607   1HB   PRO  57          1HB       PRO  57  -1.207  10.822  -7.747
  608   2HB   PRO  57          2HB       PRO  57  -2.014   9.223  -7.722
  609   1HG   PRO  57          1HG       PRO  57  -2.839  11.743  -6.242
  610   2HG   PRO  57          2HG       PRO  57  -3.854  10.664  -7.251
  611   1HD   PRO  57          1HD       PRO  57  -3.788  10.434  -4.554
  612   2HD   PRO  57          2HD       PRO  57  -3.886   8.984  -5.594
  613    QB   PRO  57           QB       PRO  57  -1.611  10.022  -7.735
  614    QG   PRO  57           QG       PRO  57  -3.347  11.204  -6.747
  615    QD   PRO  57           QD       PRO  57  -3.837   9.709  -5.074
  616    H    ARG  58           H        ARG  58  -1.251  11.642  -4.124
  617    HA   ARG  58           HA       ARG  58   1.236  13.038  -4.900
  618   1HB   ARG  58          1HB       ARG  58  -0.678  13.539  -2.563
  619   2HB   ARG  58          2HB       ARG  58   0.631  14.588  -3.095
  620   1HG   ARG  58          1HG       ARG  58  -1.960  14.008  -4.571
  621   2HG   ARG  58          2HG       ARG  58  -1.384  15.526  -3.872
  622   1HD   ARG  58          1HD       ARG  58   0.649  15.168  -5.538
  623   2HD   ARG  58          2HD       ARG  58  -0.492  14.129  -6.395
  624    HE   ARG  58           HE       ARG  58  -1.886  16.472  -5.909
  625   1HH1  ARG  58          2HH2      ARG  58   1.363  15.874  -7.393
  626   2HH1  ARG  58          1HH2      ARG  58   1.245  17.275  -8.378
  627   1HH2  ARG  58          2HH1      ARG  58  -2.026  18.207  -7.413
  628   2HH2  ARG  58          1HH1      ARG  58  -0.601  18.651  -8.321
  629    QB   ARG  58           QB       ARG  58  -0.023  14.064  -2.829
  630    QG   ARG  58           QG       ARG  58  -1.672  14.767  -4.222
  631    QD   ARG  58           QD       ARG  58   0.079  14.648  -5.967
  632    QH1  ARG  58           QH2      ARG  58   1.304  16.575  -7.886
  633    QH2  ARG  58           QH1      ARG  58  -1.313  18.429  -7.867
  634    H    LYS  59           H        LYS  59   0.235  10.671  -2.500
  635    HA   LYS  59           HA       LYS  59   2.670  10.948  -0.900
  636   1HB   LYS  59          1HB       LYS  59   0.386   9.926  -0.180
  637   2HB   LYS  59          2HB       LYS  59   0.837   8.520  -1.126
  638   1HG   LYS  59          1HG       LYS  59   1.604   7.805   0.852
  639   2HG   LYS  59          2HG       LYS  59   3.041   8.739   0.446
  640   1HD   LYS  59          1HD       LYS  59   0.667   9.654   2.152
  641   2HD   LYS  59          2HD       LYS  59   2.191   9.020   2.769
  642   1HE   LYS  59          1HE       LYS  59   3.355  10.978   1.613
  643   2HE   LYS  59          2HE       LYS  59   1.737  11.657   1.316
  644   1HZ   LYS  59          2HZ       LYS  59   2.845  10.964   3.963
  645   2HZ   LYS  59          3HZ       LYS  59   2.792  12.489   3.372
  646   3HZ   LYS  59          1HZ       LYS  59   1.397  11.670   3.732
  647    QB   LYS  59           QB       LYS  59   0.611   9.223  -0.653
  648    QG   LYS  59           QG       LYS  59   2.323   8.272   0.649
  649    QD   LYS  59           QD       LYS  59   1.429   9.337   2.460
  650    QE   LYS  59           QE       LYS  59   2.546  11.317   1.464
  651    QZ   LYS  59           QZ       LYS  59   2.345  11.708   3.689
  652    H    ARG  60           H        ARG  60   1.430   8.745  -3.483
  653    HA   ARG  60           HA       ARG  60   3.892   7.351  -3.840
  654   1HB   ARG  60          1HB       ARG  60   1.458   7.769  -5.584
  655   2HB   ARG  60          2HB       ARG  60   2.903   6.984  -6.256
  656   1HG   ARG  60          1HG       ARG  60   2.945   5.321  -4.536
  657   2HG   ARG  60          2HG       ARG  60   1.703   6.142  -3.626
  658   1HD   ARG  60          1HD       ARG  60   1.371   4.826  -6.347
  659   2HD   ARG  60          2HD       ARG  60   0.900   4.124  -4.795
  660    HE   ARG  60           HE       ARG  60  -0.664   5.934  -4.457
  661   1HH1  ARG  60          2HH2      ARG  60   0.459   5.582  -7.852
  662   2HH1  ARG  60          1HH2      ARG  60  -1.055   6.022  -8.538
  663   1HH2  ARG  60          2HH1      ARG  60  -2.761   6.645  -5.529
  664   2HH2  ARG  60          1HH1      ARG  60  -2.823   6.618  -7.259
  665    QB   ARG  60           QB       ARG  60   2.180   7.376  -5.920
  666    QG   ARG  60           QG       ARG  60   2.324   5.731  -4.081
  667    QD   ARG  60           QD       ARG  60   1.136   4.475  -5.571
  668    QH1  ARG  60           QH2      ARG  60  -0.298   5.802  -8.195
  669    QH2  ARG  60           QH1      ARG  60  -2.792   6.631  -6.394
  670    H    GLU  61           H        GLU  61   2.887  10.495  -5.264
  671    HA   GLU  61           HA       GLU  61   4.818  10.675  -7.191
  672   1HB   GLU  61          1HB       GLU  61   3.000  12.365  -6.472
  673   2HB   GLU  61          2HB       GLU  61   4.124  12.919  -5.226
  674   1HG   GLU  61          1HG       GLU  61   5.768  13.355  -7.143
  675   2HG   GLU  61          2HG       GLU  61   4.415  13.080  -8.252
  676    QB   GLU  61           QB       GLU  61   3.562  12.642  -5.849
  677    QG   GLU  61           QG       GLU  61   5.092  13.217  -7.698
  678    H    ILE  62           H        ILE  62   5.269  11.179  -3.679
  679    HA   ILE  62           HA       ILE  62   8.065  11.850  -3.927
  680    HB   ILE  62           HB       ILE  62   6.334  11.106  -1.529
  681   1HG1  ILE  62          1HG1      ILE  62   7.214  13.755  -2.761
  682   2HG1  ILE  62          2HG1      ILE  62   5.574  13.138  -2.626
  683   1HG2  ILE  62          3HG2      ILE  62   8.706  10.654  -1.009
  684   2HG2  ILE  62          1HG2      ILE  62   9.143  12.293  -1.531
  685   3HG2  ILE  62          2HG2      ILE  62   8.115  12.026  -0.107
  686   1HD1  ILE  62          3HD1      ILE  62   5.737  13.332  -0.135
  687   2HD1  ILE  62          1HD1      ILE  62   7.311  14.142  -0.354
  688   3HD1  ILE  62          2HD1      ILE  62   5.847  14.865  -1.024
  689    QG1  ILE  62           QG1      ILE  62   6.394  13.447  -2.694
  690    QG2  ILE  62           QG2      ILE  62   8.655  11.658  -0.882
  691    QD1  ILE  62           QD1      ILE  62   6.298  14.113  -0.504
  692    H    PHE  63           H        PHE  63   6.216   8.873  -3.498
  693    HA   PHE  63           HA       PHE  63   8.549   7.308  -2.740
  694   1HB   PHE  63          1HB       PHE  63   5.926   7.007  -2.263
  695   2HB   PHE  63          2HB       PHE  63   5.982   6.091  -3.762
  696    HD1  PHE  63          2HD       PHE  63   7.553   4.058  -3.880
  697    HD2  PHE  63          1HD       PHE  63   6.816   6.236  -0.234
  698    HE1  PHE  63          2HE       PHE  63   8.412   2.130  -2.543
  699    HE2  PHE  63          1HE       PHE  63   7.654   4.319   1.088
  700   1HZ   PHE  63           HZ       PHE  63   8.396   2.246  -0.086
  701    QB   PHE  63           QB       PHE  63   5.954   6.549  -3.012
  702    QG   PHE  63           QD       PHE  63   7.184   5.147  -2.057
  703    QZ   PHE  63           QE       PHE  63   8.033   3.224  -0.728
  704    QZ   PHE  63           QR       PHE  63   7.766   3.798  -1.131
  705    H    ASP  64           H        ASP  64   6.922   8.147  -5.757
  706    HA   ASP  64           HA       ASP  64   8.231   6.177  -7.409
  707   1HB   ASP  64          1HB       ASP  64   5.993   7.467  -7.804
  708   2HB   ASP  64          2HB       ASP  64   7.012   8.780  -8.351
  709    QB   ASP  64           QB       ASP  64   6.503   8.123  -8.078
  710    H    ARG  65           H        ARG  65   8.638   9.736  -6.843
  711    HA   ARG  65           HA       ARG  65  10.913  10.007  -8.419
  712   1HB   ARG  65          1HB       ARG  65  11.031  12.142  -7.612
  713   2HB   ARG  65          2HB       ARG  65   9.314  11.791  -7.486
  714   1HG   ARG  65          1HG       ARG  65   9.796  11.314  -5.035
  715   2HG   ARG  65          2HG       ARG  65  11.394  12.008  -5.298
  716   1HD   ARG  65          1HD       ARG  65  10.379  14.149  -5.944
  717   2HD   ARG  65          2HD       ARG  65   8.755  13.467  -5.694
  718    HE   ARG  65           HE       ARG  65  10.094  12.958  -3.340
  719   1HH1  ARG  65          2HH2      ARG  65   9.315  15.990  -5.037
  720   2HH1  ARG  65          1HH2      ARG  65   9.903  16.974  -3.713
  721   1HH2  ARG  65          1HH1      ARG  65  10.303  16.029  -1.671
  722   2HH2  ARG  65          2HH1      ARG  65  10.280  14.334  -1.423
  723    QB   ARG  65           QB       ARG  65  10.173  11.967  -7.549
  724    QG   ARG  65           QG       ARG  65  10.595  11.661  -5.167
  725    QD   ARG  65           QD       ARG  65   9.567  13.808  -5.819
  726    QH1  ARG  65           QH2      ARG  65   9.609  16.482  -4.375
  727    QH2  ARG  65           QH1      ARG  65  10.291  15.181  -1.547
  728    H    TYR  66           H        TYR  66  10.652   9.310  -4.980
  729    HA   TYR  66           HA       TYR  66  13.579   8.677  -4.871
  730   1HB   TYR  66          1HB       TYR  66  11.734   9.503  -2.619
  731   2HB   TYR  66          2HB       TYR  66  13.455   9.173  -2.476
  732    HD1  TYR  66          1HD       TYR  66  14.362  10.724  -5.044
  733    HD2  TYR  66          2HD       TYR  66  11.758  11.727  -1.756
  734    HE1  TYR  66          1HE       TYR  66  14.907  13.117  -5.330
  735    HE2  TYR  66          2HE       TYR  66  12.419  14.075  -1.965
  736    HH   TYR  66           HH       TYR  66  14.035  15.482  -2.841
  737    QB   TYR  66           QB       TYR  66  12.594   9.338  -2.548
  738    QG   TYR  66           QD       TYR  66  13.060  11.225  -3.400
  739    QZ   TYR  66           QE       TYR  66  13.663  13.596  -3.648
  740    QR   TYR  66           QR       TYR  66  13.362  12.411  -3.524
  741    H    GLY  67           H        GLY  67  10.680   7.720  -2.944
  742   1HA   GLY  67          1HA       GLY  67  10.059   5.270  -2.901
  743   2HA   GLY  67          2HA       GLY  67  11.784   4.939  -2.822
  744    QA   GLY  67           QA       GLY  67  10.921   5.104  -2.861
  745    H    GLU  68           H        GLU  68  11.737   4.022  -0.763
  746    HA   GLU  68           HA       GLU  68  10.356   4.975   1.510
  747   1HB   GLU  68          1HB       GLU  68  12.998   3.445   1.354
  748   2HB   GLU  68          2HB       GLU  68  12.003   3.655   2.784
  749   1HG   GLU  68          1HG       GLU  68  11.598   1.491   2.030
  750   2HG   GLU  68          2HG       GLU  68  10.141   2.422   1.666
  751    QB   GLU  68           QB       GLU  68  12.501   3.550   2.069
  752    QG   GLU  68           QG       GLU  68  10.870   1.957   1.848
  753    H    GLU  69           H        GLU  69  13.558   5.846   0.141
  754    HA   GLU  69           HA       GLU  69  14.439   7.311   2.471
  755   1HB   GLU  69          1HB       GLU  69  15.319   7.153  -0.434
  756   2HB   GLU  69          2HB       GLU  69  16.009   8.358   0.644
  757   1HG   GLU  69          1HG       GLU  69  16.760   6.693   2.229
  758   2HG   GLU  69          2HG       GLU  69  15.975   5.400   1.309
  759    QB   GLU  69           QB       GLU  69  15.664   7.755   0.105
  760    QG   GLU  69           QG       GLU  69  16.367   6.047   1.769
  761    H    GLY  70           H        GLY  70  12.024   8.034   0.167
  762   1HA   GLY  70          1HA       GLY  70  12.309  10.978   0.450
  763   2HA   GLY  70          2HA       GLY  70  11.181  10.078  -0.581
  764    QA   GLY  70           QA       GLY  70  11.745  10.528  -0.066
  765    H    LEU  71           H        LEU  71  10.580   8.257   1.897
  766    HA   LEU  71           HA       LEU  71   8.223   9.983   2.418
  767   1HB   LEU  71          1HB       LEU  71   7.988   7.894   1.000
  768   2HB   LEU  71          2HB       LEU  71   8.339   6.960   2.458
  769    HG   LEU  71           HG       LEU  71   6.419   8.609   3.487
  770   1HD1  LEU  71          2HD1      LEU  71   6.186   9.813   1.285
  771   2HD1  LEU  71          3HD1      LEU  71   5.543   8.313   0.589
  772   3HD1  LEU  71          1HD1      LEU  71   4.699   9.123   1.935
  773   1HD2  LEU  71          2HD2      LEU  71   5.855   6.101   1.884
  774   2HD2  LEU  71          3HD2      LEU  71   6.312   6.216   3.590
  775   3HD2  LEU  71          1HD2      LEU  71   4.752   6.859   3.058
  776    QB   LEU  71           QB       LEU  71   8.164   7.427   1.729
  777    QD1  LEU  71           QD1      LEU  71   5.476   9.083   1.270
  778    QD2  LEU  71           QD2      LEU  71   5.640   6.392   2.844
  779    QQD  LEU  71           QQD      LEU  71   5.558   7.737   2.057
  780    H    LYS  72           H        LYS  72   8.292  10.866   4.366
  781    HA   LYS  72           HA       LYS  72   9.470   9.559   6.673
  782   1HB   LYS  72          1HB       LYS  72   9.265  12.114   5.948
  783   2HB   LYS  72          2HB       LYS  72   7.753  12.050   6.833
  784   1HG   LYS  72          1HG       LYS  72  10.536  11.337   7.903
  785   2HG   LYS  72          2HG       LYS  72   9.689  12.866   8.157
  786   1HD   LYS  72          1HD       LYS  72   7.876  11.641   9.361
  787   2HD   LYS  72          2HD       LYS  72   8.825  10.141   9.205
  788   1HE   LYS  72          1HE       LYS  72  10.617  11.045  10.504
  789   2HE   LYS  72          2HE       LYS  72   9.873  12.655  10.549
  790   1HZ   LYS  72          1HZ       LYS  72   8.586  10.243  11.660
  791   2HZ   LYS  72          2HZ       LYS  72   9.519  11.289  12.559
  792   3HZ   LYS  72          3HZ       LYS  72   8.101  11.783  11.859
  793    QB   LYS  72           QB       LYS  72   8.509  12.082   6.391
  794    QG   LYS  72           QG       LYS  72  10.113  12.101   8.030
  795    QD   LYS  72           QD       LYS  72   8.351  10.891   9.283
  796    QE   LYS  72           QE       LYS  72  10.245  11.850  10.526
  797    QZ   LYS  72           QZ       LYS  72   8.735  11.105  12.026
  798    H    GLY  73           H        GLY  73   7.622   7.768   5.787
  799   1HA   GLY  73          1HA       GLY  73   5.250   7.931   7.602
  800   2HA   GLY  73          2HA       GLY  73   5.650   6.598   6.497
  801    QA   GLY  73           QA       GLY  73   5.450   7.265   7.050
  802    H    SER  74           H        SER  74   5.358   6.879   9.565
  803    HA   SER  74           HA       SER  74   6.104   6.126  11.467
  804   1HB   SER  74          1HB       SER  74   7.099   3.811  11.411
  805   2HB   SER  74          2HB       SER  74   5.525   4.070  10.656
  806    HG   SER  74           HG       SER  74   6.286   3.739   8.747
  807    QB   SER  74           QB       SER  74   6.312   3.940  11.034
  808    H    GLY  75           H        GLY  75   8.886   6.822   9.468
  809   1HA   GLY  75          1HA       GLY  75  11.090   7.155   9.945
  810   2HA   GLY  75          2HA       GLY  75  10.625   7.564  11.609
  811    QA   GLY  75           QA       GLY  75  10.858   7.359  10.777
  812    H    CYS  76           H        CYS  76  11.135   6.144  13.177
  813    HA   CYS  76           HA       CYS  76  10.882   3.320  12.813
  814   1HB   CYS  76          1HB       CYS  76  13.377   4.558  14.076
  815   2HB   CYS  76          2HB       CYS  76  12.875   2.871  14.260
  816    HG   CYS  76           HG       CYS  76  13.672   4.559  11.541
  817    QB   CYS  76           QB       CYS  76  13.126   3.714  14.168
   
  No H/Q in entry =         817
  Start of MODEL    2
    1    H    MET   0           H        MET   0  10.630   6.211   5.963
    2    HA   MET   0           HA       MET   0   9.367   3.932   7.358
    3   1HB   MET   0          1HB       MET   0   7.213   4.981   7.111
    4   2HB   MET   0          2HB       MET   0   8.250   6.272   7.696
    5   1HG   MET   0          1HG       MET   0   8.598   7.024   5.327
    6   2HG   MET   0          2HG       MET   0   7.416   5.825   4.809
    7   1HE   MET   0          3HE       MET   0   5.085   5.937   6.882
    8   2HE   MET   0          1HE       MET   0   4.059   7.262   6.313
    9   3HE   MET   0          2HE       MET   0   4.714   6.108   5.147
   10    QB   MET   0           QB       MET   0   7.732   5.626   7.403
   11    QG   MET   0           QG       MET   0   8.007   6.424   5.068
   12    QE   MET   0           QE       MET   0   4.619   6.436   6.114
   13    H    GLY   1           H        GLY   1  10.311   4.936   4.143
   14   1HA   GLY   1          1HA       GLY   1   8.622   2.930   2.897
   15   2HA   GLY   1          2HA       GLY   1   9.956   3.858   2.189
   16    QA   GLY   1           QA       GLY   1   9.289   3.394   2.543
   17    H    LYS   2           H        LYS   2   9.726   1.624   5.022
   18    HA   LYS   2           HA       LYS   2  11.895  -0.078   4.147
   19   1HB   LYS   2          1HB       LYS   2  11.092  -1.569   5.865
   20   2HB   LYS   2          2HB       LYS   2  11.148   0.081   6.452
   21   1HG   LYS   2          1HG       LYS   2   8.655   0.251   6.129
   22   2HG   LYS   2          2HG       LYS   2   8.632  -1.438   5.605
   23   1HD   LYS   2          1HD       LYS   2   9.629  -2.118   7.784
   24   2HD   LYS   2          2HD       LYS   2   9.641  -0.417   8.269
   25   1HE   LYS   2          1HE       LYS   2   7.759  -1.393   9.310
   26   2HE   LYS   2          2HE       LYS   2   7.138  -0.360   8.020
   27   1HZ   LYS   2          1HZ       LYS   2   7.468  -3.288   7.725
   28   2HZ   LYS   2          2HZ       LYS   2   6.101  -2.561   8.277
   29   3HZ   LYS   2          3HZ       LYS   2   6.619  -2.274   6.752
   30    QB   LYS   2           QB       LYS   2  11.120  -0.744   6.159
   31    QG   LYS   2           QG       LYS   2   8.643  -0.594   5.867
   32    QD   LYS   2           QD       LYS   2   9.635  -1.268   8.027
   33    QE   LYS   2           QE       LYS   2   7.448  -0.876   8.665
   34    QZ   LYS   2           QZ       LYS   2   6.729  -2.707   7.584
   35    H    ASP   3           H        ASP   3  10.565   0.347   1.840
   36    HA   ASP   3           HA       ASP   3   9.574  -0.401   0.059
   37   1HB   ASP   3          1HB       ASP   3   9.989  -2.441  -0.588
   38   2HB   ASP   3          2HB       ASP   3  10.558  -2.829   1.017
   39    QB   ASP   3           QB       ASP   3  10.274  -2.635   0.215
   40    H    TYR   4           H        TYR   4   7.585  -0.236  -0.756
   41    HA   TYR   4           HA       TYR   4   5.254  -0.831   1.013
   42   1HB   TYR   4          1HB       TYR   4   5.600   1.703  -0.570
   43   2HB   TYR   4          2HB       TYR   4   4.092   1.134   0.135
   44    HD1  TYR   4          1HD       TYR   4   4.960   0.099   2.842
   45    HD2  TYR   4          2HD       TYR   4   5.938   3.708   0.663
   46    HE1  TYR   4          1HE       TYR   4   5.227   1.269   4.944
   47    HE2  TYR   4          2HE       TYR   4   6.211   4.900   2.828
   48    HH   TYR   4           HH       TYR   4   5.623   3.269   5.977
   49    QB   TYR   4           QB       TYR   4   4.846   1.418  -0.218
   50    QG   TYR   4           QD       TYR   4   5.449   1.903   1.753
   51    QZ   TYR   4           QE       TYR   4   5.719   3.084   3.886
   52    QR   TYR   4           QR       TYR   4   5.584   2.494   2.819
   53    H    TYR   5           H        TYR   5   6.603  -0.941  -2.297
   54    HA   TYR   5           HA       TYR   5   4.140  -1.566  -3.616
   55   1HB   TYR   5          1HB       TYR   5   7.090  -2.059  -4.152
   56   2HB   TYR   5          2HB       TYR   5   5.856  -2.784  -5.151
   57    HD1  TYR   5          2HD       TYR   5   4.303  -1.403  -6.537
   58    HD2  TYR   5          1HD       TYR   5   7.660   0.304  -4.427
   59    HE1  TYR   5          2HE       TYR   5   4.310   0.508  -8.106
   60    HE2  TYR   5          1HE       TYR   5   7.667   2.214  -6.000
   61    HH   TYR   5           HH       TYR   5   5.867   2.294  -8.974
   62    QB   TYR   5           QB       TYR   5   6.473  -2.421  -4.652
   63    QG   TYR   5           QD       TYR   5   5.981  -0.549  -5.482
   64    QZ   TYR   5           QE       TYR   5   5.989   1.361  -7.053
   65    QR   TYR   5           QR       TYR   5   5.985   0.406  -6.268
   66    H    GLN   6           H        GLN   6   6.785  -3.674  -2.300
   67    HA   GLN   6           HA       GLN   6   5.325  -6.075  -2.676
   68   1HB   GLN   6          1HB       GLN   6   7.397  -6.232  -0.706
   69   2HB   GLN   6          2HB       GLN   6   7.133  -7.123  -2.139
   70   1HG   GLN   6          1HG       GLN   6   8.335  -5.342  -3.439
   71   2HG   GLN   6          2HG       GLN   6   8.556  -4.396  -1.974
   72   1HE2  GLN   6          2HE2      GLN   6  10.775  -6.954  -0.497
   73   2HE2  GLN   6          1HE2      GLN   6   9.530  -5.783  -0.069
   74    QB   GLN   6           QB       GLN   6   7.265  -6.677  -1.423
   75    QG   GLN   6           QG       GLN   6   8.445  -4.869  -2.706
   76    QE2  GLN   6           QE2      GLN   6  10.153  -6.369  -0.283
   77    H    THR   7           H        THR   7   5.830  -4.057   0.072
   78    HA   THR   7           HA       THR   7   4.373  -5.497   1.947
   79    HB   THR   7           HB       THR   7   4.166  -2.480   1.592
   80    HG1  THR   7          1HG       THR   7   6.196  -2.551   2.175
   81   1HG2  THR   7          1HG2      THR   7   3.659  -4.217   4.038
   82   2HG2  THR   7          2HG2      THR   7   3.798  -2.441   4.078
   83   3HG2  THR   7          3HG2      THR   7   2.471  -3.189   3.207
   84    QG2  THR   7           QG2      THR   7   3.310  -3.283   3.774
   85    H    LEU   8           H        LEU   8   2.941  -3.820  -0.744
   86    HA   LEU   8           HA       LEU   8   0.275  -4.853   0.100
   87   1HB   LEU   8          1HB       LEU   8   0.581  -2.373  -0.514
   88   2HB   LEU   8          2HB       LEU   8   0.778  -2.923  -2.168
   89    HG   LEU   8           HG       LEU   8  -1.517  -4.102  -1.897
   90   1HD1  LEU   8          3HD1      LEU   8  -1.597  -2.335   0.580
   91   2HD1  LEU   8          1HD1      LEU   8  -2.992  -3.181  -0.129
   92   3HD1  LEU   8          2HD1      LEU   8  -1.657  -4.106   0.568
   93   1HD2  LEU   8          1HD2      LEU   8  -1.223  -1.953  -3.108
   94   2HD2  LEU   8          2HD2      LEU   8  -2.797  -2.266  -2.414
   95   3HD2  LEU   8          3HD2      LEU   8  -1.710  -1.116  -1.603
   96    QB   LEU   8           QB       LEU   8   0.679  -2.648  -1.341
   97    QD1  LEU   8           QD1      LEU   8  -2.082  -3.207   0.340
   98    QD2  LEU   8           QD2      LEU   8  -1.910  -1.778  -2.375
   99    QQD  LEU   8           QQD      LEU   8  -1.996  -2.493  -1.018
  100    H    GLY   9           H        GLY   9   2.886  -5.889  -1.611
  101   1HA   GLY   9          1HA       GLY   9   3.143  -7.838  -2.794
  102   2HA   GLY   9          2HA       GLY   9   1.393  -8.095  -2.716
  103    QA   GLY   9           QA       GLY   9   2.268  -7.966  -2.755
  104    H    LEU  10           H        LEU  10   3.606  -5.678  -4.208
  105    HA   LEU  10           HA       LEU  10   2.560  -6.317  -6.918
  106   1HB   LEU  10          1HB       LEU  10   3.165  -3.566  -5.749
  107   2HB   LEU  10          2HB       LEU  10   2.852  -3.884  -7.441
  108    HG   LEU  10           HG       LEU  10   0.665  -4.976  -5.824
  109   1HD1  LEU  10          2HD1      LEU  10   1.263  -2.022  -5.466
  110   2HD1  LEU  10          3HD1      LEU  10  -0.225  -2.867  -4.970
  111   3HD1  LEU  10          1HD1      LEU  10   1.332  -3.279  -4.222
  112   1HD2  LEU  10          3HD2      LEU  10   0.588  -4.435  -8.255
  113   2HD2  LEU  10          1HD2      LEU  10  -0.715  -3.733  -7.282
  114   3HD2  LEU  10          2HD2      LEU  10   0.627  -2.702  -7.822
  115    QB   LEU  10           QB       LEU  10   3.008  -3.725  -6.595
  116    QD1  LEU  10           QD1      LEU  10   0.790  -2.722  -4.886
  117    QD2  LEU  10           QD2      LEU  10   0.166  -3.623  -7.786
  118    QQD  LEU  10           QQD      LEU  10   0.478  -3.173  -6.336
  119    H    ALA  11           H        ALA  11   4.191  -5.748  -8.556
  120    HA   ALA  11           HA       ALA  11   7.001  -5.970  -7.647
  121   1HB   ALA  11          3HB       ALA  11   5.764  -5.417 -10.385
  122   2HB   ALA  11          1HB       ALA  11   7.489  -5.711 -10.075
  123   3HB   ALA  11          2HB       ALA  11   6.309  -7.004  -9.792
  124    QB   ALA  11           QB       ALA  11   6.521  -6.044 -10.084
  125    H    ARG  12           H        ARG  12   8.528  -4.165  -8.128
  126    HA   ARG  12           HA       ARG  12   7.301  -1.617  -7.349
  127   1HB   ARG  12          1HB       ARG  12   9.504  -0.807  -6.944
  128   2HB   ARG  12          2HB       ARG  12   9.275  -2.347  -6.142
  129   1HG   ARG  12          1HG       ARG  12  10.606  -2.363  -8.860
  130   2HG   ARG  12          2HG       ARG  12  11.484  -1.682  -7.506
  131   1HD   ARG  12          1HD       ARG  12  11.334  -3.777  -6.270
  132   2HD   ARG  12          2HD       ARG  12  10.368  -4.499  -7.565
  133    HE   ARG  12           HE       ARG  12  12.269  -4.023  -9.102
  134   1HH1  ARG  12          2HH2      ARG  12  13.142  -4.319  -5.596
  135   2HH1  ARG  12          1HH2      ARG  12  14.772  -4.662  -5.973
  136   1HH2  ARG  12          2HH1      ARG  12  14.430  -4.210  -9.476
  137   2HH2  ARG  12          1HH1      ARG  12  15.547  -4.243  -8.160
  138    QB   ARG  12           QB       ARG  12   9.390  -1.577  -6.543
  139    QG   ARG  12           QG       ARG  12  11.045  -2.022  -8.183
  140    QD   ARG  12           QD       ARG  12  10.851  -4.138  -6.918
  141    QH1  ARG  12           QH2      ARG  12  13.957  -4.490  -5.784
  142    QH2  ARG  12           QH1      ARG  12  14.988  -4.227  -8.818
  143    H    GLY  13           H        GLY  13   6.227  -2.024  -9.600
  144   1HA   GLY  13          1HA       GLY  13   6.839   0.118 -11.360
  145   2HA   GLY  13          2HA       GLY  13   7.522  -1.397 -12.009
  146    QA   GLY  13           QA       GLY  13   7.180  -0.639 -11.685
  147    H    ALA  14           H        ALA  14   4.586  -0.348 -10.237
  148    HA   ALA  14           HA       ALA  14   2.898  -2.096 -11.956
  149   1HB   ALA  14          1HB       ALA  14   3.320  -3.154  -9.770
  150   2HB   ALA  14          2HB       ALA  14   2.738  -1.691  -8.935
  151   3HB   ALA  14          3HB       ALA  14   1.636  -2.660  -9.931
  152    QB   ALA  14           QB       ALA  14   2.565  -2.502  -9.546
  153    H    SER  15           H        SER  15   1.038  -1.222 -12.569
  154    HA   SER  15           HA       SER  15   0.956   1.705 -12.589
  155   1HB   SER  15          1HB       SER  15  -0.846   1.229 -14.349
  156   2HB   SER  15          2HB       SER  15   0.792   0.697 -14.703
  157    HG   SER  15           HG       SER  15   0.164  -1.438 -14.021
  158    QB   SER  15           QB       SER  15  -0.027   0.963 -14.526
  159    H    ASP  16           H        ASP  16  -1.356   2.765 -12.677
  160    HA   ASP  16           HA       ASP  16  -2.138   2.784 -10.005
  161   1HB   ASP  16          1HB       ASP  16  -3.429   3.878 -12.529
  162   2HB   ASP  16          2HB       ASP  16  -4.259   3.973 -10.978
  163    QB   ASP  16           QB       ASP  16  -3.844   3.926 -11.753
  164    H    GLU  17           H        GLU  17  -3.714   1.250 -12.782
  165    HA   GLU  17           HA       GLU  17  -5.930   0.080 -11.302
  166   1HB   GLU  17          1HB       GLU  17  -6.287   0.851 -13.522
  167   2HB   GLU  17          2HB       GLU  17  -4.865   0.032 -14.140
  168   1HG   GLU  17          1HG       GLU  17  -6.987  -0.944 -14.910
  169   2HG   GLU  17          2HG       GLU  17  -5.916  -2.083 -14.126
  170    QB   GLU  17           QB       GLU  17  -5.576   0.442 -13.831
  171    QG   GLU  17           QG       GLU  17  -6.452  -1.514 -14.518
  172    H    GLU  18           H        GLU  18  -2.693  -0.662 -11.247
  173    HA   GLU  18           HA       GLU  18  -3.074  -3.571 -10.936
  174   1HB   GLU  18          1HB       GLU  18  -1.151  -2.113 -12.195
  175   2HB   GLU  18          2HB       GLU  18  -0.440  -2.171 -10.580
  176   1HG   GLU  18          1HG       GLU  18  -0.546  -4.608 -10.596
  177   2HG   GLU  18          2HG       GLU  18  -1.387  -4.579 -12.163
  178    QB   GLU  18           QB       GLU  18  -0.796  -2.142 -11.387
  179    QG   GLU  18           QG       GLU  18  -0.966  -4.594 -11.380
  180    H    ILE  19           H        ILE  19  -1.896  -0.603  -9.370
  181    HA   ILE  19           HA       ILE  19  -1.453  -1.523  -6.744
  182    HB   ILE  19           HB       ILE  19  -1.942   1.159  -8.055
  183   1HG1  ILE  19          1HG1      ILE  19   0.391  -0.239  -6.682
  184   2HG1  ILE  19          2HG1      ILE  19   0.202   0.037  -8.402
  185   1HG2  ILE  19          1HG2      ILE  19  -1.662   0.662  -5.073
  186   2HG2  ILE  19          2HG2      ILE  19  -1.461   2.259  -5.857
  187   3HG2  ILE  19          3HG2      ILE  19  -3.005   1.447  -5.904
  188   1HD1  ILE  19          2HD1      ILE  19   0.350   2.504  -7.992
  189   2HD1  ILE  19          3HD1      ILE  19   0.716   2.153  -6.281
  190   3HD1  ILE  19          1HD1      ILE  19   1.813   1.588  -7.546
  191    QG1  ILE  19           QG1      ILE  19   0.296  -0.101  -7.542
  192    QG2  ILE  19           QG2      ILE  19  -2.043   1.456  -5.611
  193    QD1  ILE  19           QD1      ILE  19   0.960   2.082  -7.273
  194    H    LYS  20           H        LYS  20  -4.342   0.180  -8.098
  195    HA   LYS  20           HA       LYS  20  -5.904  -0.081  -5.746
  196   1HB   LYS  20          1HB       LYS  20  -6.384   1.476  -7.561
  197   2HB   LYS  20          2HB       LYS  20  -6.746   0.138  -8.663
  198   1HG   LYS  20          1HG       LYS  20  -8.726  -0.473  -7.387
  199   2HG   LYS  20          2HG       LYS  20  -8.250   0.580  -6.050
  200   1HD   LYS  20          1HD       LYS  20 -10.042   1.614  -7.333
  201   2HD   LYS  20          2HD       LYS  20  -8.554   2.564  -7.417
  202   1HE   LYS  20          1HE       LYS  20  -8.062   1.562  -9.658
  203   2HE   LYS  20          2HE       LYS  20  -9.603   0.683  -9.594
  204   1HZ   LYS  20          3HZ       LYS  20  -9.367   3.614  -9.347
  205   2HZ   LYS  20          1HZ       LYS  20  -9.610   2.907 -10.787
  206   3HZ   LYS  20          2HZ       LYS  20 -10.756   2.763  -9.611
  207    QB   LYS  20           QB       LYS  20  -6.565   0.807  -8.112
  208    QG   LYS  20           QG       LYS  20  -8.488   0.053  -6.719
  209    QD   LYS  20           QD       LYS  20  -9.298   2.089  -7.375
  210    QE   LYS  20           QE       LYS  20  -8.832   1.123  -9.626
  211    QZ   LYS  20           QZ       LYS  20  -9.911   3.095  -9.915
  212    H    ARG  21           H        ARG  21  -5.594  -2.231  -8.564
  213    HA   ARG  21           HA       ARG  21  -7.401  -4.233  -7.975
  214   1HB   ARG  21          1HB       ARG  21  -5.274  -3.900  -9.746
  215   2HB   ARG  21          2HB       ARG  21  -4.688  -5.188  -8.750
  216   1HG   ARG  21          1HG       ARG  21  -5.661  -6.340 -10.418
  217   2HG   ARG  21          2HG       ARG  21  -6.948  -6.368  -9.206
  218   1HD   ARG  21          1HD       ARG  21  -8.336  -5.031 -10.478
  219   2HD   ARG  21          2HD       ARG  21  -7.029  -4.044 -11.106
  220    HE   ARG  21           HE       ARG  21  -8.021  -6.595 -12.150
  221   1HH1  ARG  21          2HH2      ARG  21  -5.692  -3.934 -12.588
  222   2HH1  ARG  21          1HH2      ARG  21  -5.225  -4.440 -14.175
  223   1HH2  ARG  21          2HH1      ARG  21  -7.380  -7.236 -14.233
  224   2HH2  ARG  21          1HH1      ARG  21  -6.020  -6.520 -15.004
  225    QB   ARG  21           QB       ARG  21  -4.981  -4.544  -9.248
  226    QG   ARG  21           QG       ARG  21  -6.304  -6.354  -9.812
  227    QD   ARG  21           QD       ARG  21  -7.682  -4.538 -10.792
  228    QH1  ARG  21           QH2      ARG  21  -5.459  -4.187 -13.382
  229    QH2  ARG  21           QH1      ARG  21  -6.700  -6.878 -14.619
  230    H    ALA  22           H        ALA  22  -4.028  -3.953  -6.761
  231    HA   ALA  22           HA       ALA  22  -4.147  -6.231  -5.054
  232   1HB   ALA  22          1HB       ALA  22  -2.019  -5.221  -5.760
  233   2HB   ALA  22          2HB       ALA  22  -2.380  -3.767  -4.805
  234   3HB   ALA  22          3HB       ALA  22  -2.136  -5.326  -3.998
  235    QB   ALA  22           QB       ALA  22  -2.178  -4.771  -4.854
  236    H    TYR  23           H        TYR  23  -4.658  -2.659  -4.280
  237    HA   TYR  23           HA       TYR  23  -4.948  -3.108  -1.548
  238   1HB   TYR  23          1HB       TYR  23  -4.501  -0.968  -1.901
  239   2HB   TYR  23          2HB       TYR  23  -4.912  -1.017  -3.580
  240    HD1  TYR  23          1HD       TYR  23  -7.728  -1.019  -3.884
  241    HD2  TYR  23          2HD       TYR  23  -5.211   1.018  -1.006
  242    HE1  TYR  23          1HE       TYR  23  -9.274   0.857  -3.889
  243    HE2  TYR  23          2HE       TYR  23  -6.786   2.919  -1.021
  244    HH   TYR  23           HH       TYR  23  -9.359   3.209  -3.392
  245    QB   TYR  23           QB       TYR  23  -4.706  -0.993  -2.741
  246    QG   TYR  23           QD       TYR  23  -6.470  -0.001  -2.445
  247    QZ   TYR  23           QE       TYR  23  -8.030   1.888  -2.455
  248    QR   TYR  23           QR       TYR  23  -7.250   0.943  -2.450
  249    H    ARG  24           H        ARG  24  -7.517  -3.187  -4.105
  250    HA   ARG  24           HA       ARG  24  -9.581  -3.486  -2.062
  251   1HB   ARG  24          1HB       ARG  24 -11.131  -3.734  -3.807
  252   2HB   ARG  24          2HB       ARG  24 -10.004  -2.487  -4.296
  253   1HG   ARG  24          1HG       ARG  24  -9.515  -3.569  -6.188
  254   2HG   ARG  24          2HG       ARG  24  -9.011  -5.006  -5.316
  255   1HD   ARG  24          1HD       ARG  24 -11.861  -4.364  -6.179
  256   2HD   ARG  24          2HD       ARG  24 -10.775  -5.526  -6.939
  257    HE   ARG  24           HE       ARG  24 -11.088  -6.138  -4.156
  258   1HH1  ARG  24          2HH2      ARG  24 -13.109  -6.152  -7.095
  259   2HH1  ARG  24          1HH2      ARG  24 -14.159  -7.393  -6.473
  260   1HH2  ARG  24          2HH1      ARG  24 -12.239  -8.048  -3.577
  261   2HH2  ARG  24          1HH1      ARG  24 -13.611  -8.540  -4.488
  262    QB   ARG  24           QB       ARG  24 -10.568  -3.110  -4.052
  263    QG   ARG  24           QG       ARG  24  -9.263  -4.287  -5.752
  264    QD   ARG  24           QD       ARG  24 -11.318  -4.945  -6.559
  265    QH1  ARG  24           QH2      ARG  24 -13.634  -6.773  -6.784
  266    QH2  ARG  24           QH1      ARG  24 -12.925  -8.294  -4.033
  267    H    ARG  25           H        ARG  25  -7.230  -5.715  -3.035
  268    HA   ARG  25           HA       ARG  25  -8.931  -7.874  -1.890
  269   1HB   ARG  25          1HB       ARG  25  -7.865  -9.545  -3.248
  270   2HB   ARG  25          2HB       ARG  25  -8.579  -8.299  -4.262
  271   1HG   ARG  25          1HG       ARG  25  -6.625  -8.717  -5.358
  272   2HG   ARG  25          2HG       ARG  25  -6.219  -7.296  -4.418
  273   1HD   ARG  25          1HD       ARG  25  -5.018  -8.690  -2.772
  274   2HD   ARG  25          2HD       ARG  25  -5.483 -10.143  -3.674
  275    HE   ARG  25           HE       ARG  25  -4.288  -8.533  -5.572
  276   1HH1  ARG  25          2HH2      ARG  25  -3.113  -9.851  -2.447
  277   2HH1  ARG  25          1HH2      ARG  25  -1.554 -10.201  -3.088
  278   1HH2  ARG  25          2HH1      ARG  25  -2.214  -8.698  -6.257
  279   2HH2  ARG  25          1HH1      ARG  25  -0.956  -9.398  -5.287
  280    QB   ARG  25           QB       ARG  25  -8.222  -8.922  -3.755
  281    QG   ARG  25           QG       ARG  25  -6.422  -8.006  -4.888
  282    QD   ARG  25           QD       ARG  25  -5.251  -9.417  -3.223
  283    QH1  ARG  25           QH2      ARG  25  -2.333 -10.026  -2.767
  284    QH2  ARG  25           QH1      ARG  25  -1.585  -9.048  -5.772
  285    H    GLN  26           H        GLN  26  -6.272  -5.887  -1.307
  286    HA   GLN  26           HA       GLN  26  -5.066  -7.826   0.568
  287   1HB   GLN  26          1HB       GLN  26  -4.408  -5.074  -0.536
  288   2HB   GLN  26          2HB       GLN  26  -3.504  -5.753   0.761
  289   1HG   GLN  26          1HG       GLN  26  -3.811  -6.997  -2.011
  290   2HG   GLN  26          2HG       GLN  26  -2.445  -6.063  -1.456
  291   1HE2  GLN  26          2HE2      GLN  26  -0.804  -8.980  -0.324
  292   2HE2  GLN  26          1HE2      GLN  26  -0.726  -7.332  -0.929
  293    QB   GLN  26           QB       GLN  26  -3.956  -5.414   0.112
  294    QG   GLN  26           QG       GLN  26  -3.128  -6.530  -1.733
  295    QE2  GLN  26           QE2      GLN  26  -0.765  -8.156  -0.627
  296    H    ALA  27           H        ALA  27  -6.867  -4.651   0.691
  297    HA   ALA  27           HA       ALA  27  -6.722  -4.622   3.609
  298   1HB   ALA  27          3HB       ALA  27  -8.511  -3.203   1.610
  299   2HB   ALA  27          1HB       ALA  27  -8.749  -3.083   3.361
  300   3HB   ALA  27          2HB       ALA  27  -7.228  -2.531   2.673
  301    QB   ALA  27           QB       ALA  27  -8.163  -2.939   2.548
  302    H    LEU  28           H        LEU  28  -9.388  -5.330   1.330
  303    HA   LEU  28           HA       LEU  28 -11.230  -6.385   2.929
  304   1HB   LEU  28          1HB       LEU  28 -11.267  -5.970   0.427
  305   2HB   LEU  28          2HB       LEU  28 -10.538  -7.562   0.219
  306    HG   LEU  28           HG       LEU  28 -12.539  -8.615   1.263
  307   1HD1  LEU  28          3HD1      LEU  28 -13.574  -5.742   1.387
  308   2HD1  LEU  28          1HD1      LEU  28 -14.595  -7.190   1.567
  309   3HD1  LEU  28          2HD1      LEU  28 -13.336  -6.849   2.764
  310   1HD2  LEU  28          3HD2      LEU  28 -12.435  -8.239  -1.186
  311   2HD2  LEU  28          1HD2      LEU  28 -14.093  -8.136  -0.583
  312   3HD2  LEU  28          2HD2      LEU  28 -13.199  -6.654  -0.987
  313    QB   LEU  28           QB       LEU  28 -10.903  -6.766   0.323
  314    QD1  LEU  28           QD1      LEU  28 -13.835  -6.594   1.906
  315    QD2  LEU  28           QD2      LEU  28 -13.242  -7.676  -0.919
  316    QQD  LEU  28           QQD      LEU  28 -13.539  -7.135   0.494
  317    H    ARG  29           H        ARG  29  -8.300  -7.956   2.081
  318    HA   ARG  29           HA       ARG  29  -8.740 -10.671   2.638
  319   1HB   ARG  29          1HB       ARG  29  -6.773  -9.217   1.589
  320   2HB   ARG  29          2HB       ARG  29  -6.110  -9.257   3.200
  321   1HG   ARG  29          1HG       ARG  29  -6.038 -11.698   3.137
  322   2HG   ARG  29          2HG       ARG  29  -6.951 -11.717   1.619
  323   1HD   ARG  29          1HD       ARG  29  -5.125 -10.460   0.487
  324   2HD   ARG  29          2HD       ARG  29  -4.190 -10.456   1.982
  325    HE   ARG  29           HE       ARG  29  -3.598 -12.633   1.651
  326   1HH1  ARG  29          2HH2      ARG  29  -6.248 -11.870  -0.567
  327   2HH1  ARG  29          1HH2      ARG  29  -6.344 -13.472  -1.245
  328   1HH2  ARG  29          2HH1      ARG  29  -3.588 -14.675   0.661
  329   2HH2  ARG  29          1HH1      ARG  29  -4.743 -15.087  -0.573
  330    QB   ARG  29           QB       ARG  29  -6.441  -9.237   2.394
  331    QG   ARG  29           QG       ARG  29  -6.494 -11.708   2.378
  332    QD   ARG  29           QD       ARG  29  -4.658 -10.458   1.235
  333    QH1  ARG  29           QH2      ARG  29  -6.296 -12.671  -0.906
  334    QH2  ARG  29           QH1      ARG  29  -4.166 -14.881   0.044
  335    H    TYR  30           H        TYR  30  -7.740  -7.982   4.798
  336    HA   TYR  30           HA       TYR  30  -8.119  -9.738   7.184
  337   1HB   TYR  30          1HB       TYR  30  -5.903  -7.680   6.828
  338   2HB   TYR  30          2HB       TYR  30  -6.092  -8.843   8.134
  339    HD1  TYR  30          2HD       TYR  30  -6.324 -11.415   7.169
  340    HD2  TYR  30          1HD       TYR  30  -4.221  -8.187   5.269
  341    HE1  TYR  30          2HE       TYR  30  -5.023 -13.045   5.892
  342    HE2  TYR  30          1HE       TYR  30  -2.877  -9.816   3.961
  343    HH   TYR  30           HH       TYR  30  -3.599 -13.356   4.194
  344    QB   TYR  30           QB       TYR  30  -5.997  -8.262   7.481
  345    QG   TYR  30           QD       TYR  30  -5.272  -9.801   6.219
  346    QZ   TYR  30           QE       TYR  30  -3.950 -11.430   4.926
  347    QR   TYR  30           QR       TYR  30  -4.611 -10.616   5.573
  348    H    HIS  31           H        HIS  31  -9.662  -7.509   5.733
  349    HA   HIS  31           HA       HIS  31  -9.703  -5.145   7.196
  350   1HB   HIS  31          1HB       HIS  31 -11.113  -6.313   5.049
  351   2HB   HIS  31          2HB       HIS  31 -12.356  -6.134   6.251
  352    HD1  HIS  31          1HD       HIS  31  -9.837  -3.246   6.132
  353    HD2  HIS  31          2HD       HIS  31 -13.535  -4.449   4.496
  354    HE1  HIS  31          1HE       HIS  31 -10.816  -1.213   5.018
  355    QB   HIS  31           QB       HIS  31 -11.734  -6.223   5.650
  356    HA   PRO  32           HA       PRO  32 -11.457  -6.777  11.032
  357   1HB   PRO  32          1HB       PRO  32 -12.314  -4.461  12.241
  358   2HB   PRO  32          2HB       PRO  32 -10.590  -4.938  12.118
  359   1HG   PRO  32          1HG       PRO  32 -12.130  -3.093  10.276
  360   2HG   PRO  32          2HG       PRO  32 -10.548  -2.775  11.071
  361   1HD   PRO  32          1HD       PRO  32 -10.719  -3.646   8.520
  362   2HD   PRO  32          2HD       PRO  32  -9.438  -4.268   9.598
  363    QB   PRO  32           QB       PRO  32 -11.452  -4.699  12.179
  364    QG   PRO  32           QG       PRO  32 -11.339  -2.934  10.673
  365    QD   PRO  32           QD       PRO  32 -10.079  -3.957   9.059
  366    H    ASP  33           H        ASP  33 -13.113  -5.085   8.592
  367    HA   ASP  33           HA       ASP  33 -15.867  -5.394   9.422
  368   1HB   ASP  33          1HB       ASP  33 -15.205  -3.529   8.070
  369   2HB   ASP  33          2HB       ASP  33 -14.273  -4.540   6.975
  370    QB   ASP  33           QB       ASP  33 -14.739  -4.035   7.523
  371    H    LYS  34           H        LYS  34 -13.519  -7.542   7.900
  372    HA   LYS  34           HA       LYS  34 -15.743  -9.214   6.758
  373   1HB   LYS  34          1HB       LYS  34 -15.034  -7.732   4.957
  374   2HB   LYS  34          2HB       LYS  34 -13.352  -8.013   5.336
  375   1HG   LYS  34          1HG       LYS  34 -13.733  -9.193   3.331
  376   2HG   LYS  34          2HG       LYS  34 -13.530 -10.397   4.589
  377   1HD   LYS  34          1HD       LYS  34 -15.440 -11.103   3.320
  378   2HD   LYS  34          2HD       LYS  34 -16.092 -10.399   4.805
  379   1HE   LYS  34          1HE       LYS  34 -16.124  -8.167   3.293
  380   2HE   LYS  34          2HE       LYS  34 -16.166  -9.351   1.972
  381   1HZ   LYS  34          2HZ       LYS  34 -18.147 -10.297   3.104
  382   2HZ   LYS  34          3HZ       LYS  34 -18.055  -9.106   4.230
  383   3HZ   LYS  34          1HZ       LYS  34 -18.365  -8.712   2.672
  384    QB   LYS  34           QB       LYS  34 -14.193  -7.872   5.146
  385    QG   LYS  34           QG       LYS  34 -13.632  -9.795   3.960
  386    QD   LYS  34           QD       LYS  34 -15.766 -10.751   4.063
  387    QE   LYS  34           QE       LYS  34 -16.145  -8.759   2.633
  388    QZ   LYS  34           QZ       LYS  34 -18.189  -9.372   3.335
  389    H    ASN  35           H        ASN  35 -12.476  -9.046   8.160
  390    HA   ASN  35           HA       ASN  35 -12.558 -11.829   8.867
  391   1HB   ASN  35          1HB       ASN  35 -11.640 -12.067   6.577
  392   2HB   ASN  35          2HB       ASN  35 -10.405 -10.845   6.939
  393   1HD2  ASN  35          2HD2      ASN  35  -8.474 -13.811   7.447
  394   2HD2  ASN  35          1HD2      ASN  35  -8.746 -12.453   6.383
  395    QB   ASN  35           QB       ASN  35 -11.023 -11.456   6.758
  396    QD2  ASN  35           QD2      ASN  35  -8.610 -13.132   6.915
  397    H    LYS  36           H        LYS  36 -12.162 -11.307  10.990
  398    HA   LYS  36           HA       LYS  36  -9.972  -9.411  11.704
  399   1HB   LYS  36          1HB       LYS  36 -12.128 -10.819  13.206
  400   2HB   LYS  36          2HB       LYS  36 -10.692 -10.341  14.078
  401   1HG   LYS  36          1HG       LYS  36 -12.473  -8.424  12.521
  402   2HG   LYS  36          2HG       LYS  36 -12.616  -8.737  14.255
  403   1HD   LYS  36          1HD       LYS  36 -10.122  -7.625  12.926
  404   2HD   LYS  36          2HD       LYS  36 -11.358  -6.655  13.729
  405   1HE   LYS  36          1HE       LYS  36 -10.783  -7.343  15.850
  406   2HE   LYS  36          2HE       LYS  36 -10.142  -8.899  15.322
  407   1HZ   LYS  36          2HZ       LYS  36  -8.762  -6.404  14.638
  408   2HZ   LYS  36          3HZ       LYS  36  -8.509  -7.149  16.057
  409   3HZ   LYS  36          1HZ       LYS  36  -8.188  -7.964  14.642
  410    QB   LYS  36           QB       LYS  36 -11.410 -10.580  13.642
  411    QG   LYS  36           QG       LYS  36 -12.545  -8.580  13.388
  412    QD   LYS  36           QD       LYS  36 -10.740  -7.140  13.328
  413    QE   LYS  36           QE       LYS  36 -10.463  -8.121  15.586
  414    QZ   LYS  36           QZ       LYS  36  -8.486  -7.172  15.112
  415    H    GLU  37           H        GLU  37  -8.559 -10.750  10.445
  416    HA   GLU  37           HA       GLU  37  -8.303 -13.514  10.892
  417   1HB   GLU  37          1HB       GLU  37  -7.604 -11.981   8.934
  418   2HB   GLU  37          2HB       GLU  37  -6.107 -11.781   9.743
  419   1HG   GLU  37          1HG       GLU  37  -7.090 -14.591   9.296
  420   2HG   GLU  37          2HG       GLU  37  -6.546 -13.670   7.908
  421    QB   GLU  37           QB       GLU  37  -6.855 -11.881   9.338
  422    QG   GLU  37           QG       GLU  37  -6.818 -14.130   8.602
  423    HA   PRO  38           HA       PRO  38  -6.425 -13.163  14.836
  424   1HB   PRO  38          1HB       PRO  38  -5.150 -15.605  15.164
  425   2HB   PRO  38          2HB       PRO  38  -6.907 -15.305  15.293
  426   1HG   PRO  38          1HG       PRO  38  -5.364 -16.341  12.900
  427   2HG   PRO  38          2HG       PRO  38  -6.915 -16.936  13.539
  428   1HD   PRO  38          1HD       PRO  38  -6.804 -15.297  11.418
  429   2HD   PRO  38          2HD       PRO  38  -8.103 -15.121  12.631
  430    QB   PRO  38           QB       PRO  38  -6.029 -15.455  15.229
  431    QG   PRO  38           QG       PRO  38  -6.139 -16.639  13.220
  432    QD   PRO  38           QD       PRO  38  -7.454 -15.209  12.024
  433    H    GLY  39           H        GLY  39  -4.823 -11.814  15.307
  434   1HA   GLY  39          1HA       GLY  39  -2.682 -11.106  15.711
  435   2HA   GLY  39          2HA       GLY  39  -2.014 -12.423  14.738
  436    QA   GLY  39           QA       GLY  39  -2.348 -11.765  15.225
  437    H    ALA  40           H        ALA  40  -4.413 -11.063  12.817
  438    HA   ALA  40           HA       ALA  40  -2.415  -9.701  11.200
  439   1HB   ALA  40          3HB       ALA  40  -4.173 -11.120  10.230
  440   2HB   ALA  40          1HB       ALA  40  -5.410  -9.925  10.749
  441   3HB   ALA  40          2HB       ALA  40  -4.173  -9.483   9.557
  442    QB   ALA  40           QB       ALA  40  -4.585 -10.176  10.179
  443    H    GLU  41           H        GLU  41  -3.982  -8.586  13.930
  444    HA   GLU  41           HA       GLU  41  -5.014  -6.075  13.220
  445   1HB   GLU  41          1HB       GLU  41  -4.860  -7.410  15.462
  446   2HB   GLU  41          2HB       GLU  41  -3.330  -6.589  15.711
  447   1HG   GLU  41          1HG       GLU  41  -6.107  -5.390  15.364
  448   2HG   GLU  41          2HG       GLU  41  -5.234  -5.556  16.885
  449    QB   GLU  41           QB       GLU  41  -4.095  -6.999  15.586
  450    QG   GLU  41           QG       GLU  41  -5.671  -5.473  16.124
  451    H    GLU  42           H        GLU  42  -1.672  -7.080  13.922
  452    HA   GLU  42           HA       GLU  42  -0.475  -4.522  13.381
  453   1HB   GLU  42          1HB       GLU  42   0.499  -6.320  14.815
  454   2HB   GLU  42          2HB       GLU  42   0.772  -7.303  13.369
  455   1HG   GLU  42          1HG       GLU  42   2.239  -5.512  12.451
  456   2HG   GLU  42          2HG       GLU  42   1.963  -4.540  13.902
  457    QB   GLU  42           QB       GLU  42   0.636  -6.812  14.092
  458    QG   GLU  42           QG       GLU  42   2.101  -5.026  13.177
  459    H    LYS  43           H        LYS  43  -0.840  -7.496  11.437
  460    HA   LYS  43           HA       LYS  43   0.598  -6.548   9.253
  461   1HB   LYS  43          1HB       LYS  43  -0.797  -8.910   9.786
  462   2HB   LYS  43          2HB       LYS  43  -1.657  -8.287   8.404
  463   1HG   LYS  43          1HG       LYS  43   1.320  -8.857   8.571
  464   2HG   LYS  43          2HG       LYS  43   0.126  -9.767   7.644
  465   1HD   LYS  43          1HD       LYS  43  -0.232  -7.726   6.202
  466   2HD   LYS  43          2HD       LYS  43   1.036  -6.904   7.133
  467   1HE   LYS  43          1HE       LYS  43   2.609  -8.791   6.470
  468   2HE   LYS  43          2HE       LYS  43   1.373  -9.297   5.312
  469   1HZ   LYS  43          3HZ       LYS  43   1.536  -7.032   4.346
  470   2HZ   LYS  43          1HZ       LYS  43   2.793  -6.697   5.369
  471   3HZ   LYS  43          2HZ       LYS  43   2.935  -7.872   4.237
  472    QB   LYS  43           QB       LYS  43  -1.227  -8.599   9.095
  473    QG   LYS  43           QG       LYS  43   0.723  -9.312   8.107
  474    QD   LYS  43           QD       LYS  43   0.402  -7.315   6.668
  475    QE   LYS  43           QE       LYS  43   1.991  -9.044   5.891
  476    QZ   LYS  43           QZ       LYS  43   2.421  -7.200   4.651
  477    H    PHE  44           H        PHE  44  -2.798  -6.193  10.041
  478    HA   PHE  44           HA       PHE  44  -3.647  -4.979   7.597
  479   1HB   PHE  44          1HB       PHE  44  -5.184  -5.878   9.352
  480   2HB   PHE  44          2HB       PHE  44  -4.772  -4.521  10.388
  481    HD1  PHE  44          1HD       PHE  44  -6.159  -5.359   7.002
  482    HD2  PHE  44          2HD       PHE  44  -5.993  -2.436  10.175
  483    HE1  PHE  44          1HE       PHE  44  -7.839  -3.994   5.824
  484    HE2  PHE  44          2HE       PHE  44  -7.739  -1.113   9.026
  485   1HZ   PHE  44           HZ       PHE  44  -8.632  -1.827   6.849
  486    QB   PHE  44           QB       PHE  44  -4.978  -5.200   9.870
  487    QG   PHE  44           QD       PHE  44  -6.076  -3.897   8.589
  488    QZ   PHE  44           QE       PHE  44  -7.789  -2.554   7.425
  489    QZ   PHE  44           QR       PHE  44  -7.272  -2.946   7.775
  490    H    LYS  45           H        LYS  45  -2.383  -3.538  10.652
  491    HA   LYS  45           HA       LYS  45  -2.364  -0.827   9.728
  492   1HB   LYS  45          1HB       LYS  45  -0.669  -2.292  11.777
  493   2HB   LYS  45          2HB       LYS  45  -0.460  -0.581  11.421
  494   1HG   LYS  45          1HG       LYS  45  -2.652  -0.020  12.145
  495   2HG   LYS  45          2HG       LYS  45  -3.137  -1.727  12.279
  496   1HD   LYS  45          1HD       LYS  45  -1.708  -2.125  14.132
  497   2HD   LYS  45          2HD       LYS  45  -0.763  -0.661  13.844
  498   1HE   LYS  45          1HE       LYS  45  -2.222  -0.418  15.791
  499   2HE   LYS  45          2HE       LYS  45  -2.568   0.773  14.532
  500   1HZ   LYS  45          2HZ       LYS  45  -4.132  -1.707  14.971
  501   2HZ   LYS  45          3HZ       LYS  45  -4.558  -0.220  15.514
  502   3HZ   LYS  45          1HZ       LYS  45  -4.488  -0.517  13.903
  503    QB   LYS  45           QB       LYS  45  -0.565  -1.437  11.599
  504    QG   LYS  45           QG       LYS  45  -2.895  -0.873  12.212
  505    QD   LYS  45           QD       LYS  45  -1.236  -1.393  13.988
  506    QE   LYS  45           QE       LYS  45  -2.395   0.177  15.162
  507    QZ   LYS  45           QZ       LYS  45  -4.392  -0.815  14.796
  508    H    GLU  46           H        GLU  46   0.119  -3.449   9.350
  509    HA   GLU  46           HA       GLU  46   2.072  -1.837   8.223
  510   1HB   GLU  46          1HB       GLU  46   1.834  -4.354   9.167
  511   2HB   GLU  46          2HB       GLU  46   1.654  -4.770   7.482
  512   1HG   GLU  46          1HG       GLU  46   3.897  -2.946   8.190
  513   2HG   GLU  46          2HG       GLU  46   4.002  -4.555   8.874
  514    QB   GLU  46           QB       GLU  46   1.744  -4.562   8.324
  515    QG   GLU  46           QG       GLU  46   3.949  -3.751   8.532
  516    H    ILE  47           H        ILE  47  -0.465  -3.838   6.759
  517    HA   ILE  47           HA       ILE  47  -0.101  -3.092   4.019
  518    HB   ILE  47           HB       ILE  47  -2.492  -4.041   5.618
  519   1HG1  ILE  47          1HG1      ILE  47  -0.860  -5.163   3.286
  520   2HG1  ILE  47          2HG1      ILE  47  -0.752  -5.652   4.976
  521   1HG2  ILE  47          3HG2      ILE  47  -2.580  -3.237   2.683
  522   2HG2  ILE  47          1HG2      ILE  47  -3.871  -4.097   3.559
  523   3HG2  ILE  47          2HG2      ILE  47  -3.475  -2.459   4.004
  524   1HD1  ILE  47          3HD1      ILE  47  -3.226  -6.300   4.813
  525   2HD1  ILE  47          1HD1      ILE  47  -3.043  -6.134   3.054
  526   3HD1  ILE  47          2HD1      ILE  47  -2.065  -7.321   3.917
  527    QG1  ILE  47           QG1      ILE  47  -0.806  -5.407   4.131
  528    QG2  ILE  47           QG2      ILE  47  -3.309  -3.265   3.415
  529    QD1  ILE  47           QD1      ILE  47  -2.778  -6.585   3.928
  530    H    ALA  48           H        ALA  48  -2.114  -1.534   6.615
  531    HA   ALA  48           HA       ALA  48  -3.254   0.401   4.973
  532   1HB   ALA  48          2HB       ALA  48  -4.074  -0.188   7.213
  533   2HB   ALA  48          3HB       ALA  48  -2.660   0.609   7.945
  534   3HB   ALA  48          1HB       ALA  48  -3.842   1.556   7.029
  535    QB   ALA  48           QB       ALA  48  -3.525   0.659   7.395
  536    H    GLU  49           H        GLU  49  -0.100   0.364   6.541
  537    HA   GLU  49           HA       GLU  49   0.550   3.150   6.180
  538   1HB   GLU  49          1HB       GLU  49   1.652   1.301   7.670
  539   2HB   GLU  49          2HB       GLU  49   2.616   0.936   6.231
  540   1HG   GLU  49          1HG       GLU  49   3.288   3.368   6.163
  541   2HG   GLU  49          2HG       GLU  49   2.363   3.631   7.650
  542    QB   GLU  49           QB       GLU  49   2.134   1.118   6.950
  543    QG   GLU  49           QG       GLU  49   2.826   3.499   6.906
  544    H    ALA  50           H        ALA  50   1.186   0.202   4.224
  545    HA   ALA  50           HA       ALA  50   2.452   1.642   2.025
  546   1HB   ALA  50          2HB       ALA  50   2.875  -0.734   2.472
  547   2HB   ALA  50          3HB       ALA  50   1.174  -1.125   2.151
  548   3HB   ALA  50          1HB       ALA  50   2.201  -0.499   0.848
  549    QB   ALA  50           QB       ALA  50   2.083  -0.786   1.824
  550    H    TYR  51           H        TYR  51  -0.803   0.673   2.916
  551    HA   TYR  51           HA       TYR  51  -2.211   0.902   0.481
  552   1HB   TYR  51          1HB       TYR  51  -2.838  -0.052   2.859
  553   2HB   TYR  51          2HB       TYR  51  -3.375   1.582   3.209
  554    HD1  TYR  51          1HD       TYR  51  -3.821  -1.455   1.221
  555    HD2  TYR  51          2HD       TYR  51  -5.559   2.310   2.400
  556    HE1  TYR  51          1HE       TYR  51  -6.011  -2.248   0.473
  557    HE2  TYR  51          2HE       TYR  51  -7.773   1.541   1.614
  558    HH   TYR  51           HH       TYR  51  -8.235  -1.620   0.002
  559    QB   TYR  51           QB       TYR  51  -3.107   0.765   3.034
  560    QG   TYR  51           QD       TYR  51  -4.690   0.428   1.811
  561    QZ   TYR  51           QE       TYR  51  -6.892  -0.353   1.044
  562    QR   TYR  51           QR       TYR  51  -5.791   0.037   1.427
  563    H    ASP  52           H        ASP  52  -1.705   3.211   3.184
  564    HA   ASP  52           HA       ASP  52  -3.207   5.342   2.170
  565   1HB   ASP  52          1HB       ASP  52  -2.359   5.285   4.443
  566   2HB   ASP  52          2HB       ASP  52  -0.679   5.408   3.881
  567    QB   ASP  52           QB       ASP  52  -1.519   5.347   4.162
  568    H    VAL  53           H        VAL  53   0.218   4.568   1.841
  569    HA   VAL  53           HA       VAL  53   0.969   6.763   0.222
  570    HB   VAL  53           HB       VAL  53   2.119   3.938   0.510
  571   1HG1  VAL  53          2HG1      VAL  53   3.354   6.465  -0.641
  572   2HG1  VAL  53          3HG1      VAL  53   4.227   4.933  -0.326
  573   3HG1  VAL  53          1HG1      VAL  53   2.946   4.987  -1.538
  574   1HG2  VAL  53          2HG2      VAL  53   2.019   5.535   2.601
  575   2HG2  VAL  53          3HG2      VAL  53   3.494   4.663   2.201
  576   3HG2  VAL  53          1HG2      VAL  53   3.336   6.372   1.762
  577    QG1  VAL  53           QG1      VAL  53   3.509   5.462  -0.835
  578    QG2  VAL  53           QG2      VAL  53   2.949   5.523   2.188
  579    QQG  VAL  53           QQG      VAL  53   3.229   5.493   0.676
  580    H    LEU  54           H        LEU  54   0.324   3.321  -0.737
  581    HA   LEU  54           HA       LEU  54   0.174   4.023  -3.559
  582   1HB   LEU  54          1HB       LEU  54  -0.105   1.422  -2.026
  583   2HB   LEU  54          2HB       LEU  54  -0.289   1.681  -3.737
  584    HG   LEU  54           HG       LEU  54   2.032   2.600  -3.889
  585   1HD1  LEU  54          1HD1      LEU  54   2.528   2.771  -1.446
  586   2HD1  LEU  54          2HD1      LEU  54   2.347   1.021  -1.309
  587   3HD1  LEU  54          3HD1      LEU  54   3.661   1.715  -2.291
  588   1HD2  LEU  54          2HD2      LEU  54   1.304   0.388  -4.762
  589   2HD2  LEU  54          3HD2      LEU  54   2.974   0.372  -4.196
  590   3HD2  LEU  54          1HD2      LEU  54   1.686  -0.352  -3.198
  591    QB   LEU  54           QB       LEU  54  -0.197   1.551  -2.882
  592    QD1  LEU  54           QD1      LEU  54   2.845   1.836  -1.682
  593    QD2  LEU  54           QD2      LEU  54   1.988   0.136  -4.052
  594    QQD  LEU  54           QQD      LEU  54   2.417   0.986  -2.867
  595    H    SER  55           H        SER  55  -1.633   5.510  -2.092
  596    HA   SER  55           HA       SER  55  -3.706   5.067  -3.967
  597   1HB   SER  55          1HB       SER  55  -5.638   5.200  -2.464
  598   2HB   SER  55          2HB       SER  55  -4.708   3.716  -2.269
  599    HG   SER  55           HG       SER  55  -3.786   4.469  -0.424
  600    QB   SER  55           QB       SER  55  -5.173   4.458  -2.367
  601    H    ASP  56           H        ASP  56  -2.247   7.184  -1.374
  602    HA   ASP  56           HA       ASP  56  -3.960   9.382  -2.413
  603   1HB   ASP  56          1HB       ASP  56  -4.206   8.840  -0.079
  604   2HB   ASP  56          2HB       ASP  56  -2.482   8.997   0.192
  605    QB   ASP  56           QB       ASP  56  -3.344   8.918   0.056
  606    HA   PRO  57           HA       PRO  57  -0.065  11.068  -4.023
  607   1HB   PRO  57          1HB       PRO  57  -0.990  13.197  -5.415
  608   2HB   PRO  57          2HB       PRO  57  -1.362  11.535  -5.910
  609   1HG   PRO  57          1HG       PRO  57  -3.102  13.353  -4.218
  610   2HG   PRO  57          2HG       PRO  57  -3.555  12.478  -5.716
  611   1HD   PRO  57          1HD       PRO  57  -4.062  11.427  -3.266
  612   2HD   PRO  57          2HD       PRO  57  -3.544  10.381  -4.605
  613    QB   PRO  57           QB       PRO  57  -1.176  12.366  -5.663
  614    QG   PRO  57           QG       PRO  57  -3.328  12.916  -4.967
  615    QD   PRO  57           QD       PRO  57  -3.803  10.904  -3.935
  616    H    ARG  58           H        ARG  58  -0.517  11.459  -1.291
  617    HA   ARG  58           HA       ARG  58   0.845  14.095  -1.050
  618   1HB   ARG  58          1HB       ARG  58  -0.997  12.944   1.097
  619   2HB   ARG  58          2HB       ARG  58   0.168  14.230   1.310
  620   1HG   ARG  58          1HG       ARG  58  -1.748  15.411   1.052
  621   2HG   ARG  58          2HG       ARG  58  -1.029  15.508  -0.560
  622   1HD   ARG  58          1HD       ARG  58  -2.553  13.548  -1.197
  623   2HD   ARG  58          2HD       ARG  58  -3.321  13.738   0.374
  624    HE   ARG  58           HE       ARG  58  -3.513  16.242  -0.612
  625   1HH1  ARG  58          2HH2      ARG  58  -4.637  13.032  -1.618
  626   2HH1  ARG  58          1HH2      ARG  58  -5.651  13.601  -2.910
  627   1HH2  ARG  58          2HH1      ARG  58  -4.950  17.049  -2.256
  628   2HH2  ARG  58          1HH1      ARG  58  -5.853  15.941  -3.247
  629    QB   ARG  58           QB       ARG  58  -0.414  13.587   1.204
  630    QG   ARG  58           QG       ARG  58  -1.389  15.459   0.246
  631    QD   ARG  58           QD       ARG  58  -2.937  13.643  -0.411
  632    QH1  ARG  58           QH2      ARG  58  -5.144  13.317  -2.264
  633    QH2  ARG  58           QH1      ARG  58  -5.402  16.495  -2.752
  634    H    LYS  59           H        LYS  59   0.414  10.833   0.664
  635    HA   LYS  59           HA       LYS  59   3.197  11.083   1.471
  636   1HB   LYS  59          1HB       LYS  59   1.280   9.445   2.346
  637   2HB   LYS  59          2HB       LYS  59   1.974   8.345   1.181
  638   1HG   LYS  59          1HG       LYS  59   3.194   9.611   3.612
  639   2HG   LYS  59          2HG       LYS  59   2.859   7.934   3.371
  640   1HD   LYS  59          1HD       LYS  59   5.111   7.854   3.126
  641   2HD   LYS  59          2HD       LYS  59   4.731   8.208   1.455
  642   1HE   LYS  59          1HE       LYS  59   6.546   9.639   2.151
  643   2HE   LYS  59          2HE       LYS  59   5.138  10.663   1.936
  644   1HZ   LYS  59          2HZ       LYS  59   6.005   9.661   4.608
  645   2HZ   LYS  59          3HZ       LYS  59   6.472  11.067   3.983
  646   3HZ   LYS  59          1HZ       LYS  59   4.895  10.825   4.299
  647    QB   LYS  59           QB       LYS  59   1.627   8.895   1.763
  648    QG   LYS  59           QG       LYS  59   3.027   8.772   3.492
  649    QD   LYS  59           QD       LYS  59   4.921   8.031   2.290
  650    QE   LYS  59           QE       LYS  59   5.842  10.151   2.044
  651    QZ   LYS  59           QZ       LYS  59   5.791  10.518   4.297
  652    H    ARG  60           H        ARG  60   1.544   9.277  -1.282
  653    HA   ARG  60           HA       ARG  60   3.937   8.239  -2.142
  654   1HB   ARG  60          1HB       ARG  60   1.316   7.971  -2.912
  655   2HB   ARG  60          2HB       ARG  60   1.917   8.902  -4.275
  656   1HG   ARG  60          1HG       ARG  60   3.701   7.330  -4.689
  657   2HG   ARG  60          2HG       ARG  60   3.396   6.537  -3.131
  658   1HD   ARG  60          1HD       ARG  60   1.516   5.440  -3.865
  659   2HD   ARG  60          2HD       ARG  60   1.317   6.469  -5.293
  660    HE   ARG  60           HE       ARG  60   3.638   4.590  -4.876
  661   1HH1  ARG  60          2HH2      ARG  60   1.059   5.535  -7.126
  662   2HH1  ARG  60          1HH2      ARG  60   2.026   5.347  -8.528
  663   1HH2  ARG  60          2HH1      ARG  60   4.887   4.233  -6.691
  664   2HH2  ARG  60          1HH1      ARG  60   4.329   4.763  -8.251
  665    QB   ARG  60           QB       ARG  60   1.616   8.437  -3.593
  666    QG   ARG  60           QG       ARG  60   3.548   6.934  -3.910
  667    QD   ARG  60           QD       ARG  60   1.416   5.954  -4.579
  668    QH1  ARG  60           QH2      ARG  60   1.543   5.441  -7.827
  669    QH2  ARG  60           QH1      ARG  60   4.608   4.498  -7.471
  670    H    GLU  61           H        GLU  61   3.010  11.582  -2.473
  671    HA   GLU  61           HA       GLU  61   3.921  12.201  -4.962
  672   1HB   GLU  61          1HB       GLU  61   2.835  13.621  -3.123
  673   2HB   GLU  61          2HB       GLU  61   4.427  13.869  -2.429
  674   1HG   GLU  61          1HG       GLU  61   3.593  14.651  -5.259
  675   2HG   GLU  61          2HG       GLU  61   3.482  15.719  -3.871
  676    QB   GLU  61           QB       GLU  61   3.631  13.745  -2.776
  677    QG   GLU  61           QG       GLU  61   3.538  15.185  -4.565
  678    H    ILE  62           H        ILE  62   5.999  11.946  -2.041
  679    HA   ILE  62           HA       ILE  62   8.377  12.652  -3.476
  680    HB   ILE  62           HB       ILE  62   8.053  11.176  -0.824
  681   1HG1  ILE  62          1HG1      ILE  62   8.244  14.171  -1.405
  682   2HG1  ILE  62          2HG1      ILE  62   6.811  13.326  -0.850
  683   1HG2  ILE  62          1HG2      ILE  62  10.379  11.062  -1.751
  684   2HG2  ILE  62          2HG2      ILE  62  10.413  12.841  -1.796
  685   3HG2  ILE  62          3HG2      ILE  62  10.296  11.969  -0.252
  686   1HD1  ILE  62          2HD1      ILE  62   7.977  12.709   1.242
  687   2HD1  ILE  62          3HD1      ILE  62   9.342  13.751   0.756
  688   3HD1  ILE  62          1HD1      ILE  62   7.738  14.455   1.018
  689    QG1  ILE  62           QG1      ILE  62   7.527  13.748  -1.127
  690    QG2  ILE  62           QG2      ILE  62  10.363  11.957  -1.266
  691    QD1  ILE  62           QD1      ILE  62   8.352  13.639   1.005
  692    H    PHE  63           H        PHE  63   6.746   9.599  -2.943
  693    HA   PHE  63           HA       PHE  63   9.001   7.864  -3.654
  694   1HB   PHE  63          1HB       PHE  63   6.706   7.574  -2.135
  695   2HB   PHE  63          2HB       PHE  63   6.162   6.872  -3.636
  696    HD1  PHE  63          2HD       PHE  63   8.363   5.255  -4.646
  697    HD2  PHE  63          1HD       PHE  63   7.171   5.955  -0.557
  698    HE1  PHE  63          2HE       PHE  63   9.358   3.111  -3.991
  699    HE2  PHE  63          1HE       PHE  63   8.201   3.786   0.093
  700   1HZ   PHE  63           HZ       PHE  63   9.278   2.357  -1.619
  701    QB   PHE  63           QB       PHE  63   6.434   7.223  -2.886
  702    QG   PHE  63           QD       PHE  63   7.767   5.605  -2.602
  703    QZ   PHE  63           QE       PHE  63   8.779   3.448  -1.949
  704    QZ   PHE  63           QR       PHE  63   8.474   4.093  -2.144
  705    H    ASP  64           H        ASP  64   6.156   9.310  -5.146
  706    HA   ASP  64           HA       ASP  64   6.089   7.867  -7.631
  707   1HB   ASP  64          1HB       ASP  64   4.152   9.093  -6.505
  708   2HB   ASP  64          2HB       ASP  64   4.973  10.596  -6.819
  709    QB   ASP  64           QB       ASP  64   4.562   9.844  -6.662
  710    H    ARG  65           H        ARG  65   7.220  11.077  -6.544
  711    HA   ARG  65           HA       ARG  65   8.270  12.039  -8.975
  712   1HB   ARG  65          1HB       ARG  65   7.791  13.582  -7.285
  713   2HB   ARG  65          2HB       ARG  65   8.615  12.628  -6.076
  714   1HG   ARG  65          1HG       ARG  65   9.784  14.661  -6.446
  715   2HG   ARG  65          2HG       ARG  65  10.811  13.291  -6.854
  716   1HD   ARG  65          1HD       ARG  65  10.781  13.741  -9.115
  717   2HD   ARG  65          2HD       ARG  65   9.181  14.508  -9.069
  718    HE   ARG  65           HE       ARG  65  10.696  16.224  -7.600
  719   1HH1  ARG  65          2HH2      ARG  65  11.334  14.818 -10.807
  720   2HH1  ARG  65          1HH2      ARG  65  11.610  16.342 -11.577
  721   1HH2  ARG  65          2HH1      ARG  65  11.294  18.231  -8.555
  722   2HH2  ARG  65          1HH1      ARG  65  11.868  18.282 -10.184
  723    QB   ARG  65           QB       ARG  65   8.203  13.105  -6.680
  724    QG   ARG  65           QG       ARG  65  10.297  13.976  -6.650
  725    QD   ARG  65           QD       ARG  65   9.981  14.125  -9.092
  726    QH1  ARG  65           QH2      ARG  65  11.472  15.580 -11.192
  727    QH2  ARG  65           QH1      ARG  65  11.581  18.257  -9.369
  728    H    TYR  66           H        TYR  66   9.997  10.599  -6.179
  729    HA   TYR  66           HA       TYR  66  12.460  10.512  -7.821
  730   1HB   TYR  66          1HB       TYR  66  11.967  10.018  -4.878
  731   2HB   TYR  66          2HB       TYR  66  13.542   9.954  -5.656
  732    HD1  TYR  66          1HD       TYR  66  14.123  12.145  -7.169
  733    HD2  TYR  66          2HD       TYR  66  11.423  12.047  -3.803
  734    HE1  TYR  66          1HE       TYR  66  14.535  14.547  -6.764
  735    HE2  TYR  66          2HE       TYR  66  11.843  14.422  -3.386
  736    HH   TYR  66           HH       TYR  66  13.415  16.133  -3.808
  737    QB   TYR  66           QB       TYR  66  12.755   9.986  -5.267
  738    QG   TYR  66           QD       TYR  66  12.773  12.096  -5.486
  739    QZ   TYR  66           QE       TYR  66  13.189  14.484  -5.075
  740    QR   TYR  66           QR       TYR  66  12.981  13.290  -5.281
  741    H    GLY  67           H        GLY  67  10.783   8.217  -5.600
  742   1HA   GLY  67          1HA       GLY  67  10.788   5.759  -6.280
  743   2HA   GLY  67          2HA       GLY  67  12.492   6.045  -6.671
  744    QA   GLY  67           QA       GLY  67  11.640   5.902  -6.476
  745    H    GLU  68           H        GLU  68  12.787   4.337  -4.865
  746    HA   GLU  68           HA       GLU  68  12.184   5.107  -2.173
  747   1HB   GLU  68          1HB       GLU  68  13.515   3.345  -1.421
  748   2HB   GLU  68          2HB       GLU  68  12.547   2.750  -2.738
  749   1HG   GLU  68          1HG       GLU  68  15.398   3.639  -3.316
  750   2HG   GLU  68          2HG       GLU  68  15.169   2.217  -2.322
  751    QB   GLU  68           QB       GLU  68  13.031   3.048  -2.079
  752    QG   GLU  68           QG       GLU  68  15.284   2.928  -2.819
  753    H    GLU  69           H        GLU  69  14.815   6.015  -4.358
  754    HA   GLU  69           HA       GLU  69  16.599   6.924  -2.341
  755   1HB   GLU  69          1HB       GLU  69  17.689   8.212  -3.982
  756   2HB   GLU  69          2HB       GLU  69  17.187   6.715  -4.763
  757   1HG   GLU  69          1HG       GLU  69  15.361   7.855  -5.921
  758   2HG   GLU  69          2HG       GLU  69  15.618   9.331  -4.983
  759    QB   GLU  69           QB       GLU  69  17.438   7.464  -4.373
  760    QG   GLU  69           QG       GLU  69  15.489   8.593  -5.452
  761    H    GLY  70           H        GLY  70  13.535   8.211  -3.329
  762   1HA   GLY  70          1HA       GLY  70  13.954  10.908  -2.200
  763   2HA   GLY  70          2HA       GLY  70  12.460  10.235  -2.854
  764    QA   GLY  70           QA       GLY  70  13.207  10.572  -2.527
  765    H    LEU  71           H        LEU  71  11.764   8.131  -1.643
  766    HA   LEU  71           HA       LEU  71  11.259   9.174   1.052
  767   1HB   LEU  71          1HB       LEU  71   9.450   8.580  -0.575
  768   2HB   LEU  71          2HB       LEU  71   9.833   6.887  -0.336
  769    HG   LEU  71           HG       LEU  71   7.863   7.988   0.922
  770   1HD1  LEU  71          3HD1      LEU  71   8.792   5.730   1.464
  771   2HD1  LEU  71          1HD1      LEU  71   9.755   6.504   2.742
  772   3HD1  LEU  71          2HD1      LEU  71   7.981   6.569   2.792
  773   1HD2  LEU  71          2HD2      LEU  71   9.026   9.993   1.797
  774   2HD2  LEU  71          3HD2      LEU  71   8.299   9.034   3.095
  775   3HD2  LEU  71          1HD2      LEU  71  10.033   8.963   2.831
  776    QB   LEU  71           QB       LEU  71   9.641   7.734  -0.456
  777    QD1  LEU  71           QD1      LEU  71   8.843   6.268   2.333
  778    QD2  LEU  71           QD2      LEU  71   9.119   9.330   2.574
  779    QQD  LEU  71           QQD      LEU  71   8.981   7.799   2.453
  780    H    LYS  72           H        LYS  72  13.535   8.694   1.459
  781    HA   LYS  72           HA       LYS  72  14.036   5.884   2.307
  782   1HB   LYS  72          1HB       LYS  72  15.552   7.431   0.653
  783   2HB   LYS  72          2HB       LYS  72  16.326   7.775   2.201
  784   1HG   LYS  72          1HG       LYS  72  16.677   5.360   2.589
  785   2HG   LYS  72          2HG       LYS  72  15.686   4.962   1.175
  786   1HD   LYS  72          1HD       LYS  72  17.913   4.677   0.456
  787   2HD   LYS  72          2HD       LYS  72  17.343   6.188  -0.266
  788   1HE   LYS  72          1HE       LYS  72  18.421   7.307   1.861
  789   2HE   LYS  72          2HE       LYS  72  19.274   5.761   2.044
  790   1HZ   LYS  72          2HZ       LYS  72  20.122   6.132  -0.262
  791   2HZ   LYS  72          3HZ       LYS  72  19.347   7.585  -0.284
  792   3HZ   LYS  72          1HZ       LYS  72  20.574   7.333   0.741
  793    QB   LYS  72           QB       LYS  72  15.939   7.603   1.427
  794    QG   LYS  72           QG       LYS  72  16.182   5.161   1.882
  795    QD   LYS  72           QD       LYS  72  17.628   5.432   0.095
  796    QE   LYS  72           QE       LYS  72  18.848   6.534   1.953
  797    QZ   LYS  72           QZ       LYS  72  20.014   7.017   0.065
  798    H    GLY  73           H        GLY  73  13.014   8.753   3.628
  799   1HA   GLY  73          1HA       GLY  73  12.440   8.809   5.976
  800   2HA   GLY  73          2HA       GLY  73  14.000   8.047   6.348
  801    QA   GLY  73           QA       GLY  73  13.220   8.428   6.162
  802    H    SER  74           H        SER  74  13.111  10.533   7.395
  803    HA   SER  74           HA       SER  74  13.528  12.676   7.662
  804   1HB   SER  74          1HB       SER  74  15.747  13.438   7.669
  805   2HB   SER  74          2HB       SER  74  15.744  11.747   8.156
  806    HG   SER  74           HG       SER  74  16.145  11.463   5.717
  807    QB   SER  74           QB       SER  74  15.745  12.592   7.913
  808    H    GLY  75           H        GLY  75  14.638  14.763   6.415
  809   1HA   GLY  75          1HA       GLY  75  14.698  16.122   4.585
  810   2HA   GLY  75          2HA       GLY  75  13.995  14.860   3.567
  811    QA   GLY  75           QA       GLY  75  14.347  15.491   4.076
  812    H    CYS  76           H        CYS  76  12.968  17.159   3.029
  813    HA   CYS  76           HA       CYS  76  10.360  17.403   4.377
  814   1HB   CYS  76          1HB       CYS  76  12.221  19.753   3.763
  815   2HB   CYS  76          2HB       CYS  76  10.644  19.824   4.546
  816    HG   CYS  76           HG       CYS  76  12.594  20.309   6.226
  817    QB   CYS  76           QB       CYS  76  11.432  19.788   4.155
   
  No H/Q in entry =         817
  Start of MODEL    3
    1    H    MET   0           H        MET   0  16.163   4.140   4.003
    2    HA   MET   0           HA       MET   0  14.389   3.569   2.488
    3   1HB   MET   0          1HB       MET   0  15.979   3.489   0.524
    4   2HB   MET   0          2HB       MET   0  16.420   1.850   1.011
    5   1HG   MET   0          1HG       MET   0  13.953   1.253   0.860
    6   2HG   MET   0          2HG       MET   0  13.656   2.868   0.213
    7   1HE   MET   0          3HE       MET   0  14.442   3.709  -2.151
    8   2HE   MET   0          1HE       MET   0  16.152   3.369  -1.817
    9   3HE   MET   0          2HE       MET   0  15.397   2.750  -3.298
   10    QB   MET   0           QB       MET   0  16.199   2.670   0.767
   11    QG   MET   0           QG       MET   0  13.805   2.060   0.537
   12    QE   MET   0           QE       MET   0  15.330   3.276  -2.422
   13    H    GLY   1           H        GLY   1  15.877   0.355   2.307
   14   1HA   GLY   1          1HA       GLY   1  15.705  -1.414   3.687
   15   2HA   GLY   1          2HA       GLY   1  15.452  -0.308   5.036
   16    QA   GLY   1           QA       GLY   1  15.579  -0.861   4.361
   17    H    LYS   2           H        LYS   2  12.946   0.879   3.697
   18    HA   LYS   2           HA       LYS   2  11.077  -1.331   4.423
   19   1HB   LYS   2          1HB       LYS   2  10.834   1.716   4.345
   20   2HB   LYS   2          2HB       LYS   2   9.471   0.641   4.509
   21   1HG   LYS   2          1HG       LYS   2   9.841   1.172   6.697
   22   2HG   LYS   2          2HG       LYS   2  10.626  -0.392   6.544
   23   1HD   LYS   2          1HD       LYS   2  12.037   1.019   7.883
   24   2HD   LYS   2          2HD       LYS   2  12.840   0.820   6.323
   25   1HE   LYS   2          1HE       LYS   2  11.609   3.013   5.643
   26   2HE   LYS   2          2HE       LYS   2  11.274   3.214   7.363
   27   1HZ   LYS   2          1HZ       LYS   2  13.937   3.012   6.099
   28   2HZ   LYS   2          2HZ       LYS   2  13.213   4.382   6.579
   29   3HZ   LYS   2          3HZ       LYS   2  13.667   3.250   7.719
   30    QB   LYS   2           QB       LYS   2  10.152   1.179   4.427
   31    QG   LYS   2           QG       LYS   2  10.234   0.390   6.620
   32    QD   LYS   2           QD       LYS   2  12.439   0.919   7.103
   33    QE   LYS   2           QE       LYS   2  11.442   3.113   6.503
   34    QZ   LYS   2           QZ       LYS   2  13.606   3.548   6.799
   35    H    ASP   3           H        ASP   3   9.029  -1.358   3.176
   36    HA   ASP   3           HA       ASP   3   8.992   0.056   0.646
   37   1HB   ASP   3          1HB       ASP   3   9.981  -1.958  -0.186
   38   2HB   ASP   3          2HB       ASP   3   8.980  -2.977   0.872
   39    QB   ASP   3           QB       ASP   3   9.481  -2.468   0.343
   40    H    TYR   4           H        TYR   4   6.797  -0.030  -0.234
   41    HA   TYR   4           HA       TYR   4   4.635  -0.523   1.753
   42   1HB   TYR   4          1HB       TYR   4   5.105   1.971   0.101
   43   2HB   TYR   4          2HB       TYR   4   3.519   1.492   0.656
   44    HD1  TYR   4          2HD       TYR   4   6.865   1.528   2.564
   45    HD2  TYR   4          1HD       TYR   4   2.850   3.081   2.249
   46    HE1  TYR   4          2HE       TYR   4   7.125   2.645   4.703
   47    HE2  TYR   4          1HE       TYR   4   3.115   4.208   4.392
   48    HH   TYR   4           HH       TYR   4   5.930   3.606   6.466
   49    QB   TYR   4           QB       TYR   4   4.312   1.732   0.379
   50    QG   TYR   4           QD       TYR   4   4.858   2.304   2.407
   51    QZ   TYR   4           QE       TYR   4   5.120   3.426   4.548
   52    QR   TYR   4           QR       TYR   4   4.989   2.865   3.477
   53    H    TYR   5           H        TYR   5   5.834  -0.711  -1.649
   54    HA   TYR   5           HA       TYR   5   3.239  -1.141  -2.867
   55   1HB   TYR   5          1HB       TYR   5   6.141  -1.410  -3.721
   56   2HB   TYR   5          2HB       TYR   5   4.861  -2.082  -4.687
   57    HD1  TYR   5          1HD       TYR   5   6.076   1.146  -3.250
   58    HD2  TYR   5          2HD       TYR   5   3.627  -0.786  -6.227
   59    HE1  TYR   5          1HE       TYR   5   5.801   3.310  -4.426
   60    HE2  TYR   5          2HE       TYR   5   3.337   1.386  -7.399
   61    HH   TYR   5           HH       TYR   5   5.123   4.321  -6.404
   62    QB   TYR   5           QB       TYR   5   5.501  -1.746  -4.204
   63    QG   TYR   5           QD       TYR   5   4.851   0.180  -4.739
   64    QZ   TYR   5           QE       TYR   5   4.569   2.348  -5.912
   65    QR   TYR   5           QR       TYR   5   4.710   1.264  -5.325
   66    H    GLN   6           H        GLN   6   6.024  -3.252  -2.135
   67    HA   GLN   6           HA       GLN   6   4.601  -5.656  -2.895
   68   1HB   GLN   6          1HB       GLN   6   7.139  -4.912  -3.190
   69   2HB   GLN   6          2HB       GLN   6   7.298  -5.482  -1.529
   70   1HG   GLN   6          1HG       GLN   6   6.570  -7.741  -2.246
   71   2HG   GLN   6          2HG       GLN   6   6.261  -7.128  -3.872
   72   1HE2  GLN   6          2HE2      GLN   6  10.278  -7.116  -2.833
   73   2HE2  GLN   6          1HE2      GLN   6   9.114  -6.528  -1.648
   74    QB   GLN   6           QB       GLN   6   7.218  -5.197  -2.360
   75    QG   GLN   6           QG       GLN   6   6.415  -7.435  -3.059
   76    QE2  GLN   6           QE2      GLN   6   9.696  -6.822  -2.240
   77    H    THR   7           H        THR   7   5.372  -3.843   0.046
   78    HA   THR   7           HA       THR   7   4.406  -5.708   1.958
   79    HB   THR   7           HB       THR   7   4.147  -2.688   1.833
   80    HG1  THR   7          1HG       THR   7   6.137  -2.712   2.740
   81   1HG2  THR   7          3HG2      THR   7   4.074  -4.517   4.270
   82   2HG2  THR   7          1HG2      THR   7   4.082  -2.738   4.285
   83   3HG2  THR   7          2HG2      THR   7   2.690  -3.605   3.627
   84    QG2  THR   7           QG2      THR   7   3.615  -3.620   4.061
   85    H    LEU   8           H        LEU   8   2.690  -3.951  -0.502
   86    HA   LEU   8           HA       LEU   8   0.117  -5.156   0.389
   87   1HB   LEU   8          1HB       LEU   8   0.388  -2.637   0.143
   88   2HB   LEU   8          2HB       LEU   8   0.506  -2.899  -1.589
   89    HG   LEU   8           HG       LEU   8  -1.796  -4.340  -0.501
   90   1HD1  LEU   8          1HD1      LEU   8  -1.746  -2.642   1.293
   91   2HD1  LEU   8          2HD1      LEU   8  -1.850  -1.361   0.076
   92   3HD1  LEU   8          3HD1      LEU   8  -3.185  -2.520   0.266
   93   1HD2  LEU   8          3HD2      LEU   8  -1.476  -3.596  -2.869
   94   2HD2  LEU   8          1HD2      LEU   8  -3.014  -3.134  -2.171
   95   3HD2  LEU   8          2HD2      LEU   8  -1.739  -1.920  -2.347
   96    QB   LEU   8           QB       LEU   8   0.447  -2.768  -0.723
   97    QD1  LEU   8           QD1      LEU   8  -2.260  -2.175   0.545
   98    QD2  LEU   8           QD2      LEU   8  -2.076  -2.883  -2.463
   99    QQD  LEU   8           QQD      LEU   8  -2.168  -2.529  -0.959
  100    H    GLY   9           H        GLY   9   2.564  -6.280  -1.210
  101   1HA   GLY   9          1HA       GLY   9   2.793  -7.994  -2.641
  102   2HA   GLY   9          2HA       GLY   9   1.030  -8.102  -2.732
  103    QA   GLY   9           QA       GLY   9   1.912  -8.048  -2.687
  104    H    LEU  10           H        LEU  10   2.846  -5.164  -3.711
  105    HA   LEU  10           HA       LEU  10   2.235  -5.714  -6.598
  106   1HB   LEU  10          1HB       LEU  10   2.484  -3.137  -5.017
  107   2HB   LEU  10          2HB       LEU  10   2.395  -3.192  -6.762
  108    HG   LEU  10           HG       LEU  10   0.197  -4.617  -5.251
  109   1HD1  LEU  10          2HD1      LEU  10   0.478  -1.603  -5.444
  110   2HD1  LEU  10          3HD1      LEU  10  -1.017  -2.469  -5.001
  111   3HD1  LEU  10          1HD1      LEU  10   0.426  -2.608  -3.981
  112   1HD2  LEU  10          3HD2      LEU  10   0.294  -4.641  -7.724
  113   2HD2  LEU  10          1HD2      LEU  10  -1.141  -3.786  -7.136
  114   3HD2  LEU  10          2HD2      LEU  10   0.238  -2.866  -7.743
  115    QB   LEU  10           QB       LEU  10   2.439  -3.164  -5.890
  116    QD1  LEU  10           QD1      LEU  10  -0.038  -2.227  -4.808
  117    QD2  LEU  10           QD2      LEU  10  -0.203  -3.764  -7.534
  118    QQD  LEU  10           QQD      LEU  10  -0.120  -2.996  -6.171
  119    H    ALA  11           H        ALA  11   3.926  -5.214  -8.089
  120    HA   ALA  11           HA       ALA  11   6.660  -5.098  -7.016
  121   1HB   ALA  11          3HB       ALA  11   5.506  -4.763  -9.813
  122   2HB   ALA  11          1HB       ALA  11   7.233  -4.696  -9.445
  123   3HB   ALA  11          2HB       ALA  11   6.329  -6.203  -9.165
  124    QB   ALA  11           QB       ALA  11   6.356  -5.221  -9.474
  125    H    ARG  12           H        ARG  12   8.048  -3.324  -7.328
  126    HA   ARG  12           HA       ARG  12   6.998  -0.619  -7.342
  127   1HB   ARG  12          1HB       ARG  12   9.763  -1.800  -7.831
  128   2HB   ARG  12          2HB       ARG  12   9.399  -0.139  -8.292
  129   1HG   ARG  12          1HG       ARG  12  10.276   0.136  -6.203
  130   2HG   ARG  12          2HG       ARG  12   8.544   0.238  -5.909
  131   1HD   ARG  12          1HD       ARG  12   8.607  -2.217  -5.235
  132   2HD   ARG  12          2HD       ARG  12  10.366  -2.153  -5.345
  133    HE   ARG  12           HE       ARG  12   8.705  -1.288  -3.199
  134   1HH1  ARG  12          2HH2      ARG  12  11.747  -0.192  -4.751
  135   2HH1  ARG  12          1HH2      ARG  12  12.065   0.960  -3.500
  136   1HH2  ARG  12          2HH1      ARG  12   9.226  -0.018  -1.620
  137   2HH2  ARG  12          1HH1      ARG  12  10.607   1.083  -1.589
  138    QB   ARG  12           QB       ARG  12   9.581  -0.970  -8.061
  139    QG   ARG  12           QG       ARG  12   9.410   0.187  -6.056
  140    QD   ARG  12           QD       ARG  12   9.487  -2.185  -5.290
  141    QH1  ARG  12           QH2      ARG  12  11.906   0.384  -4.126
  142    QH2  ARG  12           QH1      ARG  12   9.917   0.533  -1.605
  143    H    GLY  13           H        GLY  13   6.292   0.441  -8.930
  144   1HA   GLY  13          1HA       GLY  13   6.363   1.343 -11.168
  145   2HA   GLY  13          2HA       GLY  13   6.870  -0.229 -11.788
  146    QA   GLY  13           QA       GLY  13   6.616   0.557 -11.478
  147    H    ALA  14           H        ALA  14   4.295  -0.528  -9.504
  148    HA   ALA  14           HA       ALA  14   2.471  -1.663 -11.294
  149   1HB   ALA  14          1HB       ALA  14   2.030  -0.309  -8.595
  150   2HB   ALA  14          2HB       ALA  14   0.883  -1.378  -9.407
  151   3HB   ALA  14          3HB       ALA  14   2.445  -2.022  -8.875
  152    QB   ALA  14           QB       ALA  14   1.786  -1.237  -8.959
  153    H    SER  15           H        SER  15   0.362  -0.965 -11.971
  154    HA   SER  15           HA       SER  15   0.141   1.973 -12.487
  155   1HB   SER  15          1HB       SER  15  -1.485   1.451 -14.176
  156   2HB   SER  15          2HB       SER  15  -0.002   0.554 -14.506
  157    HG   SER  15           HG       SER  15  -2.248  -0.455 -14.586
  158    QB   SER  15           QB       SER  15  -0.744   1.002 -14.341
  159    H    ASP  16           H        ASP  16  -1.846   2.982 -12.118
  160    HA   ASP  16           HA       ASP  16  -2.830   2.513  -9.591
  161   1HB   ASP  16          1HB       ASP  16  -4.018   4.174 -11.807
  162   2HB   ASP  16          2HB       ASP  16  -4.612   4.185 -10.141
  163    QB   ASP  16           QB       ASP  16  -4.315   4.180 -10.974
  164    H    GLU  17           H        GLU  17  -3.858   1.070 -12.550
  165    HA   GLU  17           HA       GLU  17  -6.471   0.102 -11.785
  166   1HB   GLU  17          1HB       GLU  17  -5.362   0.221 -14.130
  167   2HB   GLU  17          2HB       GLU  17  -4.426  -1.187 -13.639
  168   1HG   GLU  17          1HG       GLU  17  -6.216  -2.083 -14.865
  169   2HG   GLU  17          2HG       GLU  17  -6.698  -2.359 -13.194
  170    QB   GLU  17           QB       GLU  17  -4.894  -0.483 -13.885
  171    QG   GLU  17           QG       GLU  17  -6.457  -2.221 -14.030
  172    H    GLU  18           H        GLU  18  -3.133  -0.812 -11.142
  173    HA   GLU  18           HA       GLU  18  -3.689  -3.545 -10.312
  174   1HB   GLU  18          1HB       GLU  18  -1.523  -2.362 -11.543
  175   2HB   GLU  18          2HB       GLU  18  -1.055  -2.242  -9.843
  176   1HG   GLU  18          1HG       GLU  18  -1.718  -4.652  -9.544
  177   2HG   GLU  18          2HG       GLU  18  -1.914  -4.766 -11.301
  178    QB   GLU  18           QB       GLU  18  -1.289  -2.302 -10.693
  179    QG   GLU  18           QG       GLU  18  -1.816  -4.709 -10.423
  180    H    ILE  19           H        ILE  19  -2.732  -0.351  -9.117
  181    HA   ILE  19           HA       ILE  19  -2.559  -0.969  -6.396
  182    HB   ILE  19           HB       ILE  19  -3.754   1.598  -7.520
  183   1HG1  ILE  19          1HG1      ILE  19  -1.562   1.372  -8.492
  184   2HG1  ILE  19          2HG1      ILE  19  -1.619   2.678  -7.341
  185   1HG2  ILE  19          1HG2      ILE  19  -2.623   0.948  -4.789
  186   2HG2  ILE  19          2HG2      ILE  19  -2.987   2.594  -5.374
  187   3HG2  ILE  19          3HG2      ILE  19  -4.280   1.423  -5.192
  188   1HD1  ILE  19          2HD1      ILE  19  -0.350   1.247  -5.759
  189   2HD1  ILE  19          3HD1      ILE  19  -0.313  -0.036  -7.004
  190   3HD1  ILE  19          1HD1      ILE  19   0.488   1.521  -7.291
  191    QG1  ILE  19           QG1      ILE  19  -1.590   2.025  -7.916
  192    QG2  ILE  19           QG2      ILE  19  -3.297   1.655  -5.119
  193    QD1  ILE  19           QD1      ILE  19  -0.058   0.911  -6.684
  194    H    LYS  20           H        LYS  20  -5.422   0.339  -8.108
  195    HA   LYS  20           HA       LYS  20  -7.270   0.077  -6.021
  196   1HB   LYS  20          1HB       LYS  20  -7.518   0.088  -9.037
  197   2HB   LYS  20          2HB       LYS  20  -8.956   0.096  -7.997
  198   1HG   LYS  20          1HG       LYS  20  -8.423   2.220  -7.094
  199   2HG   LYS  20          2HG       LYS  20  -6.749   2.151  -7.621
  200   1HD   LYS  20          1HD       LYS  20  -7.998   3.733  -8.931
  201   2HD   LYS  20          2HD       LYS  20  -7.386   2.456  -9.963
  202   1HE   LYS  20          1HE       LYS  20 -10.181   2.172  -8.855
  203   2HE   LYS  20          2HE       LYS  20  -9.904   3.399 -10.083
  204   1HZ   LYS  20          3HZ       LYS  20  -9.236   0.536 -10.497
  205   2HZ   LYS  20          1HZ       LYS  20 -10.593   1.295 -11.007
  206   3HZ   LYS  20          2HZ       LYS  20  -9.142   1.775 -11.597
  207    QB   LYS  20           QB       LYS  20  -8.237   0.092  -8.517
  208    QG   LYS  20           QG       LYS  20  -7.586   2.185  -7.358
  209    QD   LYS  20           QD       LYS  20  -7.692   3.095  -9.447
  210    QE   LYS  20           QE       LYS  20 -10.043   2.785  -9.469
  211    QZ   LYS  20           QZ       LYS  20  -9.657   1.202 -11.033
  212    H    ARG  21           H        ARG  21  -6.385  -2.349  -8.449
  213    HA   ARG  21           HA       ARG  21  -8.231  -4.427  -7.733
  214   1HB   ARG  21          1HB       ARG  21  -6.913  -4.462  -9.787
  215   2HB   ARG  21          2HB       ARG  21  -5.425  -4.353  -8.902
  216   1HG   ARG  21          1HG       ARG  21  -6.088  -6.684  -7.892
  217   2HG   ARG  21          2HG       ARG  21  -7.185  -6.781  -9.272
  218   1HD   ARG  21          1HD       ARG  21  -4.245  -6.027  -9.649
  219   2HD   ARG  21          2HD       ARG  21  -4.691  -7.689  -9.349
  220    HE   ARG  21           HE       ARG  21  -5.391  -7.957 -11.438
  221   1HH1  ARG  21          2HH2      ARG  21  -5.352  -4.321 -11.186
  222   2HH1  ARG  21          1HH2      ARG  21  -4.819  -4.246 -12.840
  223   1HH2  ARG  21          2HH1      ARG  21  -4.931  -7.638 -13.529
  224   2HH2  ARG  21          1HH1      ARG  21  -4.724  -6.013 -14.170
  225    QB   ARG  21           QB       ARG  21  -6.169  -4.407  -9.344
  226    QG   ARG  21           QG       ARG  21  -6.636  -6.732  -8.582
  227    QD   ARG  21           QD       ARG  21  -4.468  -6.858  -9.499
  228    QH1  ARG  21           QH2      ARG  21  -5.086  -4.283 -12.013
  229    QH2  ARG  21           QH1      ARG  21  -4.827  -6.826 -13.849
  230    H    ALA  22           H        ALA  22  -4.810  -4.071  -6.912
  231    HA   ALA  22           HA       ALA  22  -4.597  -6.220  -5.132
  232   1HB   ALA  22          1HB       ALA  22  -2.960  -3.670  -5.282
  233   2HB   ALA  22          2HB       ALA  22  -2.505  -5.126  -4.375
  234   3HB   ALA  22          3HB       ALA  22  -2.660  -5.208  -6.139
  235    QB   ALA  22           QB       ALA  22  -2.708  -4.668  -5.266
  236    H    TYR  23           H        TYR  23  -4.998  -2.705  -4.253
  237    HA   TYR  23           HA       TYR  23  -5.053  -3.066  -1.485
  238   1HB   TYR  23          1HB       TYR  23  -4.630  -0.974  -1.844
  239   2HB   TYR  23          2HB       TYR  23  -5.132  -0.999  -3.485
  240    HD1  TYR  23          1HD       TYR  23  -7.859  -1.101  -3.723
  241    HD2  TYR  23          2HD       TYR  23  -5.428   0.994  -0.841
  242    HE1  TYR  23          1HE       TYR  23  -9.613   0.611  -3.506
  243    HE2  TYR  23          2HE       TYR  23  -7.141   2.762  -0.706
  244    HH   TYR  23           HH       TYR  23  -9.043   3.605  -1.759
  245    QB   TYR  23           QB       TYR  23  -4.881  -0.986  -2.664
  246    QG   TYR  23           QD       TYR  23  -6.644  -0.053  -2.282
  247    QZ   TYR  23           QE       TYR  23  -8.377   1.686  -2.106
  248    QR   TYR  23           QR       TYR  23  -7.510   0.816  -2.194
  249    H    ARG  24           H        ARG  24  -7.767  -3.217  -3.842
  250    HA   ARG  24           HA       ARG  24  -9.719  -3.404  -1.753
  251   1HB   ARG  24          1HB       ARG  24  -9.722  -4.128  -4.700
  252   2HB   ARG  24          2HB       ARG  24 -11.039  -4.695  -3.659
  253   1HG   ARG  24          1HG       ARG  24 -11.391  -2.412  -2.809
  254   2HG   ARG  24          2HG       ARG  24 -10.147  -1.793  -3.901
  255   1HD   ARG  24          1HD       ARG  24 -11.513  -2.200  -5.824
  256   2HD   ARG  24          2HD       ARG  24 -12.589  -3.278  -4.913
  257    HE   ARG  24           HE       ARG  24 -13.665  -1.551  -3.923
  258   1HH1  ARG  24          2HH2      ARG  24 -11.026  -0.173  -5.853
  259   2HH1  ARG  24          1HH2      ARG  24 -11.241   1.452  -5.298
  260   1HH2  ARG  24          2HH1      ARG  24 -13.905   0.595  -3.090
  261   2HH2  ARG  24          1HH1      ARG  24 -13.108   1.916  -3.897
  262    QB   ARG  24           QB       ARG  24 -10.381  -4.412  -4.179
  263    QG   ARG  24           QG       ARG  24 -10.769  -2.103  -3.355
  264    QD   ARG  24           QD       ARG  24 -12.051  -2.739  -5.368
  265    QH1  ARG  24           QH2      ARG  24 -11.133   0.640  -5.576
  266    QH2  ARG  24           QH1      ARG  24 -13.507   1.255  -3.494
  267    H    ARG  25           H        ARG  25  -7.907  -6.017  -3.424
  268    HA   ARG  25           HA       ARG  25  -9.308  -7.996  -1.819
  269   1HB   ARG  25          1HB       ARG  25  -8.043  -8.343  -4.118
  270   2HB   ARG  25          2HB       ARG  25  -6.609  -8.522  -3.102
  271   1HG   ARG  25          1HG       ARG  25  -7.397 -10.736  -3.335
  272   2HG   ARG  25          2HG       ARG  25  -8.006 -10.266  -1.756
  273   1HD   ARG  25          1HD       ARG  25  -9.886 -11.279  -2.749
  274   2HD   ARG  25          2HD       ARG  25 -10.199  -9.575  -3.015
  275    HE   ARG  25           HE       ARG  25  -9.916  -9.848  -5.276
  276   1HH1  ARG  25          2HH2      ARG  25  -8.850 -12.876  -3.636
  277   2HH1  ARG  25          1HH2      ARG  25  -8.491 -13.658  -5.147
  278   1HH2  ARG  25          2HH1      ARG  25  -9.423 -11.060  -7.273
  279   2HH2  ARG  25          1HH1      ARG  25  -8.774 -12.670  -7.091
  280    QB   ARG  25           QB       ARG  25  -7.326  -8.432  -3.610
  281    QG   ARG  25           QG       ARG  25  -7.702 -10.501  -2.545
  282    QD   ARG  25           QD       ARG  25 -10.042 -10.427  -2.882
  283    QH1  ARG  25           QH2      ARG  25  -8.671 -13.267  -4.391
  284    QH2  ARG  25           QH1      ARG  25  -9.099 -11.865  -7.182
  285    H    GLN  26           H        GLN  26  -6.165  -6.326  -1.501
  286    HA   GLN  26           HA       GLN  26  -5.212  -7.891   0.667
  287   1HB   GLN  26          1HB       GLN  26  -4.538  -5.170  -0.507
  288   2HB   GLN  26          2HB       GLN  26  -3.776  -5.638   0.954
  289   1HG   GLN  26          1HG       GLN  26  -3.749  -7.604  -1.356
  290   2HG   GLN  26          2HG       GLN  26  -2.651  -6.241  -1.339
  291   1HE2  GLN  26          2HE2      GLN  26  -1.913  -8.595   1.937
  292   2HE2  GLN  26          1HE2      GLN  26  -3.529  -7.933   1.769
  293    QB   GLN  26           QB       GLN  26  -4.157  -5.404   0.224
  294    QG   GLN  26           QG       GLN  26  -3.200  -6.922  -1.347
  295    QE2  GLN  26           QE2      GLN  26  -2.721  -8.264   1.853
  296    H    ALA  27           H        ALA  27  -7.218  -4.905   0.629
  297    HA   ALA  27           HA       ALA  27  -7.431  -4.675   3.485
  298   1HB   ALA  27          3HB       ALA  27  -9.330  -3.980   1.199
  299   2HB   ALA  27          1HB       ALA  27  -9.731  -3.725   2.911
  300   3HB   ALA  27          2HB       ALA  27  -8.342  -2.903   2.215
  301    QB   ALA  27           QB       ALA  27  -9.135  -3.536   2.108
  302    H    LEU  28           H        LEU  28  -9.691  -6.217   1.128
  303    HA   LEU  28           HA       LEU  28 -11.322  -7.349   3.045
  304   1HB   LEU  28          1HB       LEU  28 -11.522  -7.094   0.433
  305   2HB   LEU  28          2HB       LEU  28 -10.821  -8.701   0.385
  306    HG   LEU  28           HG       LEU  28 -12.782  -9.452   1.885
  307   1HD1  LEU  28          3HD1      LEU  28 -13.775  -6.655   1.136
  308   2HD1  LEU  28          1HD1      LEU  28 -14.798  -7.937   1.800
  309   3HD1  LEU  28          2HD1      LEU  28 -13.492  -7.261   2.780
  310   1HD2  LEU  28          2HD2      LEU  28 -13.413  -8.296  -0.857
  311   2HD2  LEU  28          3HD2      LEU  28 -12.723  -9.901  -0.520
  312   3HD2  LEU  28          1HD2      LEU  28 -14.370  -9.522   0.005
  313    QB   LEU  28           QB       LEU  28 -11.172  -7.897   0.409
  314    QD1  LEU  28           QD1      LEU  28 -14.021  -7.285   1.905
  315    QD2  LEU  28           QD2      LEU  28 -13.502  -9.240  -0.458
  316    QQD  LEU  28           QQD      LEU  28 -13.762  -8.262   0.724
  317    H    ARG  29           H        ARG  29  -8.178  -8.487   2.266
  318    HA   ARG  29           HA       ARG  29  -8.448 -11.223   3.140
  319   1HB   ARG  29          1HB       ARG  29  -6.578 -10.075   1.707
  320   2HB   ARG  29          2HB       ARG  29  -5.899  -9.566   3.260
  321   1HG   ARG  29          1HG       ARG  29  -6.081 -12.030   3.955
  322   2HG   ARG  29          2HG       ARG  29  -6.492 -12.392   2.271
  323   1HD   ARG  29          1HD       ARG  29  -3.960 -11.084   3.270
  324   2HD   ARG  29          2HD       ARG  29  -4.104 -12.792   2.837
  325    HE   ARG  29           HE       ARG  29  -4.843 -11.261   0.574
  326   1HH1  ARG  29          2HH2      ARG  29  -1.970 -11.761   2.616
  327   2HH1  ARG  29          1HH2      ARG  29  -0.849 -11.729   1.299
  328   1HH2  ARG  29          2HH1      ARG  29  -3.384 -10.883  -1.083
  329   2HH2  ARG  29          1HH1      ARG  29  -1.665 -11.088  -0.902
  330    QB   ARG  29           QB       ARG  29  -6.239  -9.820   2.483
  331    QG   ARG  29           QG       ARG  29  -6.286 -12.211   3.113
  332    QD   ARG  29           QD       ARG  29  -4.032 -11.938   3.054
  333    QH1  ARG  29           QH2      ARG  29  -1.409 -11.745   1.957
  334    QH2  ARG  29           QH1      ARG  29  -2.524 -10.985  -0.992
  335    H    TYR  30           H        TYR  30  -7.583  -8.170   4.904
  336    HA   TYR  30           HA       TYR  30  -7.811  -9.722   7.452
  337   1HB   TYR  30          1HB       TYR  30  -5.852  -7.467   7.174
  338   2HB   TYR  30          2HB       TYR  30  -5.848  -8.797   8.301
  339    HD1  TYR  30          2HD       TYR  30  -5.309 -11.217   7.176
  340    HD2  TYR  30          1HD       TYR  30  -4.299  -7.378   5.500
  341    HE1  TYR  30          2HE       TYR  30  -3.342 -12.223   6.079
  342    HE2  TYR  30          1HE       TYR  30  -2.331  -8.357   4.405
  343    HH   TYR  30           HH       TYR  30  -1.074 -10.261   4.067
  344    QB   TYR  30           QB       TYR  30  -5.850  -8.132   7.737
  345    QG   TYR  30           QD       TYR  30  -4.804  -9.297   6.338
  346    QZ   TYR  30           QE       TYR  30  -2.836 -10.290   5.242
  347    QR   TYR  30           QR       TYR  30  -3.820  -9.794   5.790
  348    H    HIS  31           H        HIS  31  -9.124  -7.193   5.758
  349    HA   HIS  31           HA       HIS  31  -9.148  -4.982   7.423
  350   1HB   HIS  31          1HB       HIS  31  -9.831  -4.915   5.151
  351   2HB   HIS  31          2HB       HIS  31 -11.096  -6.123   5.389
  352    HD1  HIS  31          1HD       HIS  31 -10.402  -2.379   5.640
  353    HD2  HIS  31          2HD       HIS  31 -13.466  -5.252   5.959
  354    HE1  HIS  31          1HE       HIS  31 -12.599  -1.100   5.647
  355    QB   HIS  31           QB       HIS  31 -10.464  -5.519   5.270
  356    HA   PRO  32           HA       PRO  32 -11.023  -6.586  10.967
  357   1HB   PRO  32          1HB       PRO  32 -11.902  -4.329  12.313
  358   2HB   PRO  32          2HB       PRO  32 -10.190  -4.802  12.140
  359   1HG   PRO  32          1HG       PRO  32 -11.763  -2.840  10.439
  360   2HG   PRO  32          2HG       PRO  32 -10.135  -2.616  11.165
  361   1HD   PRO  32          1HD       PRO  32 -10.428  -3.348   8.584
  362   2HD   PRO  32          2HD       PRO  32  -9.149  -4.093   9.600
  363    QB   PRO  32           QB       PRO  32 -11.046  -4.565  12.226
  364    QG   PRO  32           QG       PRO  32 -10.949  -2.728  10.802
  365    QD   PRO  32           QD       PRO  32  -9.788  -3.721   9.092
  366    H    ASP  33           H        ASP  33 -13.040  -4.605   8.864
  367    HA   ASP  33           HA       ASP  33 -15.526  -5.404  10.158
  368   1HB   ASP  33          1HB       ASP  33 -15.169  -3.206   8.940
  369   2HB   ASP  33          2HB       ASP  33 -15.085  -4.134   7.451
  370    QB   ASP  33           QB       ASP  33 -15.127  -3.670   8.196
  371    H    LYS  34           H        LYS  34 -13.369  -7.286   8.506
  372    HA   LYS  34           HA       LYS  34 -15.572  -8.949   7.407
  373   1HB   LYS  34          1HB       LYS  34 -14.768  -7.681   5.444
  374   2HB   LYS  34          2HB       LYS  34 -13.117  -7.958   5.925
  375   1HG   LYS  34          1HG       LYS  34 -13.290  -9.369   4.158
  376   2HG   LYS  34          2HG       LYS  34 -13.517 -10.493   5.464
  377   1HD   LYS  34          1HD       LYS  34 -15.507  -9.348   3.506
  378   2HD   LYS  34          2HD       LYS  34 -15.170 -11.040   3.826
  379   1HE   LYS  34          1HE       LYS  34 -16.659  -9.111   5.676
  380   2HE   LYS  34          2HE       LYS  34 -17.443 -10.201   4.547
  381   1HZ   LYS  34          3HZ       LYS  34 -15.732 -11.112   6.783
  382   2HZ   LYS  34          1HZ       LYS  34 -17.338 -10.954   6.870
  383   3HZ   LYS  34          2HZ       LYS  34 -16.690 -12.063   5.825
  384    QB   LYS  34           QB       LYS  34 -13.943  -7.820   5.684
  385    QG   LYS  34           QG       LYS  34 -13.403  -9.931   4.811
  386    QD   LYS  34           QD       LYS  34 -15.339 -10.194   3.666
  387    QE   LYS  34           QE       LYS  34 -17.051  -9.656   5.111
  388    QZ   LYS  34           QZ       LYS  34 -16.587 -11.376   6.493
  389    H    ASN  35           H        ASN  35 -12.116  -8.834   8.581
  390    HA   ASN  35           HA       ASN  35 -12.328 -11.660   9.274
  391   1HB   ASN  35          1HB       ASN  35 -11.564 -11.664   6.828
  392   2HB   ASN  35          2HB       ASN  35 -10.162 -10.724   7.331
  393   1HD2  ASN  35          2HD2      ASN  35  -8.594 -13.883   7.635
  394   2HD2  ASN  35          1HD2      ASN  35  -8.753 -12.430   6.664
  395    QB   ASN  35           QB       ASN  35 -10.863 -11.194   7.080
  396    QD2  ASN  35           QD2      ASN  35  -8.674 -13.157   7.149
  397    H    LYS  36           H        LYS  36 -11.722 -11.370  11.347
  398    HA   LYS  36           HA       LYS  36  -9.576  -9.470  12.055
  399   1HB   LYS  36          1HB       LYS  36 -11.124 -11.345  13.793
  400   2HB   LYS  36          2HB       LYS  36  -9.946 -10.178  14.355
  401   1HG   LYS  36          1HG       LYS  36 -12.078  -9.320  14.832
  402   2HG   LYS  36          2HG       LYS  36 -11.421  -8.325  13.532
  403   1HD   LYS  36          1HD       LYS  36 -12.970  -9.198  11.953
  404   2HD   LYS  36          2HD       LYS  36 -13.249 -10.661  12.901
  405   1HE   LYS  36          1HE       LYS  36 -15.195  -9.218  12.926
  406   2HE   LYS  36          2HE       LYS  36 -14.542  -9.467  14.549
  407   1HZ   LYS  36          2HZ       LYS  36 -14.003  -7.068  12.915
  408   2HZ   LYS  36          3HZ       LYS  36 -15.205  -7.184  14.033
  409   3HZ   LYS  36          1HZ       LYS  36 -13.647  -7.287  14.529
  410    QB   LYS  36           QB       LYS  36 -10.535 -10.761  14.074
  411    QG   LYS  36           QG       LYS  36 -11.749  -8.823  14.182
  412    QD   LYS  36           QD       LYS  36 -13.109  -9.930  12.427
  413    QE   LYS  36           QE       LYS  36 -14.868  -9.343  13.738
  414    QZ   LYS  36           QZ       LYS  36 -14.285  -7.180  13.826
  415    H    GLU  37           H        GLU  37  -8.162 -10.749  10.500
  416    HA   GLU  37           HA       GLU  37  -7.855 -13.512  10.860
  417   1HB   GLU  37          1HB       GLU  37  -7.439 -11.969   8.825
  418   2HB   GLU  37          2HB       GLU  37  -5.808 -11.854   9.387
  419   1HG   GLU  37          1HG       GLU  37  -6.948 -14.632   9.186
  420   2HG   GLU  37          2HG       GLU  37  -6.723 -13.746   7.686
  421    QB   GLU  37           QB       GLU  37  -6.624 -11.912   9.106
  422    QG   GLU  37           QG       GLU  37  -6.836 -14.189   8.436
  423    HA   PRO  38           HA       PRO  38  -5.455 -13.060  14.539
  424   1HB   PRO  38          1HB       PRO  38  -4.663 -15.650  15.068
  425   2HB   PRO  38          2HB       PRO  38  -6.322 -15.016  15.273
  426   1HG   PRO  38          1HG       PRO  38  -5.176 -16.566  12.923
  427   2HG   PRO  38          2HG       PRO  38  -6.744 -16.823  13.759
  428   1HD   PRO  38          1HD       PRO  38  -6.540 -15.430  11.424
  429   2HD   PRO  38          2HD       PRO  38  -7.718 -14.964  12.692
  430    QB   PRO  38           QB       PRO  38  -5.493 -15.333  15.170
  431    QG   PRO  38           QG       PRO  38  -5.960 -16.695  13.341
  432    QD   PRO  38           QD       PRO  38  -7.129 -15.197  12.058
  433    H    GLY  39           H        GLY  39  -3.567 -12.086  14.669
  434   1HA   GLY  39          1HA       GLY  39  -1.188 -11.975  14.756
  435   2HA   GLY  39          2HA       GLY  39  -1.073 -13.304  13.611
  436    QA   GLY  39           QA       GLY  39  -1.131 -12.639  14.184
  437    H    ALA  40           H        ALA  40  -3.419 -11.642  12.105
  438    HA   ALA  40           HA       ALA  40  -1.486 -10.292  10.369
  439   1HB   ALA  40          2HB       ALA  40  -3.411 -11.775   9.546
  440   2HB   ALA  40          3HB       ALA  40  -4.470 -10.407  10.026
  441   3HB   ALA  40          1HB       ALA  40  -3.232 -10.178   8.791
  442    QB   ALA  40           QB       ALA  40  -3.704 -10.787   9.454
  443    H    GLU  41           H        GLU  41  -3.091  -9.293  13.181
  444    HA   GLU  41           HA       GLU  41  -4.198  -6.800  12.446
  445   1HB   GLU  41          1HB       GLU  41  -4.342  -7.927  14.694
  446   2HB   GLU  41          2HB       GLU  41  -2.649  -7.503  14.969
  447   1HG   GLU  41          1HG       GLU  41  -3.960  -5.909  16.141
  448   2HG   GLU  41          2HG       GLU  41  -3.289  -5.067  14.747
  449    QB   GLU  41           QB       GLU  41  -3.495  -7.715  14.831
  450    QG   GLU  41           QG       GLU  41  -3.625  -5.488  15.444
  451    H    GLU  42           H        GLU  42  -0.858  -7.688  13.298
  452    HA   GLU  42           HA       GLU  42   0.294  -5.111  12.997
  453   1HB   GLU  42          1HB       GLU  42   1.299  -7.197  14.122
  454   2HB   GLU  42          2HB       GLU  42   1.619  -7.831  12.520
  455   1HG   GLU  42          1HG       GLU  42   3.616  -6.772  13.459
  456   2HG   GLU  42          2HG       GLU  42   3.077  -5.914  12.019
  457    QB   GLU  42           QB       GLU  42   1.459  -7.514  13.321
  458    QG   GLU  42           QG       GLU  42   3.346  -6.343  12.739
  459    H    LYS  43           H        LYS  43  -0.060  -7.817  10.763
  460    HA   LYS  43           HA       LYS  43   1.214  -6.833   8.510
  461   1HB   LYS  43          1HB       LYS  43   0.000  -9.142   9.063
  462   2HB   LYS  43          2HB       LYS  43  -1.396  -8.396   8.323
  463   1HG   LYS  43          1HG       LYS  43  -0.427  -9.571   6.574
  464   2HG   LYS  43          2HG       LYS  43   0.021  -7.893   6.291
  465   1HD   LYS  43          1HD       LYS  43   1.950  -9.227   5.850
  466   2HD   LYS  43          2HD       LYS  43   2.280  -8.449   7.409
  467   1HE   LYS  43          1HE       LYS  43   1.477 -10.526   8.575
  468   2HE   LYS  43          2HE       LYS  43   1.199 -11.281   6.999
  469   1HZ   LYS  43          3HZ       LYS  43   3.629 -10.982   6.604
  470   2HZ   LYS  43          1HZ       LYS  43   3.773 -10.472   8.176
  471   3HZ   LYS  43          2HZ       LYS  43   3.248 -11.974   7.878
  472    QB   LYS  43           QB       LYS  43  -0.698  -8.769   8.693
  473    QG   LYS  43           QG       LYS  43  -0.203  -8.732   6.432
  474    QD   LYS  43           QD       LYS  43   2.115  -8.838   6.629
  475    QE   LYS  43           QE       LYS  43   1.338 -10.903   7.787
  476    QZ   LYS  43           QZ       LYS  43   3.550 -11.142   7.553
  477    H    PHE  44           H        PHE  44  -2.156  -6.573   9.443
  478    HA   PHE  44           HA       PHE  44  -3.138  -4.999   7.348
  479   1HB   PHE  44          1HB       PHE  44  -4.535  -6.321   8.912
  480   2HB   PHE  44          2HB       PHE  44  -4.206  -5.170  10.188
  481    HD1  PHE  44          1HD       PHE  44  -5.440  -5.183   6.611
  482    HD2  PHE  44          2HD       PHE  44  -5.732  -3.393  10.526
  483    HE1  PHE  44          1HE       PHE  44  -7.204  -3.650   5.781
  484    HE2  PHE  44          2HE       PHE  44  -7.509  -1.881   9.691
  485   1HZ   PHE  44           HZ       PHE  44  -8.229  -1.985   7.314
  486    QB   PHE  44           QB       PHE  44  -4.370  -5.745   9.550
  487    QG   PHE  44           QD       PHE  44  -5.586  -4.288   8.569
  488    QZ   PHE  44           QE       PHE  44  -7.356  -2.765   7.736
  489    QZ   PHE  44           QR       PHE  44  -6.823  -3.218   7.985
  490    H    LYS  45           H        LYS  45  -1.790  -4.078  10.494
  491    HA   LYS  45           HA       LYS  45  -2.337  -1.280  10.391
  492   1HB   LYS  45          1HB       LYS  45  -1.454  -1.486  12.424
  493   2HB   LYS  45          2HB       LYS  45  -0.831  -3.057  12.056
  494   1HG   LYS  45          1HG       LYS  45   0.927  -1.807  12.945
  495   2HG   LYS  45          2HG       LYS  45   1.300  -2.111  11.266
  496   1HD   LYS  45          1HD       LYS  45   1.949   0.152  12.102
  497   2HD   LYS  45          2HD       LYS  45   0.909   0.212  10.686
  498   1HE   LYS  45          1HE       LYS  45  -1.051   0.599  12.222
  499   2HE   LYS  45          2HE       LYS  45   0.082   0.698  13.583
  500   1HZ   LYS  45          2HZ       LYS  45   0.253   2.426  11.175
  501   2HZ   LYS  45          3HZ       LYS  45  -0.598   2.839  12.498
  502   3HZ   LYS  45          1HZ       LYS  45   1.030   2.644  12.618
  503    QB   LYS  45           QB       LYS  45  -1.142  -2.271  12.240
  504    QG   LYS  45           QG       LYS  45   1.113  -1.959  12.106
  505    QD   LYS  45           QD       LYS  45   1.429   0.182  11.394
  506    QE   LYS  45           QE       LYS  45  -0.485   0.648  12.902
  507    QZ   LYS  45           QZ       LYS  45   0.229   2.636  12.097
  508    H    GLU  46           H        GLU  46   0.529  -3.149   9.063
  509    HA   GLU  46           HA       GLU  46   1.631  -0.997   7.784
  510   1HB   GLU  46          1HB       GLU  46   2.082  -3.705   8.291
  511   2HB   GLU  46          2HB       GLU  46   2.071  -3.558   6.516
  512   1HG   GLU  46          1HG       GLU  46   3.527  -1.520   6.975
  513   2HG   GLU  46          2HG       GLU  46   3.802  -2.169   8.576
  514    QB   GLU  46           QB       GLU  46   2.076  -3.632   7.403
  515    QG   GLU  46           QG       GLU  46   3.665  -1.844   7.775
  516    H    ILE  47           H        ILE  47  -0.844  -3.365   6.732
  517    HA   ILE  47           HA       ILE  47  -0.952  -2.726   3.975
  518    HB   ILE  47           HB       ILE  47  -3.177  -3.573   5.848
  519   1HG1  ILE  47          1HG1      ILE  47  -1.109  -5.089   5.068
  520   2HG1  ILE  47          2HG1      ILE  47  -2.731  -5.740   5.278
  521   1HG2  ILE  47          3HG2      ILE  47  -3.462  -3.204   2.860
  522   2HG2  ILE  47          1HG2      ILE  47  -4.574  -4.143   3.879
  523   3HG2  ILE  47          2HG2      ILE  47  -4.378  -2.416   4.147
  524   1HD1  ILE  47          3HD1      ILE  47  -1.707  -4.758   2.607
  525   2HD1  ILE  47          1HD1      ILE  47  -1.535  -6.431   3.194
  526   3HD1  ILE  47          2HD1      ILE  47  -3.153  -5.749   2.978
  527    QG1  ILE  47           QG1      ILE  47  -1.920  -5.414   5.173
  528    QG2  ILE  47           QG2      ILE  47  -4.138  -3.254   3.629
  529    QD1  ILE  47           QD1      ILE  47  -2.132  -5.646   2.926
  530    H    ALA  48           H        ALA  48  -2.683  -1.154   6.753
  531    HA   ALA  48           HA       ALA  48  -4.063   0.756   5.163
  532   1HB   ALA  48          1HB       ALA  48  -3.195   0.879   8.057
  533   2HB   ALA  48          2HB       ALA  48  -4.357   1.975   7.284
  534   3HB   ALA  48          3HB       ALA  48  -4.728   0.246   7.415
  535    QB   ALA  48           QB       ALA  48  -4.094   1.033   7.586
  536    H    GLU  49           H        GLU  49  -0.755   0.801   6.491
  537    HA   GLU  49           HA       GLU  49  -0.252   3.582   5.894
  538   1HB   GLU  49          1HB       GLU  49   1.118   1.375   7.137
  539   2HB   GLU  49          2HB       GLU  49   2.179   2.087   5.929
  540   1HG   GLU  49          1HG       GLU  49   2.540   3.172   8.073
  541   2HG   GLU  49          2HG       GLU  49   1.817   4.330   6.951
  542    QB   GLU  49           QB       GLU  49   1.648   1.731   6.533
  543    QG   GLU  49           QG       GLU  49   2.179   3.751   7.512
  544    H    ALA  50           H        ALA  50   0.255   0.497   4.196
  545    HA   ALA  50           HA       ALA  50   1.464   1.682   1.845
  546   1HB   ALA  50          3HB       ALA  50   0.075  -0.991   2.278
  547   2HB   ALA  50          1HB       ALA  50   0.992  -0.514   0.842
  548   3HB   ALA  50          2HB       ALA  50   1.815  -0.663   2.406
  549    QB   ALA  50           QB       ALA  50   0.961  -0.723   1.842
  550    H    TYR  51           H        TYR  51  -1.834   0.970   2.892
  551    HA   TYR  51           HA       TYR  51  -3.283   1.109   0.535
  552   1HB   TYR  51          1HB       TYR  51  -3.824   0.679   3.140
  553   2HB   TYR  51          2HB       TYR  51  -4.353   2.327   3.099
  554    HD1  TYR  51          1HD       TYR  51  -4.624  -1.022   1.532
  555    HD2  TYR  51          2HD       TYR  51  -6.656   2.664   2.492
  556    HE1  TYR  51          1HE       TYR  51  -6.776  -2.040   0.880
  557    HE2  TYR  51          2HE       TYR  51  -8.807   1.661   1.858
  558    HH   TYR  51           HH       TYR  51  -9.869  -0.216   1.184
  559    QB   TYR  51           QB       TYR  51  -4.089   1.503   3.119
  560    QG   TYR  51           QD       TYR  51  -5.640   0.821   2.012
  561    QZ   TYR  51           QE       TYR  51  -7.791  -0.189   1.369
  562    QR   TYR  51           QR       TYR  51  -6.716   0.316   1.690
  563    H    ASP  52           H        ASP  52  -2.438   3.687   2.867
  564    HA   ASP  52           HA       ASP  52  -3.795   5.724   1.392
  565   1HB   ASP  52          1HB       ASP  52  -3.058   5.605   3.912
  566   2HB   ASP  52          2HB       ASP  52  -1.607   6.416   3.324
  567    QB   ASP  52           QB       ASP  52  -2.332   6.011   3.618
  568    H    VAL  53           H        VAL  53  -0.299   4.852   1.625
  569    HA   VAL  53           HA       VAL  53   0.667   6.956  -0.051
  570    HB   VAL  53           HB       VAL  53   1.679   4.165   0.651
  571   1HG1  VAL  53          2HG1      VAL  53   3.170   6.210  -1.037
  572   2HG1  VAL  53          3HG1      VAL  53   3.917   4.794  -0.249
  573   3HG1  VAL  53          1HG1      VAL  53   2.712   4.555  -1.502
  574   1HG2  VAL  53          1HG2      VAL  53   2.590   6.953   1.428
  575   2HG2  VAL  53          2HG2      VAL  53   1.708   5.806   2.459
  576   3HG2  VAL  53          3HG2      VAL  53   3.368   5.465   1.936
  577    QG1  VAL  53           QG1      VAL  53   3.266   5.186  -0.929
  578    QG2  VAL  53           QG2      VAL  53   2.555   6.075   1.941
  579    QQG  VAL  53           QQG      VAL  53   2.911   5.631   0.506
  580    H    LEU  54           H        LEU  54  -0.325   3.564  -0.829
  581    HA   LEU  54           HA       LEU  54   0.414   3.779  -3.552
  582   1HB   LEU  54          1HB       LEU  54  -1.365   1.869  -2.058
  583   2HB   LEU  54          2HB       LEU  54  -0.853   1.706  -3.721
  584    HG   LEU  54           HG       LEU  54   1.136   1.850  -1.425
  585   1HD1  LEU  54          3HD1      LEU  54  -0.279  -0.154  -1.290
  586   2HD1  LEU  54          1HD1      LEU  54   0.126  -0.548  -2.981
  587   3HD1  LEU  54          2HD1      LEU  54   1.381  -0.556  -1.722
  588   1HD2  LEU  54          1HD2      LEU  54   1.550   1.144  -4.348
  589   2HD2  LEU  54          2HD2      LEU  54   2.209   2.544  -3.459
  590   3HD2  LEU  54          3HD2      LEU  54   2.734   0.946  -3.040
  591    QB   LEU  54           QB       LEU  54  -1.109   1.787  -2.890
  592    QD1  LEU  54           QD1      LEU  54   0.409  -0.419  -1.998
  593    QD2  LEU  54           QD2      LEU  54   2.164   1.544  -3.616
  594    QQD  LEU  54           QQD      LEU  54   1.287   0.563  -2.807
  595    H    SER  55           H        SER  55  -2.675   4.410  -1.824
  596    HA   SER  55           HA       SER  55  -4.126   4.851  -4.248
  597   1HB   SER  55          1HB       SER  55  -5.839   5.754  -2.828
  598   2HB   SER  55          2HB       SER  55  -5.152   4.321  -2.066
  599    HG   SER  55           HG       SER  55  -3.753   6.201  -0.999
  600    QB   SER  55           QB       SER  55  -5.495   5.038  -2.447
  601    H    ASP  56           H        ASP  56  -2.031   7.009  -2.311
  602    HA   ASP  56           HA       ASP  56  -3.409   9.367  -3.314
  603   1HB   ASP  56          1HB       ASP  56  -3.096   9.080  -0.969
  604   2HB   ASP  56          2HB       ASP  56  -1.354   8.874  -1.160
  605    QB   ASP  56           QB       ASP  56  -2.225   8.977  -1.065
  606    HA   PRO  57           HA       PRO  57  -0.169   9.648  -6.433
  607   1HB   PRO  57          1HB       PRO  57  -0.829  12.121  -7.519
  608   2HB   PRO  57          2HB       PRO  57  -1.654  10.585  -7.916
  609   1HG   PRO  57          1HG       PRO  57  -2.481  12.697  -5.913
  610   2HG   PRO  57          2HG       PRO  57  -3.500  11.885  -7.135
  611   1HD   PRO  57          1HD       PRO  57  -3.479  11.075  -4.563
  612   2HD   PRO  57          2HD       PRO  57  -3.529   9.856  -5.872
  613    QB   PRO  57           QB       PRO  57  -1.242  11.353  -7.718
  614    QG   PRO  57           QG       PRO  57  -2.991  12.291  -6.524
  615    QD   PRO  57           QD       PRO  57  -3.504  10.466  -5.217
  616    H    ARG  58           H        ARG  58  -0.956  12.572  -4.510
  617    HA   ARG  58           HA       ARG  58   1.572  13.820  -4.952
  618   1HB   ARG  58          1HB       ARG  58   0.787  15.519  -3.667
  619   2HB   ARG  58          2HB       ARG  58  -0.671  14.834  -4.379
  620   1HG   ARG  58          1HG       ARG  58  -0.469  13.396  -1.990
  621   2HG   ARG  58          2HG       ARG  58   0.273  14.942  -1.579
  622   1HD   ARG  58          1HD       ARG  58  -1.867  16.012  -2.579
  623   2HD   ARG  58          2HD       ARG  58  -2.490  14.365  -2.726
  624    HE   ARG  58           HE       ARG  58  -2.888  14.290  -0.493
  625   1HH1  ARG  58          2HH2      ARG  58  -0.861  17.169  -1.132
  626   2HH1  ARG  58          1HH2      ARG  58  -0.942  17.737   0.507
  627   1HH2  ARG  58          2HH1      ARG  58  -3.112  15.111   1.552
  628   2HH2  ARG  58          1HH1      ARG  58  -2.399  16.600   2.083
  629    QB   ARG  58           QB       ARG  58   0.058  15.177  -4.023
  630    QG   ARG  58           QG       ARG  58  -0.098  14.169  -1.785
  631    QD   ARG  58           QD       ARG  58  -2.178  15.189  -2.652
  632    QH1  ARG  58           QH2      ARG  58  -0.901  17.453  -0.312
  633    QH2  ARG  58           QH1      ARG  58  -2.755  15.855   1.818
  634    H    LYS  59           H        LYS  59   0.761  11.258  -2.817
  635    HA   LYS  59           HA       LYS  59   3.147  11.742  -1.140
  636   1HB   LYS  59          1HB       LYS  59   1.038  11.258  -0.060
  637   2HB   LYS  59          2HB       LYS  59   0.852   9.749  -0.973
  638   1HG   LYS  59          1HG       LYS  59   2.569   8.662   0.141
  639   2HG   LYS  59          2HG       LYS  59   3.387  10.155   0.607
  640   1HD   LYS  59          1HD       LYS  59   2.325   9.006   2.536
  641   2HD   LYS  59          2HD       LYS  59   1.810  10.681   2.279
  642   1HE   LYS  59          1HE       LYS  59  -0.296   9.909   1.266
  643   2HE   LYS  59          2HE       LYS  59   0.204   8.217   1.469
  644   1HZ   LYS  59          2HZ       LYS  59  -0.036  10.111   3.708
  645   2HZ   LYS  59          3HZ       LYS  59  -1.244   9.074   3.231
  646   3HZ   LYS  59          1HZ       LYS  59   0.179   8.484   3.802
  647    QB   LYS  59           QB       LYS  59   0.945  10.503  -0.516
  648    QG   LYS  59           QG       LYS  59   2.978   9.408   0.374
  649    QD   LYS  59           QD       LYS  59   2.068   9.844   2.407
  650    QE   LYS  59           QE       LYS  59  -0.046   9.063   1.367
  651    QZ   LYS  59           QZ       LYS  59  -0.367   9.223   3.580
  652    H    ARG  60           H        ARG  60   1.769   9.348  -3.517
  653    HA   ARG  60           HA       ARG  60   4.127   7.728  -3.436
  654   1HB   ARG  60          1HB       ARG  60   1.663   7.804  -4.964
  655   2HB   ARG  60          2HB       ARG  60   3.021   7.622  -6.092
  656   1HG   ARG  60          1HG       ARG  60   3.857   5.688  -4.906
  657   2HG   ARG  60          2HG       ARG  60   2.792   5.987  -3.539
  658   1HD   ARG  60          1HD       ARG  60   1.937   4.180  -4.722
  659   2HD   ARG  60          2HD       ARG  60   0.820   5.548  -4.909
  660    HE   ARG  60           HE       ARG  60   2.842   4.682  -6.950
  661   1HH1  ARG  60          2HH2      ARG  60  -0.664   5.163  -6.246
  662   2HH1  ARG  60          1HH2      ARG  60  -1.069   5.036  -7.938
  663   1HH2  ARG  60          2HH1      ARG  60   2.124   4.312  -9.122
  664   2HH2  ARG  60          1HH1      ARG  60   0.434   4.551  -9.485
  665    QB   ARG  60           QB       ARG  60   2.342   7.713  -5.528
  666    QG   ARG  60           QG       ARG  60   3.324   5.837  -4.222
  667    QD   ARG  60           QD       ARG  60   1.379   4.864  -4.815
  668    QH1  ARG  60           QH2      ARG  60  -0.867   5.100  -7.092
  669    QH2  ARG  60           QH1      ARG  60   1.279   4.432  -9.304
  670    H    GLU  61           H        GLU  61   3.468  10.733  -5.094
  671    HA   GLU  61           HA       GLU  61   5.747  11.090  -6.683
  672   1HB   GLU  61          1HB       GLU  61   3.828  12.577  -6.553
  673   2HB   GLU  61          2HB       GLU  61   4.060  12.830  -4.849
  674   1HG   GLU  61          1HG       GLU  61   4.629  14.819  -5.992
  675   2HG   GLU  61          2HG       GLU  61   6.057  14.146  -5.214
  676    QB   GLU  61           QB       GLU  61   3.944  12.703  -5.701
  677    QG   GLU  61           QG       GLU  61   5.343  14.483  -5.603
  678    H    ILE  62           H        ILE  62   5.375  11.525  -3.156
  679    HA   ILE  62           HA       ILE  62   8.089  12.460  -2.737
  680    HB   ILE  62           HB       ILE  62   6.111  11.257  -0.735
  681   1HG1  ILE  62          1HG1      ILE  62   6.583  14.172  -1.479
  682   2HG1  ILE  62          2HG1      ILE  62   5.178  13.221  -1.923
  683   1HG2  ILE  62          2HG2      ILE  62   8.477  11.326   0.097
  684   2HG2  ILE  62          3HG2      ILE  62   8.454  13.092  -0.143
  685   3HG2  ILE  62          1HG2      ILE  62   7.368  12.325   1.019
  686   1HD1  ILE  62          3HD1      ILE  62   4.647  12.913   0.519
  687   2HD1  ILE  62          1HD1      ILE  62   5.938  14.089   0.882
  688   3HD1  ILE  62          2HD1      ILE  62   4.546  14.578  -0.084
  689    QG1  ILE  62           QG1      ILE  62   5.881  13.697  -1.701
  690    QG2  ILE  62           QG2      ILE  62   8.100  12.248   0.324
  691    QD1  ILE  62           QD1      ILE  62   5.043  13.860   0.439
  692    H    PHE  63           H        PHE  63   6.412   9.320  -2.376
  693    HA   PHE  63           HA       PHE  63   8.677   7.878  -1.396
  694   1HB   PHE  63          1HB       PHE  63   6.198   7.271  -1.270
  695   2HB   PHE  63          2HB       PHE  63   6.257   6.871  -2.976
  696    HD1  PHE  63          2HD       PHE  63   7.679   4.895  -3.756
  697    HD2  PHE  63          1HD       PHE  63   6.899   5.723   0.411
  698    HE1  PHE  63          2HE       PHE  63   8.152   2.537  -3.200
  699    HE2  PHE  63          1HE       PHE  63   7.372   3.366   0.964
  700   1HZ   PHE  63           HZ       PHE  63   7.949   1.747  -0.839
  701    QB   PHE  63           QB       PHE  63   6.228   7.071  -2.123
  702    QG   PHE  63           QD       PHE  63   7.289   5.309  -1.673
  703    QZ   PHE  63           QE       PHE  63   7.762   2.952  -1.118
  704    QZ   PHE  63           QR       PHE  63   7.610   3.654  -1.284
  705    H    ASP  64           H        ASP  64   7.562   8.648  -4.684
  706    HA   ASP  64           HA       ASP  64   9.375   6.989  -6.169
  707   1HB   ASP  64          1HB       ASP  64   7.306   8.023  -7.081
  708   2HB   ASP  64          2HB       ASP  64   8.009   9.622  -6.880
  709    QB   ASP  64           QB       ASP  64   7.657   8.822  -6.980
  710    H    ARG  65           H        ARG  65   9.405  10.477  -5.365
  711    HA   ARG  65           HA       ARG  65  11.903  11.001  -6.526
  712   1HB   ARG  65          1HB       ARG  65  10.447  12.756  -6.245
  713   2HB   ARG  65          2HB       ARG  65  10.116  12.379  -4.580
  714   1HG   ARG  65          1HG       ARG  65  12.134  13.268  -3.752
  715   2HG   ARG  65          2HG       ARG  65  12.839  13.421  -5.357
  716   1HD   ARG  65          1HD       ARG  65  10.358  14.939  -4.477
  717   2HD   ARG  65          2HD       ARG  65  11.993  15.594  -4.397
  718    HE   ARG  65           HE       ARG  65  10.470  14.877  -6.860
  719   1HH1  ARG  65          2HH2      ARG  65  13.210  16.617  -5.472
  720   2HH1  ARG  65          1HH2      ARG  65  13.886  17.058  -7.001
  721   1HH2  ARG  65          2HH1      ARG  65  11.381  15.265  -8.830
  722   2HH2  ARG  65          1HH1      ARG  65  12.843  16.204  -8.996
  723    QB   ARG  65           QB       ARG  65  10.282  12.568  -5.412
  724    QG   ARG  65           QG       ARG  65  12.486  13.344  -4.555
  725    QD   ARG  65           QD       ARG  65  11.176  15.267  -4.437
  726    QH1  ARG  65           QH2      ARG  65  13.548  16.838  -6.236
  727    QH2  ARG  65           QH1      ARG  65  12.112  15.735  -8.913
  728    H    TYR  66           H        TYR  66  11.028  10.366  -3.233
  729    HA   TYR  66           HA       TYR  66  13.903  10.160  -2.385
  730   1HB   TYR  66          1HB       TYR  66  11.447  10.477  -0.619
  731   2HB   TYR  66          2HB       TYR  66  13.129  10.457  -0.095
  732    HD1  TYR  66          1HD       TYR  66  14.713  12.274  -1.223
  733    HD2  TYR  66          2HD       TYR  66  10.422  12.555  -1.047
  734    HE1  TYR  66          1HE       TYR  66  14.865  14.673  -1.745
  735    HE2  TYR  66          2HE       TYR  66  10.574  14.995  -1.507
  736    HH   TYR  66           HH       TYR  66  13.679  16.618  -2.198
  737    QB   TYR  66           QB       TYR  66  12.288  10.467  -0.357
  738    QG   TYR  66           QD       TYR  66  12.568  12.414  -1.135
  739    QZ   TYR  66           QE       TYR  66  12.719  14.834  -1.626
  740    QR   TYR  66           QR       TYR  66  12.643  13.624  -1.381
  741    H    GLY  67           H        GLY  67  10.927   8.648  -1.101
  742   1HA   GLY  67          1HA       GLY  67  10.958   6.009  -1.340
  743   2HA   GLY  67          2HA       GLY  67  12.496   6.272  -0.477
  744    QA   GLY  67           QA       GLY  67  11.727   6.141  -0.908
  745    H    GLU  68           H        GLU  68  11.214   5.065   1.267
  746    HA   GLU  68           HA       GLU  68   9.016   6.162   2.637
  747   1HB   GLU  68          1HB       GLU  68   9.935   3.898   2.939
  748   2HB   GLU  68          2HB       GLU  68  11.371   4.537   3.721
  749   1HG   GLU  68          1HG       GLU  68   8.531   4.984   4.755
  750   2HG   GLU  68          2HG       GLU  68   9.492   3.586   5.200
  751    QB   GLU  68           QB       GLU  68  10.653   4.218   3.330
  752    QG   GLU  68           QG       GLU  68   9.011   4.285   4.978
  753    H    GLU  69           H        GLU  69  12.522   6.850   3.022
  754    HA   GLU  69           HA       GLU  69  12.366   8.358   5.351
  755   1HB   GLU  69          1HB       GLU  69  14.256   8.376   2.936
  756   2HB   GLU  69          2HB       GLU  69  14.506   9.442   4.306
  757   1HG   GLU  69          1HG       GLU  69  15.849   7.577   4.774
  758   2HG   GLU  69          2HG       GLU  69  14.470   7.462   5.871
  759    QB   GLU  69           QB       GLU  69  14.381   8.909   3.621
  760    QG   GLU  69           QG       GLU  69  15.160   7.519   5.323
  761    H    GLY  70           H        GLY  70  11.403   9.299   2.121
  762   1HA   GLY  70          1HA       GLY  70  11.707  12.175   2.402
  763   2HA   GLY  70          2HA       GLY  70  10.777  11.322   1.181
  764    QA   GLY  70           QA       GLY  70  11.242  11.749   1.792
  765    H    LEU  71           H        LEU  71   9.292   9.789   3.273
  766    HA   LEU  71           HA       LEU  71   7.021  11.618   3.326
  767   1HB   LEU  71          1HB       LEU  71   6.833   9.256   2.643
  768   2HB   LEU  71          2HB       LEU  71   7.453   8.727   4.201
  769    HG   LEU  71           HG       LEU  71   5.463   9.466   5.341
  770   1HD1  LEU  71          1HD1      LEU  71   4.460  10.376   2.619
  771   2HD1  LEU  71          2HD1      LEU  71   3.504  10.314   4.124
  772   3HD1  LEU  71          3HD1      LEU  71   4.832  11.449   3.963
  773   1HD2  LEU  71          3HD2      LEU  71   5.512   7.214   4.353
  774   2HD2  LEU  71          1HD2      LEU  71   3.873   7.868   4.366
  775   3HD2  LEU  71          2HD2      LEU  71   4.807   7.843   2.851
  776    QB   LEU  71           QB       LEU  71   7.143   8.991   3.422
  777    QD1  LEU  71           QD1      LEU  71   4.265  10.713   3.569
  778    QD2  LEU  71           QD2      LEU  71   4.731   7.641   3.856
  779    QQD  LEU  71           QQD      LEU  71   4.498   9.177   3.712
  780    H    LYS  72           H        LYS  72   5.788  11.950   5.381
  781    HA   LYS  72           HA       LYS  72   7.161  11.440   7.910
  782   1HB   LYS  72          1HB       LYS  72   7.859  13.733   7.160
  783   2HB   LYS  72          2HB       LYS  72   6.164  14.229   7.166
  784   1HG   LYS  72          1HG       LYS  72   6.003  13.762   9.557
  785   2HG   LYS  72          2HG       LYS  72   7.648  13.122   9.593
  786   1HD   LYS  72          1HD       LYS  72   7.430  15.907   8.539
  787   2HD   LYS  72          2HD       LYS  72   6.856  15.701  10.185
  788   1HE   LYS  72          1HE       LYS  72   9.161  16.339  10.300
  789   2HE   LYS  72          2HE       LYS  72   9.009  14.675  10.864
  790   1HZ   LYS  72          1HZ       LYS  72   9.895  15.415   8.130
  791   2HZ   LYS  72          2HZ       LYS  72  10.896  15.056   9.402
  792   3HZ   LYS  72          3HZ       LYS  72   9.904  13.915   8.788
  793    QB   LYS  72           QB       LYS  72   7.011  13.981   7.163
  794    QG   LYS  72           QG       LYS  72   6.825  13.442   9.575
  795    QD   LYS  72           QD       LYS  72   7.143  15.804   9.362
  796    QE   LYS  72           QE       LYS  72   9.085  15.507  10.582
  797    QZ   LYS  72           QZ       LYS  72  10.232  14.795   8.774
  798    H    GLY  73           H        GLY  73   5.396   9.757   7.451
  799   1HA   GLY  73          1HA       GLY  73   2.612  10.734   7.572
  800   2HA   GLY  73          2HA       GLY  73   3.203   9.086   7.282
  801    QA   GLY  73           QA       GLY  73   2.907   9.910   7.427
  802    H    SER  74           H        SER  74   3.128  11.650   9.694
  803    HA   SER  74           HA       SER  74   2.789  11.635  11.968
  804   1HB   SER  74          1HB       SER  74   2.097   9.056  11.815
  805   2HB   SER  74          2HB       SER  74   3.739   8.808  12.406
  806    HG   SER  74           HG       SER  74   3.195  10.253  14.158
  807    QB   SER  74           QB       SER  74   2.918   8.932  12.110
  808    H    GLY  75           H        GLY  75   4.495  13.101  11.781
  809   1HA   GLY  75          1HA       GLY  75   7.285  12.203  11.729
  810   2HA   GLY  75          2HA       GLY  75   6.678  13.844  12.039
  811    QA   GLY  75           QA       GLY  75   6.981  13.024  11.884
  812    H    CYS  76           H        CYS  76   6.708  10.591  13.463
  813    HA   CYS  76           HA       CYS  76   6.460   9.761  15.523
  814   1HB   CYS  76          1HB       CYS  76   8.587  11.172  15.986
  815   2HB   CYS  76          2HB       CYS  76   7.486  12.334  16.769
  816    HG   CYS  76           HG       CYS  76   6.548  10.803  18.549
  817    QB   CYS  76           QB       CYS  76   8.037  11.753  16.378
   
  No H/Q in entry =         817
  Start of MODEL    4
    1    H    MET   0           H        MET   0  11.108 -10.151   2.109
    2    HA   MET   0           HA       MET   0  12.071  -7.973   3.837
    3   1HB   MET   0          1HB       MET   0  14.295  -8.294   2.977
    4   2HB   MET   0          2HB       MET   0  13.706  -9.806   3.669
    5   1HG   MET   0          1HG       MET   0  13.789  -9.150   0.695
    6   2HG   MET   0          2HG       MET   0  15.013 -10.056   1.569
    7   1HE   MET   0          3HE       MET   0  13.584 -10.984  -1.105
    8   2HE   MET   0          1HE       MET   0  14.812 -12.004  -0.314
    9   3HE   MET   0          2HE       MET   0  13.250 -12.698  -0.783
   10    QB   MET   0           QB       MET   0  14.001  -9.050   3.323
   11    QG   MET   0           QG       MET   0  14.401  -9.603   1.132
   12    QE   MET   0           QE       MET   0  13.882 -11.895  -0.734
   13    H    GLY   1           H        GLY   1  13.205  -6.176   2.571
   14   1HA   GLY   1          1HA       GLY   1  13.398  -4.737   0.800
   15   2HA   GLY   1          2HA       GLY   1  12.547  -5.897  -0.232
   16    QA   GLY   1           QA       GLY   1  12.972  -5.317   0.284
   17    H    LYS   2           H        LYS   2  10.564  -5.477   2.384
   18    HA   LYS   2           HA       LYS   2   8.583  -4.136   0.853
   19   1HB   LYS   2          1HB       LYS   2   8.113  -5.829   2.557
   20   2HB   LYS   2          2HB       LYS   2   8.815  -4.798   3.812
   21   1HG   LYS   2          1HG       LYS   2   6.772  -3.278   2.456
   22   2HG   LYS   2          2HG       LYS   2   6.135  -4.877   2.753
   23   1HD   LYS   2          1HD       LYS   2   5.508  -3.756   4.685
   24   2HD   LYS   2          2HD       LYS   2   6.994  -4.535   5.224
   25   1HE   LYS   2          1HE       LYS   2   8.238  -2.402   4.807
   26   2HE   LYS   2          2HE       LYS   2   6.732  -1.667   4.227
   27   1HZ   LYS   2          1HZ       LYS   2   5.812  -2.187   6.461
   28   2HZ   LYS   2          2HZ       LYS   2   7.352  -2.513   6.985
   29   3HZ   LYS   2          3HZ       LYS   2   6.953  -1.025   6.412
   30    QB   LYS   2           QB       LYS   2   8.464  -5.314   3.185
   31    QG   LYS   2           QG       LYS   2   6.453  -4.077   2.605
   32    QD   LYS   2           QD       LYS   2   6.251  -4.146   4.954
   33    QE   LYS   2           QE       LYS   2   7.485  -2.035   4.517
   34    QZ   LYS   2           QZ       LYS   2   6.706  -1.908   6.620
   35    H    ASP   3           H        ASP   3   8.504  -1.815   0.435
   36    HA   ASP   3           HA       ASP   3   8.881  -0.252   2.915
   37   1HB   ASP   3          1HB       ASP   3   9.075   0.782   0.123
   38   2HB   ASP   3          2HB       ASP   3   9.143   1.722   1.611
   39    QB   ASP   3           QB       ASP   3   9.109   1.252   0.867
   40    H    TYR   4           H        TYR   4   6.889  -0.511  -0.041
   41    HA   TYR   4           HA       TYR   4   4.441  -0.321   1.550
   42   1HB   TYR   4          1HB       TYR   4   4.967   2.016  -0.284
   43   2HB   TYR   4          2HB       TYR   4   3.436   1.591   0.384
   44    HD1  TYR   4          1HD       TYR   4   3.631   1.174   3.144
   45    HD2  TYR   4          2HD       TYR   4   5.869   3.952   0.727
   46    HE1  TYR   4          1HE       TYR   4   3.998   2.557   5.117
   47    HE2  TYR   4          2HE       TYR   4   6.125   5.431   2.708
   48    HH   TYR   4           HH       TYR   4   4.833   4.529   5.935
   49    QB   TYR   4           QB       TYR   4   4.201   1.804   0.050
   50    QG   TYR   4           QD       TYR   4   4.750   2.563   1.935
   51    QZ   TYR   4           QE       TYR   4   5.061   3.994   3.913
   52    QR   TYR   4           QR       TYR   4   4.906   3.278   2.924
   53    H    TYR   5           H        TYR   5   5.933  -0.274  -1.828
   54    HA   TYR   5           HA       TYR   5   3.437  -0.682  -3.161
   55   1HB   TYR   5          1HB       TYR   5   6.362  -1.097  -3.848
   56   2HB   TYR   5          2HB       TYR   5   5.141  -1.813  -4.841
   57    HD1  TYR   5          2HD       TYR   5   3.266  -0.297  -5.832
   58    HD2  TYR   5          1HD       TYR   5   7.031   1.155  -4.331
   59    HE1  TYR   5          2HE       TYR   5   3.010   1.756  -7.173
   60    HE2  TYR   5          1HE       TYR   5   6.823   3.180  -5.718
   61    HH   TYR   5           HH       TYR   5   5.660   4.147  -7.482
   62    QB   TYR   5           QB       TYR   5   5.751  -1.455  -4.345
   63    QG   TYR   5           QD       TYR   5   5.149   0.429  -5.081
   64    QZ   TYR   5           QE       TYR   5   4.917   2.468  -6.445
   65    QR   TYR   5           QR       TYR   5   5.033   1.448  -5.763
   66    H    GLN   6           H        GLN   6   5.993  -2.843  -2.011
   67    HA   GLN   6           HA       GLN   6   4.649  -5.233  -2.584
   68   1HB   GLN   6          1HB       GLN   6   6.388  -5.440  -0.297
   69   2HB   GLN   6          2HB       GLN   6   6.397  -6.261  -1.781
   70   1HG   GLN   6          1HG       GLN   6   7.516  -4.047  -2.690
   71   2HG   GLN   6          2HG       GLN   6   7.704  -3.615  -0.985
   72   1HE2  GLN   6          2HE2      GLN   6  10.623  -5.534  -2.669
   73   2HE2  GLN   6          1HE2      GLN   6   9.748  -3.992  -2.873
   74    QB   GLN   6           QB       GLN   6   6.392  -5.850  -1.039
   75    QG   GLN   6           QG       GLN   6   7.610  -3.831  -1.837
   76    QE2  GLN   6           QE2      GLN   6  10.185  -4.763  -2.771
   77    H    THR   7           H        THR   7   4.610  -3.381   0.342
   78    HA   THR   7           HA       THR   7   3.085  -5.106   1.981
   79    HB   THR   7           HB       THR   7   2.550  -2.116   1.814
   80    HG1  THR   7          1HG       THR   7   4.372  -1.921   3.239
   81   1HG2  THR   7          1HG2      THR   7   1.320  -3.502   3.510
   82   2HG2  THR   7          2HG2      THR   7   2.865  -3.954   4.228
   83   3HG2  THR   7          3HG2      THR   7   2.314  -2.263   4.241
   84    QG2  THR   7           QG2      THR   7   2.166  -3.240   3.993
   85    H    LEU   8           H        LEU   8   2.143  -3.118  -0.708
   86    HA   LEU   8           HA       LEU   8  -0.720  -3.770  -0.483
   87   1HB   LEU   8          1HB       LEU   8   0.494  -1.463  -0.988
   88   2HB   LEU   8          2HB       LEU   8   0.524  -2.065  -2.618
   89    HG   LEU   8           HG       LEU   8  -1.319  -0.553  -2.253
   90   1HD1  LEU   8          1HD1      LEU   8  -1.725  -2.569  -3.723
   91   2HD1  LEU   8          2HD1      LEU   8  -2.668  -3.250  -2.391
   92   3HD1  LEU   8          3HD1      LEU   8  -3.136  -1.714  -3.152
   93   1HD2  LEU   8          2HD2      LEU   8  -1.580  -0.918   0.203
   94   2HD2  LEU   8          3HD2      LEU   8  -3.093  -0.849  -0.718
   95   3HD2  LEU   8          1HD2      LEU   8  -2.473  -2.415  -0.157
   96    QB   LEU   8           QB       LEU   8   0.509  -1.764  -1.803
   97    QD1  LEU   8           QD1      LEU   8  -2.510  -2.511  -3.089
   98    QD2  LEU   8           QD2      LEU   8  -2.382  -1.394  -0.224
   99    QQD  LEU   8           QQD      LEU   8  -2.446  -1.953  -1.656
  100    H    GLY   9           H        GLY   9   1.934  -5.356  -1.627
  101   1HA   GLY   9          1HA       GLY   9   1.895  -7.420  -2.615
  102   2HA   GLY   9          2HA       GLY   9   0.270  -7.117  -3.218
  103    QA   GLY   9           QA       GLY   9   1.083  -7.268  -2.916
  104    H    LEU  10           H        LEU  10   2.608  -4.637  -4.061
  105    HA   LEU  10           HA       LEU  10   2.676  -5.728  -6.850
  106   1HB   LEU  10          1HB       LEU  10   2.650  -2.820  -6.020
  107   2HB   LEU  10          2HB       LEU  10   2.566  -3.458  -7.648
  108    HG   LEU  10           HG       LEU  10   0.350  -4.605  -6.168
  109   1HD1  LEU  10          1HD1      LEU  10   0.716  -1.586  -5.933
  110   2HD1  LEU  10          2HD1      LEU  10  -0.818  -2.437  -5.683
  111   3HD1  LEU  10          3HD1      LEU  10   0.574  -2.789  -4.630
  112   1HD2  LEU  10          3HD2      LEU  10   0.523  -4.174  -8.646
  113   2HD2  LEU  10          1HD2      LEU  10  -0.985  -3.674  -7.879
  114   3HD2  LEU  10          2HD2      LEU  10   0.238  -2.460  -8.297
  115    QB   LEU  10           QB       LEU  10   2.608  -3.139  -6.834
  116    QD1  LEU  10           QD1      LEU  10   0.157  -2.271  -5.416
  117    QD2  LEU  10           QD2      LEU  10  -0.075  -3.436  -8.274
  118    QQD  LEU  10           QQD      LEU  10   0.041  -2.854  -6.845
  119    H    ALA  11           H        ALA  11   4.338  -4.392  -8.141
  120    HA   ALA  11           HA       ALA  11   6.922  -4.075  -6.698
  121   1HB   ALA  11          1HB       ALA  11   6.351  -5.194  -9.489
  122   2HB   ALA  11          2HB       ALA  11   7.962  -4.877  -8.826
  123   3HB   ALA  11          3HB       ALA  11   6.932  -6.129  -8.096
  124    QB   ALA  11           QB       ALA  11   7.082  -5.400  -8.804
  125    H    ARG  12           H        ARG  12   8.389  -2.725  -8.153
  126    HA   ARG  12           HA       ARG  12   7.244  -0.240  -9.149
  127   1HB   ARG  12          1HB       ARG  12   9.905  -1.666  -9.661
  128   2HB   ARG  12          2HB       ARG  12   9.429  -0.195 -10.480
  129   1HG   ARG  12          1HG       ARG  12  10.718   0.676  -8.864
  130   2HG   ARG  12          2HG       ARG  12   9.138   0.858  -8.116
  131   1HD   ARG  12          1HD       ARG  12   9.608  -0.699  -6.460
  132   2HD   ARG  12          2HD       ARG  12  10.602  -1.693  -7.523
  133    HE   ARG  12           HE       ARG  12  11.491   0.824  -6.171
  134   1HH1  ARG  12          2HH2      ARG  12  12.445  -2.256  -7.671
  135   2HH1  ARG  12          1HH2      ARG  12  14.123  -1.826  -7.726
  136   1HH2  ARG  12          2HH1      ARG  12  13.614   1.330  -6.168
  137   2HH2  ARG  12          1HH1      ARG  12  14.826   0.306  -6.847
  138    QB   ARG  12           QB       ARG  12   9.667  -0.930 -10.070
  139    QG   ARG  12           QG       ARG  12   9.928   0.767  -8.490
  140    QD   ARG  12           QD       ARG  12  10.105  -1.196  -6.991
  141    QH1  ARG  12           QH2      ARG  12  13.284  -2.041  -7.698
  142    QH2  ARG  12           QH1      ARG  12  14.220   0.818  -6.507
  143    H    GLY  13           H        GLY  13   5.701  -0.387 -10.706
  144   1HA   GLY  13          1HA       GLY  13   5.748  -1.246 -13.288
  145   2HA   GLY  13          2HA       GLY  13   5.546  -2.753 -12.389
  146    QA   GLY  13           QA       GLY  13   5.647  -1.999 -12.839
  147    H    ALA  14           H        ALA  14   4.064  -1.284 -10.183
  148    HA   ALA  14           HA       ALA  14   1.411  -1.710 -10.844
  149   1HB   ALA  14          3HB       ALA  14   2.296  -1.374  -8.557
  150   2HB   ALA  14          1HB       ALA  14   2.614   0.327  -8.921
  151   3HB   ALA  14          2HB       ALA  14   0.941  -0.266  -8.883
  152    QB   ALA  14           QB       ALA  14   1.950  -0.438  -8.787
  153    H    SER  15           H        SER  15   0.067  -0.712 -12.310
  154    HA   SER  15           HA       SER  15   0.322   2.216 -12.827
  155   1HB   SER  15          1HB       SER  15  -1.518   1.806 -14.411
  156   2HB   SER  15          2HB       SER  15  -0.188   0.696 -14.779
  157    HG   SER  15           HG       SER  15  -1.595  -0.812 -14.561
  158    QB   SER  15           QB       SER  15  -0.853   1.251 -14.595
  159    H    ASP  16           H        ASP  16  -1.577   3.485 -12.424
  160    HA   ASP  16           HA       ASP  16  -2.526   3.183  -9.910
  161   1HB   ASP  16          1HB       ASP  16  -3.770   5.072 -10.188
  162   2HB   ASP  16          2HB       ASP  16  -2.653   5.235 -11.546
  163    QB   ASP  16           QB       ASP  16  -3.212   5.153 -10.867
  164    H    GLU  17           H        GLU  17  -3.784   1.557 -12.768
  165    HA   GLU  17           HA       GLU  17  -6.355   0.849 -11.654
  166   1HB   GLU  17          1HB       GLU  17  -5.540   0.571 -14.169
  167   2HB   GLU  17          2HB       GLU  17  -4.831  -0.938 -13.588
  168   1HG   GLU  17          1HG       GLU  17  -7.308  -1.173 -12.474
  169   2HG   GLU  17          2HG       GLU  17  -7.714  -0.101 -13.805
  170    QB   GLU  17           QB       GLU  17  -5.185  -0.184 -13.878
  171    QG   GLU  17           QG       GLU  17  -7.511  -0.637 -13.140
  172    H    GLU  18           H        GLU  18  -3.031  -0.367 -11.370
  173    HA   GLU  18           HA       GLU  18  -3.883  -2.970 -10.438
  174   1HB   GLU  18          1HB       GLU  18  -1.643  -1.986 -11.796
  175   2HB   GLU  18          2HB       GLU  18  -1.040  -2.195 -10.160
  176   1HG   GLU  18          1HG       GLU  18  -2.207  -4.502 -10.168
  177   2HG   GLU  18          2HG       GLU  18  -2.432  -4.289 -11.904
  178    QB   GLU  18           QB       GLU  18  -1.342  -2.091 -10.978
  179    QG   GLU  18           QG       GLU  18  -2.319  -4.395 -11.036
  180    H    ILE  19           H        ILE  19  -2.679   0.108  -9.353
  181    HA   ILE  19           HA       ILE  19  -2.174  -0.439  -6.660
  182    HB   ILE  19           HB       ILE  19  -3.576   2.056  -7.696
  183   1HG1  ILE  19          1HG1      ILE  19  -1.294   1.694  -8.693
  184   2HG1  ILE  19          2HG1      ILE  19  -1.618   3.231  -7.922
  185   1HG2  ILE  19          2HG2      ILE  19  -2.289   1.485  -5.022
  186   2HG2  ILE  19          3HG2      ILE  19  -2.674   3.137  -5.600
  187   3HG2  ILE  19          1HG2      ILE  19  -3.960   1.964  -5.348
  188   1HD1  ILE  19          3HD1      ILE  19  -0.040   1.002  -6.628
  189   2HD1  ILE  19          1HD1      ILE  19   0.648   2.334  -7.586
  190   3HD1  ILE  19          2HD1      ILE  19  -0.214   2.712  -6.102
  191    QG1  ILE  19           QG1      ILE  19  -1.456   2.462  -8.307
  192    QG2  ILE  19           QG2      ILE  19  -2.974   2.195  -5.323
  193    QD1  ILE  19           QD1      ILE  19   0.131   2.016  -6.772
  194    H    LYS  20           H        LYS  20  -5.277   0.724  -8.069
  195    HA   LYS  20           HA       LYS  20  -6.763   0.219  -5.679
  196   1HB   LYS  20          1HB       LYS  20  -7.287   1.884  -7.506
  197   2HB   LYS  20          2HB       LYS  20  -7.939   0.556  -8.452
  198   1HG   LYS  20          1HG       LYS  20  -9.548   0.076  -6.532
  199   2HG   LYS  20          2HG       LYS  20  -8.872   1.480  -5.695
  200   1HD   LYS  20          1HD       LYS  20  -9.527   2.799  -7.866
  201   2HD   LYS  20          2HD       LYS  20 -10.487   1.366  -8.265
  202   1HE   LYS  20          1HE       LYS  20 -12.037   2.734  -7.192
  203   2HE   LYS  20          2HE       LYS  20 -11.523   1.671  -5.876
  204   1HZ   LYS  20          1HZ       LYS  20  -9.983   3.480  -5.194
  205   2HZ   LYS  20          2HZ       LYS  20 -10.531   4.415  -6.413
  206   3HZ   LYS  20          3HZ       LYS  20 -11.542   4.014  -5.217
  207    QB   LYS  20           QB       LYS  20  -7.613   1.220  -7.979
  208    QG   LYS  20           QG       LYS  20  -9.210   0.778  -6.113
  209    QD   LYS  20           QD       LYS  20 -10.007   2.082  -8.065
  210    QE   LYS  20           QE       LYS  20 -11.780   2.202  -6.534
  211    QZ   LYS  20           QZ       LYS  20 -10.685   3.969  -5.608
  212    H    ARG  21           H        ARG  21  -6.020  -1.859  -8.437
  213    HA   ARG  21           HA       ARG  21  -8.010  -3.864  -7.946
  214   1HB   ARG  21          1HB       ARG  21  -6.760  -3.703 -10.054
  215   2HB   ARG  21          2HB       ARG  21  -5.259  -4.050  -9.233
  216   1HG   ARG  21          1HG       ARG  21  -6.130  -6.004 -10.444
  217   2HG   ARG  21          2HG       ARG  21  -5.927  -6.308  -8.722
  218   1HD   ARG  21          1HD       ARG  21  -8.374  -5.996  -8.380
  219   2HD   ARG  21          2HD       ARG  21  -8.572  -5.693 -10.114
  220    HE   ARG  21           HE       ARG  21  -7.726  -7.950 -10.533
  221   1HH1  ARG  21          2HH2      ARG  21  -9.292  -7.393  -7.352
  222   2HH1  ARG  21          1HH2      ARG  21  -9.570  -9.061  -7.072
  223   1HH2  ARG  21          2HH1      ARG  21  -7.969 -10.127 -10.060
  224   2HH2  ARG  21          1HH1      ARG  21  -8.890 -10.652  -8.690
  225    QB   ARG  21           QB       ARG  21  -6.009  -3.876  -9.643
  226    QG   ARG  21           QG       ARG  21  -6.029  -6.156  -9.583
  227    QD   ARG  21           QD       ARG  21  -8.473  -5.844  -9.247
  228    QH1  ARG  21           QH2      ARG  21  -9.431  -8.227  -7.212
  229    QH2  ARG  21           QH1      ARG  21  -8.429 -10.390  -9.375
  230    H    ALA  22           H        ALA  22  -4.538  -3.835  -7.249
  231    HA   ALA  22           HA       ALA  22  -4.524  -6.108  -5.589
  232   1HB   ALA  22          2HB       ALA  22  -2.525  -5.184  -6.688
  233   2HB   ALA  22          3HB       ALA  22  -2.583  -3.782  -5.592
  234   3HB   ALA  22          1HB       ALA  22  -2.279  -5.412  -4.951
  235    QB   ALA  22           QB       ALA  22  -2.462  -4.793  -5.743
  236    H    TYR  23           H        TYR  23  -5.036  -2.629  -4.669
  237    HA   TYR  23           HA       TYR  23  -4.938  -2.526  -2.010
  238   1HB   TYR  23          1HB       TYR  23  -6.195  -1.213  -4.231
  239   2HB   TYR  23          2HB       TYR  23  -7.536  -1.558  -3.270
  240    HD1  TYR  23          2HD       TYR  23  -4.197   0.108  -3.192
  241    HD2  TYR  23          1HD       TYR  23  -8.285   0.047  -1.789
  242    HE1  TYR  23          2HE       TYR  23  -3.879   2.340  -2.213
  243    HE2  TYR  23          1HE       TYR  23  -7.989   2.313  -0.857
  244    HH   TYR  23           HH       TYR  23  -4.846   3.947  -0.777
  245    QB   TYR  23           QB       TYR  23  -6.866  -1.386  -3.751
  246    QG   TYR  23           QD       TYR  23  -6.241   0.077  -2.491
  247    QZ   TYR  23           QE       TYR  23  -5.934   2.327  -1.535
  248    QR   TYR  23           QR       TYR  23  -6.088   1.202  -2.013
  249    H    ARG  24           H        ARG  24  -7.994  -3.480  -3.611
  250    HA   ARG  24           HA       ARG  24  -9.147  -4.174  -1.069
  251   1HB   ARG  24          1HB       ARG  24 -10.038  -4.558  -3.948
  252   2HB   ARG  24          2HB       ARG  24 -11.012  -5.108  -2.573
  253   1HG   ARG  24          1HG       ARG  24 -11.216  -2.899  -1.686
  254   2HG   ARG  24          2HG       ARG  24  -9.985  -2.241  -2.774
  255   1HD   ARG  24          1HD       ARG  24 -12.219  -1.563  -3.465
  256   2HD   ARG  24          2HD       ARG  24 -11.438  -2.546  -4.702
  257    HE   ARG  24           HE       ARG  24 -13.610  -3.367  -2.833
  258   1HH1  ARG  24          2HH2      ARG  24 -11.889  -4.053  -5.894
  259   2HH1  ARG  24          1HH2      ARG  24 -12.825  -5.483  -6.204
  260   1HH2  ARG  24          2HH1      ARG  24 -14.824  -5.096  -3.302
  261   2HH2  ARG  24          1HH1      ARG  24 -14.777  -5.895  -4.864
  262    QB   ARG  24           QB       ARG  24 -10.525  -4.833  -3.260
  263    QG   ARG  24           QG       ARG  24 -10.600  -2.570  -2.230
  264    QD   ARG  24           QD       ARG  24 -11.828  -2.055  -4.084
  265    QH1  ARG  24           QH2      ARG  24 -12.357  -4.768  -6.049
  266    QH2  ARG  24           QH1      ARG  24 -14.801  -5.496  -4.083
  267    H    ARG  25           H        ARG  25  -7.543  -6.089  -3.580
  268    HA   ARG  25           HA       ARG  25  -8.175  -8.674  -2.554
  269   1HB   ARG  25          1HB       ARG  25  -7.203  -8.237  -4.786
  270   2HB   ARG  25          2HB       ARG  25  -5.751  -7.589  -4.048
  271   1HG   ARG  25          1HG       ARG  25  -5.094  -9.630  -4.739
  272   2HG   ARG  25          2HG       ARG  25  -5.354  -9.927  -3.031
  273   1HD   ARG  25          1HD       ARG  25  -7.363 -10.569  -5.251
  274   2HD   ARG  25          2HD       ARG  25  -6.142 -11.699  -4.647
  275    HE   ARG  25           HE       ARG  25  -7.572 -10.813  -2.404
  276   1HH1  ARG  25          2HH2      ARG  25  -7.994 -12.983  -5.192
  277   2HH1  ARG  25          1HH2      ARG  25  -9.391 -13.767  -4.522
  278   1HH2  ARG  25          2HH1      ARG  25  -9.118 -12.047  -1.442
  279   2HH2  ARG  25          1HH1      ARG  25  -9.993 -13.298  -2.251
  280    QB   ARG  25           QB       ARG  25  -6.477  -7.913  -4.417
  281    QG   ARG  25           QG       ARG  25  -5.224  -9.779  -3.885
  282    QD   ARG  25           QD       ARG  25  -6.753 -11.134  -4.949
  283    QH1  ARG  25           QH2      ARG  25  -8.692 -13.375  -4.857
  284    QH2  ARG  25           QH1      ARG  25  -9.556 -12.672  -1.847
  285    H    GLN  26           H        GLN  26  -5.489  -6.356  -1.785
  286    HA   GLN  26           HA       GLN  26  -4.252  -8.040   0.151
  287   1HB   GLN  26          1HB       GLN  26  -3.808  -5.468  -1.143
  288   2HB   GLN  26          2HB       GLN  26  -3.804  -5.125   0.508
  289   1HG   GLN  26          1HG       GLN  26  -1.550  -5.716  -0.132
  290   2HG   GLN  26          2HG       GLN  26  -2.133  -7.114   0.761
  291   1HE2  GLN  26          2HE2      GLN  26  -2.082  -7.714  -3.335
  292   2HE2  GLN  26          1HE2      GLN  26  -3.057  -6.439  -2.640
  293    QB   GLN  26           QB       GLN  26  -3.806  -5.296  -0.318
  294    QG   GLN  26           QG       GLN  26  -1.842  -6.415   0.315
  295    QE2  GLN  26           QE2      GLN  26  -2.570  -7.076  -2.988
  296    H    ALA  27           H        ALA  27  -6.482  -5.220   0.522
  297    HA   ALA  27           HA       ALA  27  -6.722  -5.265   3.284
  298   1HB   ALA  27          3HB       ALA  27  -8.871  -4.637   1.228
  299   2HB   ALA  27          1HB       ALA  27  -8.955  -4.236   2.957
  300   3HB   ALA  27          2HB       ALA  27  -7.700  -3.507   1.951
  301    QB   ALA  27           QB       ALA  27  -8.509  -4.127   2.046
  302    H    LEU  28           H        LEU  28  -8.729  -7.039   0.957
  303    HA   LEU  28           HA       LEU  28 -10.379  -8.416   2.742
  304   1HB   LEU  28          1HB       LEU  28 -10.730  -8.107   0.338
  305   2HB   LEU  28          2HB       LEU  28  -9.348  -9.142  -0.018
  306    HG   LEU  28           HG       LEU  28 -10.569 -11.094   0.912
  307   1HD1  LEU  28          1HD1      LEU  28 -12.823  -9.059   1.300
  308   2HD1  LEU  28          2HD1      LEU  28 -13.029 -10.820   1.361
  309   3HD1  LEU  28          3HD1      LEU  28 -12.016 -10.011   2.569
  310   1HD2  LEU  28          2HD2      LEU  28 -10.720 -10.376  -1.503
  311   2HD2  LEU  28          3HD2      LEU  28 -12.136 -11.285  -0.943
  312   3HD2  LEU  28          1HD2      LEU  28 -12.211  -9.515  -1.116
  313    QB   LEU  28           QB       LEU  28 -10.039  -8.624   0.160
  314    QD1  LEU  28           QD1      LEU  28 -12.623  -9.963   1.744
  315    QD2  LEU  28           QD2      LEU  28 -11.689 -10.392  -1.187
  316    QQD  LEU  28           QQD      LEU  28 -12.156 -10.178   0.278
  317    H    ARG  29           H        ARG  29  -6.954  -9.131   1.916
  318    HA   ARG  29           HA       ARG  29  -7.091 -11.853   2.746
  319   1HB   ARG  29          1HB       ARG  29  -5.381 -10.817   1.176
  320   2HB   ARG  29          2HB       ARG  29  -4.620 -10.059   2.566
  321   1HG   ARG  29          1HG       ARG  29  -4.108 -12.209   3.569
  322   2HG   ARG  29          2HG       ARG  29  -5.239 -13.014   2.474
  323   1HD   ARG  29          1HD       ARG  29  -3.028 -13.578   1.774
  324   2HD   ARG  29          2HD       ARG  29  -3.762 -12.535   0.556
  325    HE   ARG  29           HE       ARG  29  -1.719 -11.725   2.589
  326   1HH1  ARG  29          2HH2      ARG  29  -2.879 -11.467  -0.812
  327   2HH1  ARG  29          1HH2      ARG  29  -1.900 -10.046  -1.086
  328   1HH2  ARG  29          2HH1      ARG  29  -0.239 -10.135   1.981
  329   2HH2  ARG  29          1HH1      ARG  29  -0.397  -9.316   0.435
  330    QB   ARG  29           QB       ARG  29  -5.001 -10.438   1.871
  331    QG   ARG  29           QG       ARG  29  -4.674 -12.611   3.021
  332    QD   ARG  29           QD       ARG  29  -3.395 -13.057   1.165
  333    QH1  ARG  29           QH2      ARG  29  -2.390 -10.756  -0.949
  334    QH2  ARG  29           QH1      ARG  29  -0.318  -9.726   1.208
  335    H    TYR  30           H        TYR  30  -6.432  -8.793   4.501
  336    HA   TYR  30           HA       TYR  30  -5.948 -10.428   6.971
  337   1HB   TYR  30          1HB       TYR  30  -5.104  -7.586   6.382
  338   2HB   TYR  30          2HB       TYR  30  -4.695  -8.532   7.805
  339    HD1  TYR  30          2HD       TYR  30  -3.206 -10.597   7.574
  340    HD2  TYR  30          1HD       TYR  30  -4.012  -7.925   4.290
  341    HE1  TYR  30          2HE       TYR  30  -1.275 -11.535   6.332
  342    HE2  TYR  30          1HE       TYR  30  -2.060  -8.807   3.075
  343    HH   TYR  30           HH       TYR  30   0.382 -10.161   4.437
  344    QB   TYR  30           QB       TYR  30  -4.899  -8.059   7.094
  345    QG   TYR  30           QD       TYR  30  -3.609  -9.261   5.932
  346    QZ   TYR  30           QE       TYR  30  -1.667 -10.171   4.704
  347    QR   TYR  30           QR       TYR  30  -2.638  -9.716   5.318
  348    H    HIS  31           H        HIS  31  -8.338  -8.649   5.534
  349    HA   HIS  31           HA       HIS  31  -9.266  -6.752   7.016
  350   1HB   HIS  31          1HB       HIS  31 -10.255  -8.121   4.966
  351   2HB   HIS  31          2HB       HIS  31 -11.353  -8.735   6.164
  352    HD1  HIS  31          1HD       HIS  31 -11.606  -5.640   7.670
  353    HD2  HIS  31          2HD       HIS  31 -12.034  -6.814   3.630
  354    HE1  HIS  31          1HE       HIS  31 -13.211  -4.016   6.623
  355    QB   HIS  31           QB       HIS  31 -10.804  -8.428   5.565
  356    HA   PRO  32           HA       PRO  32  -9.687  -8.876  10.960
  357   1HB   PRO  32          1HB       PRO  32  -9.944  -6.751  12.659
  358   2HB   PRO  32          2HB       PRO  32  -8.400  -7.251  11.906
  359   1HG   PRO  32          1HG       PRO  32 -10.297  -5.085  10.949
  360   2HG   PRO  32          2HG       PRO  32  -8.525  -4.971  11.182
  361   1HD   PRO  32          1HD       PRO  32  -9.610  -5.460   8.750
  362   2HD   PRO  32          2HD       PRO  32  -8.101  -6.283   9.268
  363    QB   PRO  32           QB       PRO  32  -9.172  -7.001  12.283
  364    QG   PRO  32           QG       PRO  32  -9.411  -5.028  11.065
  365    QD   PRO  32           QD       PRO  32  -8.855  -5.872   9.009
  366    H    ASP  33           H        ASP  33 -12.056  -7.132   9.277
  367    HA   ASP  33           HA       ASP  33 -14.287  -7.596  11.096
  368   1HB   ASP  33          1HB       ASP  33 -14.402  -5.716   9.582
  369   2HB   ASP  33          2HB       ASP  33 -13.975  -6.723   8.196
  370    QB   ASP  33           QB       ASP  33 -14.189  -6.219   8.889
  371    H    LYS  34           H        LYS  34 -12.956  -9.054   8.128
  372    HA   LYS  34           HA       LYS  34 -15.158 -11.078   8.190
  373   1HB   LYS  34          1HB       LYS  34 -15.137  -9.896   6.150
  374   2HB   LYS  34          2HB       LYS  34 -13.382 -10.042   5.964
  375   1HG   LYS  34          1HG       LYS  34 -13.541 -12.450   5.565
  376   2HG   LYS  34          2HG       LYS  34 -15.278 -12.409   5.924
  377   1HD   LYS  34          1HD       LYS  34 -15.505 -10.777   3.974
  378   2HD   LYS  34          2HD       LYS  34 -13.855 -11.204   3.520
  379   1HE   LYS  34          1HE       LYS  34 -15.998 -13.310   4.009
  380   2HE   LYS  34          2HE       LYS  34 -15.896 -12.487   2.453
  381   1HZ   LYS  34          1HZ       LYS  34 -13.551 -13.900   3.546
  382   2HZ   LYS  34          2HZ       LYS  34 -14.720 -14.669   2.691
  383   3HZ   LYS  34          3HZ       LYS  34 -13.894 -13.463   1.981
  384    QB   LYS  34           QB       LYS  34 -14.259  -9.969   6.057
  385    QG   LYS  34           QG       LYS  34 -14.410 -12.430   5.745
  386    QD   LYS  34           QD       LYS  34 -14.680 -10.991   3.747
  387    QE   LYS  34           QE       LYS  34 -15.947 -12.899   3.231
  388    QZ   LYS  34           QZ       LYS  34 -14.055 -14.011   2.739
  389    H    ASN  35           H        ASN  35 -11.582 -10.822   8.265
  390    HA   ASN  35           HA       ASN  35 -11.224 -13.732   8.110
  391   1HB   ASN  35          1HB       ASN  35  -9.524 -11.778   7.422
  392   2HB   ASN  35          2HB       ASN  35  -9.099 -11.821   9.134
  393   1HD2  ASN  35          2HD2      ASN  35  -6.894 -14.206   7.189
  394   2HD2  ASN  35          1HD2      ASN  35  -7.317 -12.558   6.866
  395    QB   ASN  35           QB       ASN  35  -9.312 -11.799   8.278
  396    QD2  ASN  35           QD2      ASN  35  -7.106 -13.382   7.027
  397    H    LYS  36           H        LYS  36 -11.217 -11.071  10.440
  398    HA   LYS  36           HA       LYS  36 -10.916 -10.837  12.590
  399   1HB   LYS  36          1HB       LYS  36 -12.674 -13.238  12.580
  400   2HB   LYS  36          2HB       LYS  36 -12.208 -12.451  14.104
  401   1HG   LYS  36          1HG       LYS  36 -13.104 -10.316  13.307
  402   2HG   LYS  36          2HG       LYS  36 -13.494 -11.037  11.746
  403   1HD   LYS  36          1HD       LYS  36 -15.501 -10.861  12.784
  404   2HD   LYS  36          2HD       LYS  36 -15.124 -12.563  13.043
  405   1HE   LYS  36          1HE       LYS  36 -14.472 -10.416  15.098
  406   2HE   LYS  36          2HE       LYS  36 -16.113 -11.038  14.945
  407   1HZ   LYS  36          3HZ       LYS  36 -15.318 -13.236  15.393
  408   2HZ   LYS  36          1HZ       LYS  36 -13.760 -12.708  15.596
  409   3HZ   LYS  36          2HZ       LYS  36 -14.940 -12.229  16.619
  410    QB   LYS  36           QB       LYS  36 -12.441 -12.845  13.342
  411    QG   LYS  36           QG       LYS  36 -13.299 -10.676  12.526
  412    QD   LYS  36           QD       LYS  36 -15.312 -11.712  12.913
  413    QE   LYS  36           QE       LYS  36 -15.293 -10.727  15.022
  414    QZ   LYS  36           QZ       LYS  36 -14.673 -12.724  15.869
  415    H    GLU  37           H        GLU  37  -8.863 -12.486  11.086
  416    HA   GLU  37           HA       GLU  37  -7.741 -14.422  12.687
  417   1HB   GLU  37          1HB       GLU  37  -7.210 -14.191  10.394
  418   2HB   GLU  37          2HB       GLU  37  -6.613 -12.548  10.601
  419   1HG   GLU  37          1HG       GLU  37  -4.722 -13.455  11.968
  420   2HG   GLU  37          2HG       GLU  37  -5.413 -15.075  11.786
  421    QB   GLU  37           QB       GLU  37  -6.911 -13.370  10.497
  422    QG   GLU  37           QG       GLU  37  -5.067 -14.265  11.877
  423    HA   PRO  38           HA       PRO  38  -6.242 -11.839  16.078
  424   1HB   PRO  38          1HB       PRO  38  -4.263 -13.383  17.170
  425   2HB   PRO  38          2HB       PRO  38  -6.007 -13.757  17.349
  426   1HG   PRO  38          1HG       PRO  38  -4.075 -14.883  15.285
  427   2HG   PRO  38          2HG       PRO  38  -5.172 -15.792  16.363
  428   1HD   PRO  38          1HD       PRO  38  -5.919 -15.250  13.850
  429   2HD   PRO  38          2HD       PRO  38  -7.105 -15.041  15.170
  430    QB   PRO  38           QB       PRO  38  -5.135 -13.570  17.259
  431    QG   PRO  38           QG       PRO  38  -4.624 -15.338  15.824
  432    QD   PRO  38           QD       PRO  38  -6.512 -15.146  14.510
  433    H    GLY  39           H        GLY  39  -4.780 -10.169  16.188
  434   1HA   GLY  39          1HA       GLY  39  -2.991  -8.856  15.753
  435   2HA   GLY  39          2HA       GLY  39  -2.089 -10.293  15.263
  436    QA   GLY  39           QA       GLY  39  -2.540  -9.575  15.508
  437    H    ALA  40           H        ALA  40  -4.586 -10.526  13.149
  438    HA   ALA  40           HA       ALA  40  -3.135  -9.437  10.924
  439   1HB   ALA  40          1HB       ALA  40  -4.744 -11.277  10.748
  440   2HB   ALA  40          2HB       ALA  40  -6.086 -10.157  11.130
  441   3HB   ALA  40          3HB       ALA  40  -5.136  -9.954   9.648
  442    QB   ALA  40           QB       ALA  40  -5.322 -10.463  10.509
  443    H    GLU  41           H        GLU  41  -5.327  -7.858  13.230
  444    HA   GLU  41           HA       GLU  41  -5.968  -5.672  11.503
  445   1HB   GLU  41          1HB       GLU  41  -7.229  -6.078  13.560
  446   2HB   GLU  41          2HB       GLU  41  -5.799  -5.699  14.540
  447   1HG   GLU  41          1HG       GLU  41  -5.808  -3.414  13.902
  448   2HG   GLU  41          2HG       GLU  41  -6.771  -3.727  12.456
  449    QB   GLU  41           QB       GLU  41  -6.514  -5.889  14.050
  450    QG   GLU  41           QG       GLU  41  -6.290  -3.571  13.179
  451    H    GLU  42           H        GLU  42  -3.079  -6.401  13.458
  452    HA   GLU  42           HA       GLU  42  -1.896  -3.766  13.269
  453   1HB   GLU  42          1HB       GLU  42  -1.076  -5.537  14.823
  454   2HB   GLU  42          2HB       GLU  42  -0.645  -6.519  13.433
  455   1HG   GLU  42          1HG       GLU  42   0.797  -4.256  12.833
  456   2HG   GLU  42          2HG       GLU  42   0.789  -4.171  14.584
  457    QB   GLU  42           QB       GLU  42  -0.861  -6.028  14.128
  458    QG   GLU  42           QG       GLU  42   0.793  -4.213  13.709
  459    H    LYS  43           H        LYS  43  -1.680  -6.764  11.393
  460    HA   LYS  43           HA       LYS  43   0.028  -5.875   9.384
  461   1HB   LYS  43          1HB       LYS  43  -1.615  -8.195  10.111
  462   2HB   LYS  43          2HB       LYS  43  -1.605  -8.018   8.387
  463   1HG   LYS  43          1HG       LYS  43   0.896  -7.993   8.397
  464   2HG   LYS  43          2HG       LYS  43   0.886  -7.931  10.162
  465   1HD   LYS  43          1HD       LYS  43   1.104 -10.162  10.135
  466   2HD   LYS  43          2HD       LYS  43  -0.608 -10.188   9.756
  467   1HE   LYS  43          1HE       LYS  43   0.292 -11.554   8.097
  468   2HE   LYS  43          2HE       LYS  43   0.129  -9.993   7.263
  469   1HZ   LYS  43          2HZ       LYS  43   2.476  -9.600   7.751
  470   2HZ   LYS  43          3HZ       LYS  43   2.595 -11.074   8.472
  471   3HZ   LYS  43          1HZ       LYS  43   2.298 -10.960   6.862
  472    QB   LYS  43           QB       LYS  43  -1.610  -8.106   9.249
  473    QG   LYS  43           QG       LYS  43   0.891  -7.962   9.280
  474    QD   LYS  43           QD       LYS  43   0.248 -10.175   9.946
  475    QE   LYS  43           QE       LYS  43   0.211 -10.773   7.680
  476    QZ   LYS  43           QZ       LYS  43   2.456 -10.545   7.695
  477    H    PHE  44           H        PHE  44  -3.489  -5.731   9.686
  478    HA   PHE  44           HA       PHE  44  -4.032  -4.789   7.071
  479   1HB   PHE  44          1HB       PHE  44  -5.645  -5.885   8.646
  480   2HB   PHE  44          2HB       PHE  44  -5.618  -4.449   9.648
  481    HD1  PHE  44          2HD       PHE  44  -6.618  -2.296   8.825
  482    HD2  PHE  44          1HD       PHE  44  -7.005  -6.001   6.661
  483    HE1  PHE  44          2HE       PHE  44  -8.519  -1.356   7.548
  484    HE2  PHE  44          1HE       PHE  44  -8.898  -5.043   5.363
  485   1HZ   PHE  44           HZ       PHE  44  -9.671  -2.728   5.821
  486    QB   PHE  44           QB       PHE  44  -5.632  -5.167   9.147
  487    QG   PHE  44           QD       PHE  44  -6.811  -4.149   7.743
  488    QZ   PHE  44           QE       PHE  44  -8.709  -3.200   6.456
  489    QZ   PHE  44           QR       PHE  44  -8.142  -3.485   6.844
  490    H    LYS  45           H        LYS  45  -3.542  -3.035  10.210
  491    HA   LYS  45           HA       LYS  45  -3.808  -0.484   8.920
  492   1HB   LYS  45          1HB       LYS  45  -3.145   0.581  10.923
  493   2HB   LYS  45          2HB       LYS  45  -4.264  -0.726  11.301
  494   1HG   LYS  45          1HG       LYS  45  -2.409  -2.131  12.025
  495   2HG   LYS  45          2HG       LYS  45  -1.231  -0.889  11.577
  496   1HD   LYS  45          1HD       LYS  45  -2.248   0.621  13.299
  497   2HD   LYS  45          2HD       LYS  45  -3.382  -0.670  13.720
  498   1HE   LYS  45          1HE       LYS  45  -1.583  -0.694  15.327
  499   2HE   LYS  45          2HE       LYS  45  -1.469  -2.150  14.342
  500   1HZ   LYS  45          3HZ       LYS  45   0.300  -0.982  13.052
  501   2HZ   LYS  45          1HZ       LYS  45   0.162   0.297  14.028
  502   3HZ   LYS  45          2HZ       LYS  45   0.693  -1.131  14.640
  503    QB   LYS  45           QB       LYS  45  -3.704  -0.073  11.112
  504    QG   LYS  45           QG       LYS  45  -1.820  -1.510  11.801
  505    QD   LYS  45           QD       LYS  45  -2.815  -0.024  13.509
  506    QE   LYS  45           QE       LYS  45  -1.526  -1.422  14.835
  507    QZ   LYS  45           QZ       LYS  45   0.385  -0.606  13.907
  508    H    GLU  46           H        GLU  46  -0.970  -2.669   9.241
  509    HA   GLU  46           HA       GLU  46   0.941  -0.844   8.418
  510   1HB   GLU  46          1HB       GLU  46   0.878  -3.379   9.313
  511   2HB   GLU  46          2HB       GLU  46   0.925  -3.786   7.616
  512   1HG   GLU  46          1HG       GLU  46   2.849  -1.730   8.588
  513   2HG   GLU  46          2HG       GLU  46   3.048  -3.338   9.234
  514    QB   GLU  46           QB       GLU  46   0.902  -3.582   8.464
  515    QG   GLU  46           QG       GLU  46   2.949  -2.534   8.911
  516    H    ILE  47           H        ILE  47  -1.058  -3.193   6.562
  517    HA   ILE  47           HA       ILE  47  -0.428  -2.205   3.951
  518    HB   ILE  47           HB       ILE  47  -2.968  -3.477   4.999
  519   1HG1  ILE  47          1HG1      ILE  47  -0.528  -4.480   3.516
  520   2HG1  ILE  47          2HG1      ILE  47  -1.089  -4.991   5.087
  521   1HG2  ILE  47          3HG2      ILE  47  -3.465  -2.085   2.960
  522   2HG2  ILE  47          1HG2      ILE  47  -2.186  -2.970   2.093
  523   3HG2  ILE  47          2HG2      ILE  47  -3.668  -3.788   2.660
  524   1HD1  ILE  47          3HD1      ILE  47  -3.090  -5.992   3.943
  525   2HD1  ILE  47          1HD1      ILE  47  -2.339  -5.571   2.393
  526   3HD1  ILE  47          2HD1      ILE  47  -1.513  -6.695   3.469
  527    QG1  ILE  47           QG1      ILE  47  -0.809  -4.736   4.301
  528    QG2  ILE  47           QG2      ILE  47  -3.106  -2.948   2.571
  529    QD1  ILE  47           QD1      ILE  47  -2.314  -6.086   3.268
  530    H    ALA  48           H        ALA  48  -2.785  -0.961   6.387
  531    HA   ALA  48           HA       ALA  48  -4.050   0.831   4.641
  532   1HB   ALA  48          2HB       ALA  48  -4.929   0.234   6.871
  533   2HB   ALA  48          3HB       ALA  48  -3.673   1.276   7.601
  534   3HB   ALA  48          1HB       ALA  48  -4.901   1.976   6.543
  535    QB   ALA  48           QB       ALA  48  -4.501   1.162   7.005
  536    H    GLU  49           H        GLU  49  -0.913   1.075   6.167
  537    HA   GLU  49           HA       GLU  49  -0.593   3.953   5.727
  538   1HB   GLU  49          1HB       GLU  49   0.667   2.470   7.389
  539   2HB   GLU  49          2HB       GLU  49   1.635   1.904   6.025
  540   1HG   GLU  49          1HG       GLU  49   2.375   4.204   5.555
  541   2HG   GLU  49          2HG       GLU  49   1.294   4.849   6.782
  542    QB   GLU  49           QB       GLU  49   1.151   2.187   6.707
  543    QG   GLU  49           QG       GLU  49   1.835   4.527   6.168
  544    H    ALA  50           H        ALA  50   0.266   0.929   3.996
  545    HA   ALA  50           HA       ALA  50   1.577   2.273   1.790
  546   1HB   ALA  50          1HB       ALA  50   1.997  -0.080   2.396
  547   2HB   ALA  50          2HB       ALA  50   0.326  -0.507   1.974
  548   3HB   ALA  50          3HB       ALA  50   1.427   0.081   0.719
  549    QB   ALA  50           QB       ALA  50   1.250  -0.169   1.696
  550    H    TYR  51           H        TYR  51  -1.693   1.247   2.528
  551    HA   TYR  51           HA       TYR  51  -3.089   1.450   0.088
  552   1HB   TYR  51          1HB       TYR  51  -3.624   0.710   2.616
  553   2HB   TYR  51          2HB       TYR  51  -4.292   2.305   2.752
  554    HD1  TYR  51          1HD       TYR  51  -4.395  -0.959   1.024
  555    HD2  TYR  51          2HD       TYR  51  -6.617   2.556   2.179
  556    HE1  TYR  51          1HE       TYR  51  -6.490  -2.164   0.599
  557    HE2  TYR  51          2HE       TYR  51  -8.733   1.333   1.824
  558    HH   TYR  51           HH       TYR  51  -9.393  -1.192   1.911
  559    QB   TYR  51           QB       TYR  51  -3.958   1.508   2.684
  560    QG   TYR  51           QD       TYR  51  -5.506   0.799   1.601
  561    QZ   TYR  51           QE       TYR  51  -7.611  -0.415   1.211
  562    QR   TYR  51           QR       TYR  51  -6.559   0.192   1.406
  563    H    ASP  52           H        ASP  52  -2.727   3.785   2.781
  564    HA   ASP  52           HA       ASP  52  -3.830   6.069   1.595
  565   1HB   ASP  52          1HB       ASP  52  -3.335   5.779   3.988
  566   2HB   ASP  52          2HB       ASP  52  -1.600   5.880   3.663
  567    QB   ASP  52           QB       ASP  52  -2.467   5.829   3.825
  568    H    VAL  53           H        VAL  53  -0.383   5.079   1.802
  569    HA   VAL  53           HA       VAL  53   0.680   7.277   0.438
  570    HB   VAL  53           HB       VAL  53   1.593   4.379   0.752
  571   1HG1  VAL  53          1HG1      VAL  53   3.119   6.692  -0.499
  572   2HG1  VAL  53          2HG1      VAL  53   3.883   5.184   0.096
  573   3HG1  VAL  53          3HG1      VAL  53   2.737   5.128  -1.230
  574   1HG2  VAL  53          3HG2      VAL  53   1.463   6.064   2.738
  575   2HG2  VAL  53          1HG2      VAL  53   2.963   5.149   2.478
  576   3HG2  VAL  53          2HG2      VAL  53   2.833   6.836   1.937
  577    QG1  VAL  53           QG1      VAL  53   3.246   5.668  -0.544
  578    QG2  VAL  53           QG2      VAL  53   2.419   6.016   2.385
  579    QQG  VAL  53           QQG      VAL  53   2.833   5.842   0.920
  580    H    LEU  54           H        LEU  54  -0.173   4.030  -0.897
  581    HA   LEU  54           HA       LEU  54   0.800   4.701  -3.507
  582   1HB   LEU  54          1HB       LEU  54  -0.677   2.413  -2.325
  583   2HB   LEU  54          2HB       LEU  54  -0.842   2.756  -4.004
  584    HG   LEU  54           HG       LEU  54   1.469   2.583  -4.499
  585   1HD1  LEU  54          3HD1      LEU  54   1.919   2.164  -1.522
  586   2HD1  LEU  54          1HD1      LEU  54   3.112   1.774  -2.784
  587   3HD1  LEU  54          2HD1      LEU  54   2.593   3.439  -2.562
  588   1HD2  LEU  54          2HD2      LEU  54  -0.017   0.507  -4.261
  589   2HD2  LEU  54          3HD2      LEU  54   1.724   0.229  -4.187
  590   3HD2  LEU  54          1HD2      LEU  54   0.779   0.264  -2.690
  591    QB   LEU  54           QB       LEU  54  -0.759   2.585  -3.164
  592    QD1  LEU  54           QD1      LEU  54   2.542   2.459  -2.289
  593    QD2  LEU  54           QD2      LEU  54   0.829   0.333  -3.713
  594    QQD  LEU  54           QQD      LEU  54   1.685   1.396  -3.001
  595    H    SER  55           H        SER  55  -2.235   5.431  -1.907
  596    HA   SER  55           HA       SER  55  -3.495   6.212  -4.454
  597   1HB   SER  55          1HB       SER  55  -5.394   6.806  -3.094
  598   2HB   SER  55          2HB       SER  55  -4.847   5.172  -2.743
  599    HG   SER  55           HG       SER  55  -3.615   6.592  -0.939
  600    QB   SER  55           QB       SER  55  -5.120   5.989  -2.918
  601    H    ASP  56           H        ASP  56  -1.692   7.827  -1.814
  602    HA   ASP  56           HA       ASP  56  -2.660  10.455  -2.759
  603   1HB   ASP  56          1HB       ASP  56  -2.937  10.280  -0.443
  604   2HB   ASP  56          2HB       ASP  56  -1.300   9.631  -0.209
  605    QB   ASP  56           QB       ASP  56  -2.118   9.956  -0.326
  606    HA   PRO  57           HA       PRO  57   1.368  10.408  -4.828
  607   1HB   PRO  57          1HB       PRO  57   1.096  12.710  -6.297
  608   2HB   PRO  57          2HB       PRO  57   0.398  11.130  -6.771
  609   1HG   PRO  57          1HG       PRO  57  -0.955  13.426  -5.318
  610   2HG   PRO  57          2HG       PRO  57  -1.565  12.493  -6.726
  611   1HD   PRO  57          1HD       PRO  57  -2.335  11.927  -4.199
  612   2HD   PRO  57          2HD       PRO  57  -2.047  10.607  -5.374
  613    QB   PRO  57           QB       PRO  57   0.747  11.920  -6.534
  614    QG   PRO  57           QG       PRO  57  -1.260  12.959  -6.022
  615    QD   PRO  57           QD       PRO  57  -2.191  11.267  -4.787
  616    H    ARG  58           H        ARG  58   0.198  12.641  -2.390
  617    HA   ARG  58           HA       ARG  58   2.666  14.264  -2.471
  618   1HB   ARG  58          1HB       ARG  58   0.188  14.237  -0.742
  619   2HB   ARG  58          2HB       ARG  58   1.665  14.981  -0.139
  620   1HG   ARG  58          1HG       ARG  58   0.111  16.559  -1.261
  621   2HG   ARG  58          2HG       ARG  58   1.750  16.552  -1.925
  622   1HD   ARG  58          1HD       ARG  58   1.032  15.287  -3.878
  623   2HD   ARG  58          2HD       ARG  58  -0.572  15.023  -3.159
  624    HE   ARG  58           HE       ARG  58  -1.215  17.144  -3.667
  625   1HH1  ARG  58          2HH2      ARG  58   2.306  16.927  -4.446
  626   2HH1  ARG  58          1HH2      ARG  58   2.323  18.458  -5.221
  627   1HH2  ARG  58          2HH1      ARG  58  -1.127  19.126  -4.520
  628   2HH2  ARG  58          1HH1      ARG  58   0.380  19.871  -5.048
  629    QB   ARG  58           QB       ARG  58   0.927  14.609  -0.440
  630    QG   ARG  58           QG       ARG  58   0.930  16.556  -1.593
  631    QD   ARG  58           QD       ARG  58   0.230  15.155  -3.518
  632    QH1  ARG  58           QH2      ARG  58   2.314  17.693  -4.833
  633    QH2  ARG  58           QH1      ARG  58  -0.373  19.499  -4.784
  634    H    LYS  59           H        LYS  59   1.291  11.651  -0.357
  635    HA   LYS  59           HA       LYS  59   3.818  11.430   1.076
  636   1HB   LYS  59          1HB       LYS  59   1.346  10.518   1.573
  637   2HB   LYS  59          2HB       LYS  59   1.919   9.088   0.746
  638   1HG   LYS  59          1HG       LYS  59   2.781  10.312   3.355
  639   2HG   LYS  59          2HG       LYS  59   2.102   8.742   3.067
  640   1HD   LYS  59          1HD       LYS  59   4.204   8.129   3.535
  641   2HD   LYS  59          2HD       LYS  59   4.457   8.347   1.800
  642   1HE   LYS  59          1HE       LYS  59   5.531  10.463   2.130
  643   2HE   LYS  59          2HE       LYS  59   4.849  10.635   3.756
  644   1HZ   LYS  59          3HZ       LYS  59   6.230   8.865   4.522
  645   2HZ   LYS  59          1HZ       LYS  59   6.915   8.678   3.034
  646   3HZ   LYS  59          2HZ       LYS  59   7.149  10.070   3.862
  647    QB   LYS  59           QB       LYS  59   1.633   9.803   1.160
  648    QG   LYS  59           QG       LYS  59   2.442   9.527   3.211
  649    QD   LYS  59           QD       LYS  59   4.330   8.238   2.667
  650    QE   LYS  59           QE       LYS  59   5.190  10.549   2.943
  651    QZ   LYS  59           QZ       LYS  59   6.765   9.204   3.806
  652    H    ARG  60           H        ARG  60   2.292   9.752  -1.736
  653    HA   ARG  60           HA       ARG  60   4.574   8.169  -2.189
  654   1HB   ARG  60          1HB       ARG  60   2.053   8.368  -3.375
  655   2HB   ARG  60          2HB       ARG  60   3.123   8.923  -4.662
  656   1HG   ARG  60          1HG       ARG  60   4.465   6.858  -4.446
  657   2HG   ARG  60          2HG       ARG  60   3.523   6.419  -3.007
  658   1HD   ARG  60          1HD       ARG  60   2.577   5.086  -4.583
  659   2HD   ARG  60          2HD       ARG  60   1.465   6.470  -4.542
  660    HE   ARG  60           HE       ARG  60   3.636   6.573  -6.572
  661   1HH1  ARG  60          2HH2      ARG  60   0.181   5.620  -6.078
  662   2HH1  ARG  60          1HH2      ARG  60  -0.091   5.529  -7.766
  663   1HH2  ARG  60          2HH1      ARG  60   3.268   6.309  -8.629
  664   2HH2  ARG  60          1HH1      ARG  60   1.780   5.673  -9.292
  665    QB   ARG  60           QB       ARG  60   2.588   8.646  -4.018
  666    QG   ARG  60           QG       ARG  60   3.994   6.639  -3.727
  667    QD   ARG  60           QD       ARG  60   2.021   5.778  -4.562
  668    QH1  ARG  60           QH2      ARG  60   0.045   5.574  -6.922
  669    QH2  ARG  60           QH1      ARG  60   2.524   5.991  -8.960
  670    H    GLU  61           H        GLU  61   4.502  11.702  -2.502
  671    HA   GLU  61           HA       GLU  61   5.554  11.778  -5.050
  672   1HB   GLU  61          1HB       GLU  61   4.662  13.587  -3.208
  673   2HB   GLU  61          2HB       GLU  61   6.358  13.849  -2.980
  674   1HG   GLU  61          1HG       GLU  61   6.584  14.531  -5.315
  675   2HG   GLU  61          2HG       GLU  61   4.981  13.909  -5.711
  676    QB   GLU  61           QB       GLU  61   5.510  13.718  -3.094
  677    QG   GLU  61           QG       GLU  61   5.783  14.220  -5.513
  678    H    ILE  62           H        ILE  62   7.289  11.611  -1.914
  679    HA   ILE  62           HA       ILE  62   9.899  11.558  -3.273
  680    HB   ILE  62           HB       ILE  62   9.170  10.777  -0.410
  681   1HG1  ILE  62          1HG1      ILE  62  10.123  13.401  -1.647
  682   2HG1  ILE  62          2HG1      ILE  62   8.579  13.110  -0.855
  683   1HG2  ILE  62          3HG2      ILE  62  11.359   9.830  -1.194
  684   2HG2  ILE  62          1HG2      ILE  62  11.894  11.474  -1.609
  685   3HG2  ILE  62          2HG2      ILE  62  11.566  11.010   0.072
  686   1HD1  ILE  62          1HD1      ILE  62   9.768  12.724   1.303
  687   2HD1  ILE  62          2HD1      ILE  62  11.289  13.180   0.502
  688   3HD1  ILE  62          3HD1      ILE  62   9.987  14.358   0.626
  689    QG1  ILE  62           QG1      ILE  62   9.351  13.256  -1.251
  690    QG2  ILE  62           QG2      ILE  62  11.606  10.771  -0.910
  691    QD1  ILE  62           QD1      ILE  62  10.348  13.421   0.810
  692    H    PHE  63           H        PHE  63   7.448   9.215  -2.313
  693    HA   PHE  63           HA       PHE  63   9.157   6.916  -2.448
  694   1HB   PHE  63          1HB       PHE  63   6.808   7.239  -1.323
  695   2HB   PHE  63          2HB       PHE  63   6.170   6.916  -2.930
  696    HD1  PHE  63          1HD       PHE  63   8.906   5.496  -0.806
  697    HD2  PHE  63          2HD       PHE  63   5.388   4.688  -3.156
  698    HE1  PHE  63          1HE       PHE  63   9.063   3.127  -0.183
  699    HE2  PHE  63          2HE       PHE  63   5.549   2.304  -2.552
  700   1HZ   PHE  63           HZ       PHE  63   7.354   1.520  -1.013
  701    QB   PHE  63           QB       PHE  63   6.489   7.078  -2.127
  702    QG   PHE  63           QD       PHE  63   7.147   5.092  -1.981
  703    QZ   PHE  63           QE       PHE  63   7.306   2.716  -1.368
  704    QZ   PHE  63           QR       PHE  63   7.252   3.427  -1.542
  705    H    ASP  64           H        ASP  64   7.146   8.597  -4.803
  706    HA   ASP  64           HA       ASP  64   7.208   6.627  -6.869
  707   1HB   ASP  64          1HB       ASP  64   5.479   8.569  -6.335
  708   2HB   ASP  64          2HB       ASP  64   6.553   9.572  -7.292
  709    QB   ASP  64           QB       ASP  64   6.016   9.071  -6.814
  710    H    ARG  65           H        ARG  65   8.930   9.768  -6.260
  711    HA   ARG  65           HA       ARG  65  10.343   9.774  -8.660
  712   1HB   ARG  65          1HB       ARG  65  11.485  11.525  -7.845
  713   2HB   ARG  65          2HB       ARG  65   9.932  11.653  -7.040
  714   1HG   ARG  65          1HG       ARG  65  11.073  10.734  -4.983
  715   2HG   ARG  65          2HG       ARG  65  12.606  10.816  -5.863
  716   1HD   ARG  65          1HD       ARG  65  12.346  12.749  -4.392
  717   2HD   ARG  65          2HD       ARG  65  12.372  13.248  -6.091
  718    HE   ARG  65           HE       ARG  65   9.722  13.031  -5.702
  719   1HH1  ARG  65          2HH2      ARG  65  12.117  14.825  -3.649
  720   2HH1  ARG  65          1HH2      ARG  65  10.910  15.961  -3.176
  721   1HH2  ARG  65          2HH1      ARG  65   8.389  14.641  -5.235
  722   2HH2  ARG  65          1HH1      ARG  65   8.778  15.911  -4.104
  723    QB   ARG  65           QB       ARG  65  10.708  11.589  -7.442
  724    QG   ARG  65           QG       ARG  65  11.840  10.775  -5.423
  725    QD   ARG  65           QD       ARG  65  12.359  12.999  -5.241
  726    QH1  ARG  65           QH2      ARG  65  11.513  15.393  -3.412
  727    QH2  ARG  65           QH1      ARG  65   8.583  15.276  -4.670
  728    H    TYR  66           H        TYR  66  11.261   8.416  -5.527
  729    HA   TYR  66           HA       TYR  66  13.750   7.298  -6.699
  730   1HB   TYR  66          1HB       TYR  66  12.690   7.280  -3.856
  731   2HB   TYR  66          2HB       TYR  66  14.198   6.553  -4.377
  732    HD1  TYR  66          1HD       TYR  66  15.938   8.021  -5.587
  733    HD2  TYR  66          2HD       TYR  66  12.706   9.603  -3.197
  734    HE1  TYR  66          1HE       TYR  66  17.179  10.130  -5.292
  735    HE2  TYR  66          2HE       TYR  66  14.003  11.650  -2.787
  736    HH   TYR  66           HH       TYR  66  16.348  12.341  -2.791
  737    QB   TYR  66           QB       TYR  66  13.444   6.917  -4.117
  738    QG   TYR  66           QD       TYR  66  14.322   8.812  -4.392
  739    QZ   TYR  66           QE       TYR  66  15.591  10.890  -4.039
  740    QR   TYR  66           QR       TYR  66  14.956   9.851  -4.216
  741    H    GLY  67           H        GLY  67  10.601   5.955  -5.604
  742   1HA   GLY  67          1HA       GLY  67   9.663   3.933  -5.892
  743   2HA   GLY  67          2HA       GLY  67  10.932   3.511  -7.022
  744    QA   GLY  67           QA       GLY  67  10.298   3.722  -6.457
  745    H    GLU  68           H        GLU  68   9.828   3.175  -3.735
  746    HA   GLU  68           HA       GLU  68  10.748   2.499  -1.806
  747   1HB   GLU  68          1HB       GLU  68  11.431   0.053  -3.465
  748   2HB   GLU  68          2HB       GLU  68  10.907   0.228  -1.783
  749   1HG   GLU  68          1HG       GLU  68   8.700   1.107  -2.789
  750   2HG   GLU  68          2HG       GLU  68   9.241   0.309  -4.256
  751    QB   GLU  68           QB       GLU  68  11.169   0.140  -2.624
  752    QG   GLU  68           QG       GLU  68   8.970   0.708  -3.522
  753    H    GLU  69           H        GLU  69  12.572   4.175  -2.751
  754    HA   GLU  69           HA       GLU  69  15.031   3.058  -1.536
  755   1HB   GLU  69          1HB       GLU  69  14.749   3.505  -4.326
  756   2HB   GLU  69          2HB       GLU  69  15.639   4.906  -3.750
  757   1HG   GLU  69          1HG       GLU  69  16.354   2.019  -3.119
  758   2HG   GLU  69          2HG       GLU  69  17.023   2.932  -4.474
  759    QB   GLU  69           QB       GLU  69  15.194   4.205  -4.038
  760    QG   GLU  69           QG       GLU  69  16.689   2.475  -3.797
  761    H    GLY  70           H        GLY  70  12.855   5.737  -2.107
  762   1HA   GLY  70          1HA       GLY  70  14.746   7.737  -1.093
  763   2HA   GLY  70          2HA       GLY  70  13.196   7.997  -1.849
  764    QA   GLY  70           QA       GLY  70  13.971   7.867  -1.471
  765    H    LEU  71           H        LEU  71  12.411   5.725   0.452
  766    HA   LEU  71           HA       LEU  71  10.899   7.891   1.669
  767   1HB   LEU  71          1HB       LEU  71  10.205   5.462   0.840
  768   2HB   LEU  71          2HB       LEU  71  10.573   4.994   2.464
  769    HG   LEU  71           HG       LEU  71   8.218   5.448   2.074
  770   1HD1  LEU  71          1HD1      LEU  71   9.152   5.839   4.350
  771   2HD1  LEU  71          2HD1      LEU  71   9.272   7.569   3.989
  772   3HD1  LEU  71          3HD1      LEU  71   7.689   6.749   4.031
  773   1HD2  LEU  71          1HD2      LEU  71   8.595   7.353   0.391
  774   2HD2  LEU  71          2HD2      LEU  71   7.240   7.514   1.503
  775   3HD2  LEU  71          3HD2      LEU  71   8.749   8.427   1.780
  776    QB   LEU  71           QB       LEU  71  10.389   5.228   1.652
  777    QD1  LEU  71           QD1      LEU  71   8.704   6.719   4.123
  778    QD2  LEU  71           QD2      LEU  71   8.195   7.765   1.225
  779    QQD  LEU  71           QQD      LEU  71   8.450   7.242   2.674
  780    H    LYS  72           H        LYS  72  13.308   8.478   2.477
  781    HA   LYS  72           HA       LYS  72  13.802   7.392   5.172
  782   1HB   LYS  72          1HB       LYS  72  15.490   8.296   3.320
  783   2HB   LYS  72          2HB       LYS  72  15.227   9.833   4.113
  784   1HG   LYS  72          1HG       LYS  72  16.025   7.235   5.551
  785   2HG   LYS  72          2HG       LYS  72  17.200   8.330   4.849
  786   1HD   LYS  72          1HD       LYS  72  15.301   9.073   7.118
  787   2HD   LYS  72          2HD       LYS  72  17.012   8.630   7.271
  788   1HE   LYS  72          1HE       LYS  72  17.582  10.499   5.693
  789   2HE   LYS  72          2HE       LYS  72  15.887  11.014   5.737
  790   1HZ   LYS  72          1HZ       LYS  72  17.654  10.870   8.119
  791   2HZ   LYS  72          2HZ       LYS  72  17.354  12.209   7.234
  792   3HZ   LYS  72          3HZ       LYS  72  16.137  11.473   8.076
  793    QB   LYS  72           QB       LYS  72  15.358   9.064   3.717
  794    QG   LYS  72           QG       LYS  72  16.612   7.782   5.200
  795    QD   LYS  72           QD       LYS  72  16.157   8.852   7.194
  796    QE   LYS  72           QE       LYS  72  16.735  10.756   5.715
  797    QZ   LYS  72           QZ       LYS  72  17.048  11.517   7.810
  798    H    GLY  73           H        GLY  73  11.249   8.203   4.915
  799   1HA   GLY  73          1HA       GLY  73  10.765  10.833   6.163
  800   2HA   GLY  73          2HA       GLY  73   9.569   9.593   5.767
  801    QA   GLY  73           QA       GLY  73  10.167  10.213   5.965
  802    H    SER  74           H        SER  74  11.871   7.762   7.127
  803    HA   SER  74           HA       SER  74  11.938   8.640   9.835
  804   1HB   SER  74          1HB       SER  74  10.866   5.867   9.116
  805   2HB   SER  74          2HB       SER  74  11.305   6.417  10.748
  806    HG   SER  74           HG       SER  74   9.636   8.167   9.500
  807    QB   SER  74           QB       SER  74  11.086   6.142   9.932
  808    H    GLY  75           H        GLY  75  13.724   7.060  10.863
  809   1HA   GLY  75          1HA       GLY  75  15.785   5.787  10.037
  810   2HA   GLY  75          2HA       GLY  75  15.863   7.046   8.798
  811    QA   GLY  75           QA       GLY  75  15.824   6.417   9.418
  812    H    CYS  76           H        CYS  76  17.926   7.612   9.746
  813    HA   CYS  76           HA       CYS  76  18.198   8.696  12.418
  814   1HB   CYS  76          1HB       CYS  76  19.971   9.061   9.964
  815   2HB   CYS  76          2HB       CYS  76  20.403   9.370  11.650
  816    HG   CYS  76           HG       CYS  76  21.627   7.258  11.195
  817    QB   CYS  76           QB       CYS  76  20.187   9.215  10.807
   
  No H/Q in entry =         817
  Start of MODEL    5
    1    H    MET   0           H        MET   0  12.825  -7.246   6.620
    2    HA   MET   0           HA       MET   0  11.579  -7.321   4.425
    3   1HB   MET   0          1HB       MET   0  11.700  -9.555   6.457
    4   2HB   MET   0          2HB       MET   0  10.589  -9.804   5.111
    5   1HG   MET   0          1HG       MET   0  12.362  -9.415   3.481
    6   2HG   MET   0          2HG       MET   0  13.500  -9.065   4.776
    7   1HE   MET   0          2HE       MET   0  11.609 -11.705   2.683
    8   2HE   MET   0          3HE       MET   0  11.849 -13.207   3.600
    9   3HE   MET   0          1HE       MET   0  10.771 -11.952   4.238
   10    QB   MET   0           QB       MET   0  11.145  -9.680   5.784
   11    QG   MET   0           QG       MET   0  12.931  -9.240   4.129
   12    QE   MET   0           QE       MET   0  11.410 -12.288   3.507
   13    H    GLY   1           H        GLY   1   9.760  -7.876   3.324
   14   1HA   GLY   1          1HA       GLY   1   7.529  -7.722   2.827
   15   2HA   GLY   1          2HA       GLY   1   7.127  -7.614   4.547
   16    QA   GLY   1           QA       GLY   1   7.328  -7.668   3.687
   17    H    LYS   2           H        LYS   2   8.941  -5.486   5.140
   18    HA   LYS   2           HA       LYS   2   7.070  -3.358   4.783
   19   1HB   LYS   2          1HB       LYS   2   8.716  -3.899   6.715
   20   2HB   LYS   2          2HB       LYS   2   9.939  -3.020   5.815
   21   1HG   LYS   2          1HG       LYS   2   7.371  -1.559   6.159
   22   2HG   LYS   2          2HG       LYS   2   8.148  -2.035   7.654
   23   1HD   LYS   2          1HD       LYS   2   8.782   0.211   7.145
   24   2HD   LYS   2          2HD       LYS   2  10.178  -0.843   7.074
   25   1HE   LYS   2          1HE       LYS   2  10.358   0.682   5.246
   26   2HE   LYS   2          2HE       LYS   2   9.991  -0.894   4.571
   27   1HZ   LYS   2          1HZ       LYS   2   7.637  -0.122   4.385
   28   2HZ   LYS   2          2HZ       LYS   2   8.100   1.348   4.950
   29   3HZ   LYS   2          3HZ       LYS   2   8.731   0.811   3.546
   30    QB   LYS   2           QB       LYS   2   9.328  -3.459   6.265
   31    QG   LYS   2           QG       LYS   2   7.759  -1.797   6.907
   32    QD   LYS   2           QD       LYS   2   9.480  -0.316   7.110
   33    QE   LYS   2           QE       LYS   2  10.175  -0.106   4.908
   34    QZ   LYS   2           QZ       LYS   2   8.156   0.679   4.293
   35    H    ASP   3           H        ASP   3   6.820  -2.637   2.709
   36    HA   ASP   3           HA       ASP   3   8.703  -0.903   1.351
   37   1HB   ASP   3          1HB       ASP   3   9.878  -2.897   0.768
   38   2HB   ASP   3          2HB       ASP   3   8.406  -3.735   0.312
   39    QB   ASP   3           QB       ASP   3   9.142  -3.316   0.540
   40    H    TYR   4           H        TYR   4   6.026  -0.811   2.362
   41    HA   TYR   4           HA       TYR   4   3.911  -0.349   1.912
   42   1HB   TYR   4          1HB       TYR   4   5.242   1.506  -0.074
   43   2HB   TYR   4          2HB       TYR   4   3.660   1.717   0.648
   44    HD1  TYR   4          1HD       TYR   4   3.412   2.265   3.099
   45    HD2  TYR   4          2HD       TYR   4   7.292   1.978   1.209
   46    HE1  TYR   4          1HE       TYR   4   4.444   3.425   5.019
   47    HE2  TYR   4          2HE       TYR   4   8.297   3.209   3.075
   48    HH   TYR   4           HH       TYR   4   6.602   3.718   6.085
   49    QB   TYR   4           QB       TYR   4   4.451   1.611   0.287
   50    QG   TYR   4           QD       TYR   4   5.352   2.121   2.154
   51    QZ   TYR   4           QE       TYR   4   6.370   3.317   4.047
   52    QR   TYR   4           QR       TYR   4   5.861   2.719   3.101
   53    H    TYR   5           H        TYR   5   5.056  -0.182  -1.493
   54    HA   TYR   5           HA       TYR   5   2.686  -1.028  -2.824
   55   1HB   TYR   5          1HB       TYR   5   5.667  -1.122  -3.397
   56   2HB   TYR   5          2HB       TYR   5   4.512  -1.872  -4.469
   57    HD1  TYR   5          1HD       TYR   5   5.009   1.499  -2.779
   58    HD2  TYR   5          2HD       TYR   5   3.895  -0.672  -6.335
   59    HE1  TYR   5          1HE       TYR   5   4.830   3.612  -4.017
   60    HE2  TYR   5          2HE       TYR   5   3.843   1.447  -7.618
   61    HH   TYR   5           HH       TYR   5   4.471   3.701  -7.566
   62    QB   TYR   5           QB       TYR   5   5.090  -1.497  -3.933
   63    QG   TYR   5           QD       TYR   5   4.452   0.413  -4.557
   64    QZ   TYR   5           QE       TYR   5   4.337   2.529  -5.818
   65    QR   TYR   5           QR       TYR   5   4.394   1.471  -5.188
   66    H    GLN   6           H        GLN   6   5.544  -2.814  -1.564
   67    HA   GLN   6           HA       GLN   6   4.562  -5.360  -2.344
   68   1HB   GLN   6          1HB       GLN   6   6.865  -4.283  -1.064
   69   2HB   GLN   6          2HB       GLN   6   6.259  -5.465   0.079
   70   1HG   GLN   6          1HG       GLN   6   6.992  -5.943  -2.835
   71   2HG   GLN   6          2HG       GLN   6   7.968  -6.369  -1.426
   72   1HE2  GLN   6          2HE2      GLN   6   6.156  -9.413  -2.700
   73   2HE2  GLN   6          1HE2      GLN   6   7.149  -8.171  -3.462
   74    QB   GLN   6           QB       GLN   6   6.562  -4.874  -0.493
   75    QG   GLN   6           QG       GLN   6   7.480  -6.156  -2.130
   76    QE2  GLN   6           QE2      GLN   6   6.652  -8.792  -3.081
   77    H    THR   7           H        THR   7   4.272  -3.614   0.840
   78    HA   THR   7           HA       THR   7   2.846  -5.621   2.167
   79    HB   THR   7           HB       THR   7   2.711  -2.581   2.362
   80    HG1  THR   7          1HG       THR   7   4.255  -3.834   4.200
   81   1HG2  THR   7          2HG2      THR   7   2.030  -4.663   4.451
   82   2HG2  THR   7          3HG2      THR   7   2.144  -2.894   4.698
   83   3HG2  THR   7          1HG2      THR   7   0.914  -3.563   3.640
   84    QG2  THR   7           QG2      THR   7   1.696  -3.707   4.263
   85    H    LEU   8           H        LEU   8   1.797  -3.292  -0.193
   86    HA   LEU   8           HA       LEU   8  -1.057  -3.825   0.199
   87   1HB   LEU   8          1HB       LEU   8   0.122  -1.641  -0.487
   88   2HB   LEU   8          2HB       LEU   8   0.263  -2.329  -2.083
   89    HG   LEU   8           HG       LEU   8  -1.567  -0.711  -1.790
   90   1HD1  LEU   8          1HD1      LEU   8  -1.684  -2.736  -3.393
   91   2HD1  LEU   8          2HD1      LEU   8  -2.977  -3.292  -2.327
   92   3HD1  LEU   8          3HD1      LEU   8  -3.108  -1.725  -3.149
   93   1HD2  LEU   8          1HD2      LEU   8  -2.174  -1.234   0.552
   94   2HD2  LEU   8          2HD2      LEU   8  -3.551  -1.107  -0.560
   95   3HD2  LEU   8          3HD2      LEU   8  -3.001  -2.704  -0.032
   96    QB   LEU   8           QB       LEU   8   0.192  -1.985  -1.285
   97    QD1  LEU   8           QD1      LEU   8  -2.590  -2.585  -2.957
   98    QD2  LEU   8           QD2      LEU   8  -2.909  -1.682  -0.013
   99    QQD  LEU   8           QQD      LEU   8  -2.749  -2.133  -1.485
  100    H    GLY   9           H        GLY   9   1.536  -5.328  -1.454
  101   1HA   GLY   9          1HA       GLY   9   1.160  -7.645  -1.926
  102   2HA   GLY   9          2HA       GLY   9  -0.361  -7.244  -2.720
  103    QA   GLY   9           QA       GLY   9   0.400  -7.445  -2.323
  104    H    LEU  10           H        LEU  10   2.500  -5.255  -3.358
  105    HA   LEU  10           HA       LEU  10   2.355  -6.164  -6.199
  106   1HB   LEU  10          1HB       LEU  10   2.642  -3.397  -4.992
  107   2HB   LEU  10          2HB       LEU  10   2.579  -3.744  -6.695
  108    HG   LEU  10           HG       LEU  10   0.225  -4.597  -5.002
  109   1HD1  LEU  10          1HD1      LEU  10   0.807  -1.797  -5.984
  110   2HD1  LEU  10          2HD1      LEU  10  -0.745  -2.397  -5.351
  111   3HD1  LEU  10          3HD1      LEU  10   0.677  -2.356  -4.302
  112   1HD2  LEU  10          3HD2      LEU  10   0.666  -3.804  -7.915
  113   2HD2  LEU  10          1HD2      LEU  10   0.121  -5.356  -7.253
  114   3HD2  LEU  10          2HD2      LEU  10  -0.930  -3.945  -7.181
  115    QB   LEU  10           QB       LEU  10   2.611  -3.570  -5.844
  116    QD1  LEU  10           QD1      LEU  10   0.246  -2.184  -5.212
  117    QD2  LEU  10           QD2      LEU  10  -0.048  -4.368  -7.450
  118    QQD  LEU  10           QQD      LEU  10   0.099  -3.276  -6.331
  119    H    ALA  11           H        ALA  11   4.180  -4.454  -7.262
  120    HA   ALA  11           HA       ALA  11   6.784  -4.798  -5.908
  121   1HB   ALA  11          1HB       ALA  11   6.657  -6.267  -7.920
  122   2HB   ALA  11          2HB       ALA  11   6.219  -4.839  -8.905
  123   3HB   ALA  11          3HB       ALA  11   7.813  -4.928  -8.144
  124    QB   ALA  11           QB       ALA  11   6.897  -5.345  -8.323
  125    H    ARG  12           H        ARG  12   8.243  -3.090  -6.671
  126    HA   ARG  12           HA       ARG  12   7.243  -0.420  -7.113
  127   1HB   ARG  12          1HB       ARG  12   9.923  -1.691  -7.905
  128   2HB   ARG  12          2HB       ARG  12   9.514   0.015  -8.035
  129   1HG   ARG  12          1HG       ARG  12  10.727  -0.038  -6.082
  130   2HG   ARG  12          2HG       ARG  12   9.064  -0.050  -5.490
  131   1HD   ARG  12          1HD       ARG  12   9.202  -2.475  -5.082
  132   2HD   ARG  12          2HD       ARG  12  10.821  -2.531  -5.775
  133    HE   ARG  12           HE       ARG  12   9.977  -1.635  -3.135
  134   1HH1  ARG  12          2HH2      ARG  12  12.737  -1.643  -5.404
  135   2HH1  ARG  12          1HH2      ARG  12  13.837  -1.038  -4.209
  136   1HH2  ARG  12          2HH1      ARG  12  11.318  -0.852  -1.703
  137   2HH2  ARG  12          1HH1      ARG  12  13.052  -0.688  -1.936
  138    QB   ARG  12           QB       ARG  12   9.718  -0.838  -7.970
  139    QG   ARG  12           QG       ARG  12   9.895  -0.044  -5.786
  140    QD   ARG  12           QD       ARG  12  10.011  -2.503  -5.429
  141    QH1  ARG  12           QH2      ARG  12  13.287  -1.341  -4.806
  142    QH2  ARG  12           QH1      ARG  12  12.185  -0.770  -1.820
  143    H    GLY  13           H        GLY  13   6.314   0.286  -8.868
  144   1HA   GLY  13          1HA       GLY  13   6.310   0.619 -11.279
  145   2HA   GLY  13          2HA       GLY  13   6.609  -1.106 -11.502
  146    QA   GLY  13           QA       GLY  13   6.460  -0.244 -11.391
  147    H    ALA  14           H        ALA  14   4.381  -0.941  -9.010
  148    HA   ALA  14           HA       ALA  14   2.153  -1.823 -10.523
  149   1HB   ALA  14          3HB       ALA  14   2.505  -2.157  -8.087
  150   2HB   ALA  14          1HB       ALA  14   2.142  -0.439  -7.816
  151   3HB   ALA  14          2HB       ALA  14   0.896  -1.508  -8.473
  152    QB   ALA  14           QB       ALA  14   1.848  -1.368  -8.125
  153    H    SER  15           H        SER  15   0.819  -0.695 -11.872
  154    HA   SER  15           HA       SER  15   0.892   2.234 -11.912
  155   1HB   SER  15          1HB       SER  15  -0.497   2.063 -13.836
  156   2HB   SER  15          2HB       SER  15   0.664   0.747 -13.984
  157    HG   SER  15           HG       SER  15  -2.033   0.728 -13.764
  158    QB   SER  15           QB       SER  15   0.083   1.405 -13.910
  159    H    ASP  16           H        ASP  16  -1.320   3.348 -11.942
  160    HA   ASP  16           HA       ASP  16  -2.223   3.293  -9.344
  161   1HB   ASP  16          1HB       ASP  16  -3.791   4.977  -9.944
  162   2HB   ASP  16          2HB       ASP  16  -2.359   5.223 -10.941
  163    QB   ASP  16           QB       ASP  16  -3.075   5.100 -10.442
  164    H    GLU  17           H        GLU  17  -3.623   1.492 -12.108
  165    HA   GLU  17           HA       GLU  17  -5.991   0.778 -10.487
  166   1HB   GLU  17          1HB       GLU  17  -5.731   1.134 -13.196
  167   2HB   GLU  17          2HB       GLU  17  -5.627  -0.615 -13.080
  168   1HG   GLU  17          1HG       GLU  17  -7.841   1.180 -11.983
  169   2HG   GLU  17          2HG       GLU  17  -7.925   0.248 -13.466
  170    QB   GLU  17           QB       GLU  17  -5.679   0.260 -13.138
  171    QG   GLU  17           QG       GLU  17  -7.883   0.714 -12.725
  172    H    GLU  18           H        GLU  18  -2.746  -0.382 -11.024
  173    HA   GLU  18           HA       GLU  18  -3.395  -3.190 -10.496
  174   1HB   GLU  18          1HB       GLU  18  -1.262  -2.053 -11.727
  175   2HB   GLU  18          2HB       GLU  18  -0.636  -2.058 -10.080
  176   1HG   GLU  18          1HG       GLU  18  -1.382  -4.497  -9.896
  177   2HG   GLU  18          2HG       GLU  18  -1.688  -4.460 -11.632
  178    QB   GLU  18           QB       GLU  18  -0.949  -2.056 -10.903
  179    QG   GLU  18           QG       GLU  18  -1.535  -4.478 -10.764
  180    H    ILE  19           H        ILE  19  -2.173  -0.261  -9.023
  181    HA   ILE  19           HA       ILE  19  -1.998  -0.996  -6.342
  182    HB   ILE  19           HB       ILE  19  -2.388   1.556  -7.837
  183   1HG1  ILE  19          1HG1      ILE  19  -0.340   0.586  -5.817
  184   2HG1  ILE  19          2HG1      ILE  19  -0.216   0.401  -7.560
  185   1HG2  ILE  19          3HG2      ILE  19  -2.705   1.429  -4.810
  186   2HG2  ILE  19          1HG2      ILE  19  -2.446   2.901  -5.788
  187   3HG2  ILE  19          2HG2      ILE  19  -3.908   1.983  -5.980
  188   1HD1  ILE  19          3HD1      ILE  19  -0.189   2.840  -7.853
  189   2HD1  ILE  19          1HD1      ILE  19  -0.230   3.049  -6.082
  190   3HD1  ILE  19          2HD1      ILE  19   1.148   2.242  -6.847
  191    QG1  ILE  19           QG1      ILE  19  -0.278   0.493  -6.688
  192    QG2  ILE  19           QG2      ILE  19  -3.020   2.104  -5.526
  193    QD1  ILE  19           QD1      ILE  19   0.243   2.710  -6.927
  194    H    LYS  20           H        LYS  20  -4.820   0.538  -7.987
  195    HA   LYS  20           HA       LYS  20  -6.624   0.267  -5.888
  196   1HB   LYS  20          1HB       LYS  20  -6.776   1.561  -8.100
  197   2HB   LYS  20          2HB       LYS  20  -7.405   0.069  -8.805
  198   1HG   LYS  20          1HG       LYS  20  -9.264   0.111  -7.120
  199   2HG   LYS  20          2HG       LYS  20  -8.596   1.616  -6.447
  200   1HD   LYS  20          1HD       LYS  20  -8.833   2.734  -8.628
  201   2HD   LYS  20          2HD       LYS  20  -9.421   1.236  -9.349
  202   1HE   LYS  20          1HE       LYS  20 -11.372   1.295  -7.763
  203   2HE   LYS  20          2HE       LYS  20 -10.803   2.884  -7.205
  204   1HZ   LYS  20          2HZ       LYS  20 -10.939   3.597  -9.562
  205   2HZ   LYS  20          3HZ       LYS  20 -11.626   2.163  -9.954
  206   3HZ   LYS  20          1HZ       LYS  20 -12.398   3.225  -8.920
  207    QB   LYS  20           QB       LYS  20  -7.090   0.815  -8.453
  208    QG   LYS  20           QG       LYS  20  -8.930   0.864  -6.783
  209    QD   LYS  20           QD       LYS  20  -9.127   1.985  -8.989
  210    QE   LYS  20           QE       LYS  20 -11.088   2.090  -7.484
  211    QZ   LYS  20           QZ       LYS  20 -11.654   2.995  -9.479
  212    H    ARG  21           H        ARG  21  -6.019  -2.088  -8.523
  213    HA   ARG  21           HA       ARG  21  -7.947  -4.029  -7.883
  214   1HB   ARG  21          1HB       ARG  21  -6.523  -3.990  -9.893
  215   2HB   ARG  21          2HB       ARG  21  -5.095  -4.322  -8.940
  216   1HG   ARG  21          1HG       ARG  21  -6.083  -6.538  -8.286
  217   2HG   ARG  21          2HG       ARG  21  -7.434  -6.217  -9.384
  218   1HD   ARG  21          1HD       ARG  21  -4.807  -5.749 -10.680
  219   2HD   ARG  21          2HD       ARG  21  -4.914  -7.348  -9.984
  220    HE   ARG  21           HE       ARG  21  -6.373  -7.986 -11.596
  221   1HH1  ARG  21          2HH2      ARG  21  -6.400  -4.379 -11.596
  222   2HH1  ARG  21          1HH2      ARG  21  -7.208  -4.286 -13.093
  223   1HH2  ARG  21          2HH1      ARG  21  -7.407  -7.762 -13.649
  224   2HH2  ARG  21          1HH1      ARG  21  -7.525  -6.178 -14.366
  225    QB   ARG  21           QB       ARG  21  -5.809  -4.156  -9.416
  226    QG   ARG  21           QG       ARG  21  -6.759  -6.378  -8.835
  227    QD   ARG  21           QD       ARG  21  -4.860  -6.549 -10.332
  228    QH1  ARG  21           QH2      ARG  21  -6.804  -4.332 -12.345
  229    QH2  ARG  21           QH1      ARG  21  -7.466  -6.970 -14.007
  230    H    ALA  22           H        ALA  22  -4.532  -3.850  -6.927
  231    HA   ALA  22           HA       ALA  22  -4.479  -6.004  -5.110
  232   1HB   ALA  22          3HB       ALA  22  -2.750  -3.545  -5.298
  233   2HB   ALA  22          1HB       ALA  22  -2.401  -4.981  -4.301
  234   3HB   ALA  22          2HB       ALA  22  -2.492  -5.131  -6.061
  235    QB   ALA  22           QB       ALA  22  -2.547  -4.552  -5.220
  236    H    TYR  23           H        TYR  23  -5.127  -2.472  -4.466
  237    HA   TYR  23           HA       TYR  23  -5.348  -2.273  -1.844
  238   1HB   TYR  23          1HB       TYR  23  -6.126  -0.915  -4.163
  239   2HB   TYR  23          2HB       TYR  23  -7.659  -1.184  -3.455
  240    HD1  TYR  23          2HD       TYR  23  -4.249   0.150  -2.713
  241    HD2  TYR  23          1HD       TYR  23  -8.522   0.467  -2.149
  242    HE1  TYR  23          2HE       TYR  23  -3.943   2.387  -1.693
  243    HE2  TYR  23          1HE       TYR  23  -8.225   2.722  -1.184
  244    HH   TYR  23           HH       TYR  23  -5.050   4.070  -0.464
  245    QB   TYR  23           QB       TYR  23  -6.893  -1.049  -3.809
  246    QG   TYR  23           QD       TYR  23  -6.386   0.308  -2.431
  247    QZ   TYR  23           QE       TYR  23  -6.084   2.555  -1.438
  248    QR   TYR  23           QR       TYR  23  -6.235   1.431  -1.935
  249    H    ARG  24           H        ARG  24  -8.233  -3.051  -3.805
  250    HA   ARG  24           HA       ARG  24  -9.780  -3.742  -1.521
  251   1HB   ARG  24          1HB       ARG  24 -10.664  -2.988  -3.743
  252   2HB   ARG  24          2HB       ARG  24 -10.250  -4.573  -4.422
  253   1HG   ARG  24          1HG       ARG  24 -11.788  -5.661  -2.773
  254   2HG   ARG  24          2HG       ARG  24 -12.150  -4.062  -2.087
  255   1HD   ARG  24          1HD       ARG  24 -12.963  -3.345  -4.344
  256   2HD   ARG  24          2HD       ARG  24 -12.736  -4.993  -4.936
  257    HE   ARG  24           HE       ARG  24 -14.695  -3.972  -2.976
  258   1HH1  ARG  24          2HH2      ARG  24 -13.352  -6.900  -4.391
  259   2HH1  ARG  24          1HH2      ARG  24 -14.792  -7.847  -4.275
  260   1HH2  ARG  24          2HH1      ARG  24 -16.584  -5.140  -2.675
  261   2HH2  ARG  24          1HH1      ARG  24 -16.680  -6.841  -3.029
  262    QB   ARG  24           QB       ARG  24 -10.457  -3.780  -4.082
  263    QG   ARG  24           QG       ARG  24 -11.969  -4.862  -2.430
  264    QD   ARG  24           QD       ARG  24 -12.850  -4.169  -4.640
  265    QH1  ARG  24           QH2      ARG  24 -14.072  -7.373  -4.333
  266    QH2  ARG  24           QH1      ARG  24 -16.632  -5.991  -2.852
  267    H    ARG  25           H        ARG  25  -7.734  -5.688  -3.677
  268    HA   ARG  25           HA       ARG  25  -8.632  -8.250  -2.767
  269   1HB   ARG  25          1HB       ARG  25  -6.369  -7.154  -4.372
  270   2HB   ARG  25          2HB       ARG  25  -5.953  -8.584  -3.465
  271   1HG   ARG  25          1HG       ARG  25  -8.440  -8.494  -5.197
  272   2HG   ARG  25          2HG       ARG  25  -6.850  -8.929  -5.843
  273   1HD   ARG  25          1HD       ARG  25  -6.617 -10.742  -4.221
  274   2HD   ARG  25          2HD       ARG  25  -8.143 -10.328  -3.453
  275    HE   ARG  25           HE       ARG  25  -7.691 -11.942  -5.758
  276   1HH1  ARG  25          2HH2      ARG  25 -10.096  -9.691  -4.374
  277   2HH1  ARG  25          1HH2      ARG  25 -11.450 -10.655  -4.812
  278   1HH2  ARG  25          2HH1      ARG  25  -9.523 -12.977  -6.729
  279   2HH2  ARG  25          1HH1      ARG  25 -11.123 -12.488  -6.303
  280    QB   ARG  25           QB       ARG  25  -6.161  -7.869  -3.918
  281    QG   ARG  25           QG       ARG  25  -7.645  -8.711  -5.520
  282    QD   ARG  25           QD       ARG  25  -7.380 -10.535  -3.837
  283    QH1  ARG  25           QH2      ARG  25 -10.773 -10.173  -4.593
  284    QH2  ARG  25           QH1      ARG  25 -10.323 -12.732  -6.516
  285    H    GLN  26           H        GLN  26  -5.812  -6.207  -1.610
  286    HA   GLN  26           HA       GLN  26  -5.057  -8.031   0.359
  287   1HB   GLN  26          1HB       GLN  26  -4.011  -5.740  -0.852
  288   2HB   GLN  26          2HB       GLN  26  -4.618  -5.030   0.611
  289   1HG   GLN  26          1HG       GLN  26  -2.402  -5.571   0.994
  290   2HG   GLN  26          2HG       GLN  26  -3.317  -6.842   1.837
  291   1HE2  GLN  26          2HE2      GLN  26  -0.361  -8.292  -0.051
  292   2HE2  GLN  26          1HE2      GLN  26  -0.499  -6.830   0.888
  293    QB   GLN  26           QB       GLN  26  -4.315  -5.385  -0.121
  294    QG   GLN  26           QG       GLN  26  -2.859  -6.207   1.415
  295    QE2  GLN  26           QE2      GLN  26  -0.430  -7.561   0.418
  296    H    ALA  27           H        ALA  27  -7.164  -5.098   0.434
  297    HA   ALA  27           HA       ALA  27  -7.667  -5.095   3.194
  298   1HB   ALA  27          1HB       ALA  27  -9.422  -4.307   0.812
  299   2HB   ALA  27          2HB       ALA  27  -9.859  -3.993   2.498
  300   3HB   ALA  27          3HB       ALA  27  -8.392  -3.266   1.822
  301    QB   ALA  27           QB       ALA  27  -9.224  -3.856   1.711
  302    H    LEU  28           H        LEU  28  -9.604  -6.634   0.551
  303    HA   LEU  28           HA       LEU  28 -11.301  -8.131   2.315
  304   1HB   LEU  28          1HB       LEU  28 -11.863  -7.232   0.041
  305   2HB   LEU  28          2HB       LEU  28 -10.799  -8.443  -0.669
  306    HG   LEU  28           HG       LEU  28 -12.283 -10.236  -0.032
  307   1HD1  LEU  28          2HD1      LEU  28 -13.989  -8.151   1.391
  308   2HD1  LEU  28          3HD1      LEU  28 -14.432  -9.851   1.117
  309   3HD1  LEU  28          1HD1      LEU  28 -13.073  -9.456   2.168
  310   1HD2  LEU  28          2HD2      LEU  28 -12.791  -8.942  -2.076
  311   2HD2  LEU  28          3HD2      LEU  28 -14.245  -9.651  -1.345
  312   3HD2  LEU  28          1HD2      LEU  28 -13.898  -7.917  -1.144
  313    QB   LEU  28           QB       LEU  28 -11.331  -7.838  -0.314
  314    QD1  LEU  28           QD1      LEU  28 -13.831  -9.153   1.559
  315    QD2  LEU  28           QD2      LEU  28 -13.645  -8.837  -1.522
  316    QQD  LEU  28           QQD      LEU  28 -13.738  -8.995   0.019
  317    H    ARG  29           H        ARG  29  -8.074  -8.671   1.887
  318    HA   ARG  29           HA       ARG  29  -8.325 -11.592   2.289
  319   1HB   ARG  29          1HB       ARG  29  -6.454 -10.847   0.821
  320   2HB   ARG  29          2HB       ARG  29  -5.916  -9.735   2.029
  321   1HG   ARG  29          1HG       ARG  29  -4.503 -11.701   1.996
  322   2HG   ARG  29          2HG       ARG  29  -5.288 -11.445   3.558
  323   1HD   ARG  29          1HD       ARG  29  -6.929 -13.184   3.055
  324   2HD   ARG  29          2HD       ARG  29  -6.165 -13.478   1.480
  325    HE   ARG  29           HE       ARG  29  -4.068 -13.986   2.809
  326   1HH1  ARG  29          2HH2      ARG  29  -7.322 -14.900   3.887
  327   2HH1  ARG  29          1HH2      ARG  29  -6.758 -16.145   4.965
  328   1HH2  ARG  29          2HH1      ARG  29  -3.314 -15.559   4.327
  329   2HH2  ARG  29          1HH1      ARG  29  -4.469 -16.641   5.031
  330    QB   ARG  29           QB       ARG  29  -6.185 -10.291   1.425
  331    QG   ARG  29           QG       ARG  29  -4.896 -11.573   2.777
  332    QD   ARG  29           QD       ARG  29  -6.547 -13.331   2.267
  333    QH1  ARG  29           QH2      ARG  29  -7.040 -15.523   4.426
  334    QH2  ARG  29           QH1      ARG  29  -3.892 -16.100   4.679
  335    H    TYR  30           H        TYR  30  -6.465  -9.002   3.880
  336    HA   TYR  30           HA       TYR  30  -6.626 -10.404   6.366
  337   1HB   TYR  30          1HB       TYR  30  -5.318  -7.754   5.679
  338   2HB   TYR  30          2HB       TYR  30  -4.932  -8.773   7.045
  339    HD1  TYR  30          2HD       TYR  30  -3.716 -10.992   6.677
  340    HD2  TYR  30          1HD       TYR  30  -4.367  -8.153   3.510
  341    HE1  TYR  30          2HE       TYR  30  -1.895 -12.034   5.357
  342    HE2  TYR  30          1HE       TYR  30  -2.497  -9.148   2.232
  343    HH   TYR  30           HH       TYR  30  -0.825 -12.057   2.989
  344    QB   TYR  30           QB       TYR  30  -5.125  -8.263   6.362
  345    QG   TYR  30           QD       TYR  30  -4.042  -9.572   5.093
  346    QZ   TYR  30           QE       TYR  30  -2.196 -10.591   3.795
  347    QR   TYR  30           QR       TYR  30  -3.119 -10.082   4.444
  348    H    HIS  31           H        HIS  31  -9.000  -8.416   5.254
  349    HA   HIS  31           HA       HIS  31  -9.323  -6.268   6.751
  350   1HB   HIS  31          1HB       HIS  31 -10.953  -7.800   5.067
  351   2HB   HIS  31          2HB       HIS  31 -11.843  -7.820   6.528
  352    HD1  HIS  31          1HD       HIS  31 -12.103  -4.878   7.528
  353    HD2  HIS  31          2HD       HIS  31 -11.703  -5.994   3.470
  354    HE1  HIS  31          1HE       HIS  31 -13.090  -3.018   6.181
  355    QB   HIS  31           QB       HIS  31 -11.398  -7.810   5.798
  356    HA   PRO  32           HA       PRO  32  -9.978  -7.731  10.985
  357   1HB   PRO  32          1HB       PRO  32 -10.978  -5.446  12.147
  358   2HB   PRO  32          2HB       PRO  32  -9.246  -5.664  11.748
  359   1HG   PRO  32          1HG       PRO  32 -11.370  -4.271  10.089
  360   2HG   PRO  32          2HG       PRO  32  -9.733  -3.676  10.546
  361   1HD   PRO  32          1HD       PRO  32 -10.136  -4.821   8.152
  362   2HD   PRO  32          2HD       PRO  32  -8.672  -5.209   9.110
  363    QB   PRO  32           QB       PRO  32 -10.112  -5.555  11.948
  364    QG   PRO  32           QG       PRO  32 -10.551  -3.973  10.318
  365    QD   PRO  32           QD       PRO  32  -9.404  -5.015   8.631
  366    H    ASP  33           H        ASP  33 -12.382  -6.677   8.779
  367    HA   ASP  33           HA       ASP  33 -14.711  -7.307  10.448
  368   1HB   ASP  33          1HB       ASP  33 -14.902  -5.627   8.682
  369   2HB   ASP  33          2HB       ASP  33 -14.302  -6.759   7.470
  370    QB   ASP  33           QB       ASP  33 -14.602  -6.193   8.076
  371    H    LYS  34           H        LYS  34 -13.079  -8.624   7.578
  372    HA   LYS  34           HA       LYS  34 -14.733 -10.988   7.500
  373   1HB   LYS  34          1HB       LYS  34 -14.060 -10.009   5.415
  374   2HB   LYS  34          2HB       LYS  34 -12.358  -9.995   5.885
  375   1HG   LYS  34          1HG       LYS  34 -12.245 -12.439   5.816
  376   2HG   LYS  34          2HG       LYS  34 -13.970 -12.534   5.415
  377   1HD   LYS  34          1HD       LYS  34 -13.618 -11.624   3.266
  378   2HD   LYS  34          2HD       LYS  34 -12.029 -10.936   3.714
  379   1HE   LYS  34          1HE       LYS  34 -10.999 -13.072   3.856
  380   2HE   LYS  34          2HE       LYS  34 -12.548 -13.923   3.741
  381   1HZ   LYS  34          2HZ       LYS  34 -12.773 -13.079   1.505
  382   2HZ   LYS  34          3HZ       LYS  34 -11.294 -12.330   1.599
  383   3HZ   LYS  34          1HZ       LYS  34 -11.423 -13.983   1.651
  384    QB   LYS  34           QB       LYS  34 -13.209 -10.002   5.650
  385    QG   LYS  34           QG       LYS  34 -13.107 -12.487   5.615
  386    QD   LYS  34           QD       LYS  34 -12.823 -11.280   3.490
  387    QE   LYS  34           QE       LYS  34 -11.773 -13.498   3.799
  388    QZ   LYS  34           QZ       LYS  34 -11.830 -13.131   1.585
  389    H    ASN  35           H        ASN  35 -11.172 -10.441   8.027
  390    HA   ASN  35           HA       ASN  35 -10.870 -13.373   8.185
  391   1HB   ASN  35          1HB       ASN  35  -9.163 -11.127   7.365
  392   2HB   ASN  35          2HB       ASN  35  -8.372 -12.053   8.631
  393   1HD2  ASN  35          2HD2      ASN  35  -7.165 -14.031   5.915
  394   2HD2  ASN  35          1HD2      ASN  35  -6.696 -12.759   6.980
  395    QB   ASN  35           QB       ASN  35  -8.767 -11.590   7.998
  396    QD2  ASN  35           QD2      ASN  35  -6.931 -13.395   6.448
  397    H    LYS  36           H        LYS  36 -10.641 -10.461  10.153
  398    HA   LYS  36           HA       LYS  36 -10.369 -10.066  12.317
  399   1HB   LYS  36          1HB       LYS  36 -11.870 -12.642  12.419
  400   2HB   LYS  36          2HB       LYS  36 -11.540 -11.713  13.890
  401   1HG   LYS  36          1HG       LYS  36 -12.751  -9.827  13.066
  402   2HG   LYS  36          2HG       LYS  36 -13.062 -10.631  11.502
  403   1HD   LYS  36          1HD       LYS  36 -14.330 -12.407  12.714
  404   2HD   LYS  36          2HD       LYS  36 -14.036 -11.572  14.242
  405   1HE   LYS  36          1HE       LYS  36 -15.653 -10.535  11.871
  406   2HE   LYS  36          2HE       LYS  36 -16.279 -11.086  13.428
  407   1HZ   LYS  36          2HZ       LYS  36 -14.971  -9.199  14.428
  408   2HZ   LYS  36          3HZ       LYS  36 -14.731  -8.609  12.917
  409   3HZ   LYS  36          1HZ       LYS  36 -16.235  -8.762  13.500
  410    QB   LYS  36           QB       LYS  36 -11.705 -12.177  13.155
  411    QG   LYS  36           QG       LYS  36 -12.906 -10.229  12.284
  412    QD   LYS  36           QD       LYS  36 -14.183 -11.990  13.478
  413    QE   LYS  36           QE       LYS  36 -15.966 -10.810  12.650
  414    QZ   LYS  36           QZ       LYS  36 -15.312  -8.857  13.615
  415    H    GLU  37           H        GLU  37  -8.161 -11.643  10.958
  416    HA   GLU  37           HA       GLU  37  -7.466 -13.791  12.671
  417   1HB   GLU  37          1HB       GLU  37  -7.318 -13.649  10.204
  418   2HB   GLU  37          2HB       GLU  37  -6.006 -12.496  10.327
  419   1HG   GLU  37          1HG       GLU  37  -5.759 -15.127  11.803
  420   2HG   GLU  37          2HG       GLU  37  -5.703 -15.138  10.040
  421    QB   GLU  37           QB       GLU  37  -6.662 -13.073  10.266
  422    QG   GLU  37           QG       GLU  37  -5.731 -15.133  10.922
  423    HA   PRO  38           HA       PRO  38  -5.652 -10.951  15.397
  424   1HB   PRO  38          1HB       PRO  38  -4.713 -12.510  17.449
  425   2HB   PRO  38          2HB       PRO  38  -6.432 -12.437  16.946
  426   1HG   PRO  38          1HG       PRO  38  -4.406 -14.506  16.086
  427   2HG   PRO  38          2HG       PRO  38  -6.003 -14.792  16.853
  428   1HD   PRO  38          1HD       PRO  38  -5.708 -14.809  14.137
  429   2HD   PRO  38          2HD       PRO  38  -7.173 -14.130  14.913
  430    QB   PRO  38           QB       PRO  38  -5.572 -12.473  17.198
  431    QG   PRO  38           QG       PRO  38  -5.204 -14.649  16.469
  432    QD   PRO  38           QD       PRO  38  -6.440 -14.469  14.525
  433    H    GLY  39           H        GLY  39  -3.867 -12.715  13.765
  434   1HA   GLY  39          1HA       GLY  39  -1.161 -11.522  14.394
  435   2HA   GLY  39          2HA       GLY  39  -1.373 -12.952  13.379
  436    QA   GLY  39           QA       GLY  39  -1.267 -12.237  13.887
  437    H    ALA  40           H        ALA  40  -3.834 -10.939  12.449
  438    HA   ALA  40           HA       ALA  40  -2.257  -9.588  10.343
  439   1HB   ALA  40          1HB       ALA  40  -3.882 -11.320   9.539
  440   2HB   ALA  40          2HB       ALA  40  -5.191 -10.365  10.278
  441   3HB   ALA  40          3HB       ALA  40  -4.222  -9.687   8.960
  442    QB   ALA  40           QB       ALA  40  -4.432 -10.458   9.592
  443    H    GLU  41           H        GLU  41  -3.349  -8.872  13.322
  444    HA   GLU  41           HA       GLU  41  -5.013  -6.551  12.855
  445   1HB   GLU  41          1HB       GLU  41  -5.041  -7.656  14.979
  446   2HB   GLU  41          2HB       GLU  41  -3.311  -7.503  15.206
  447   1HG   GLU  41          1HG       GLU  41  -4.923  -4.973  14.831
  448   2HG   GLU  41          2HG       GLU  41  -5.123  -5.867  16.330
  449    QB   GLU  41           QB       GLU  41  -4.176  -7.579  15.093
  450    QG   GLU  41           QG       GLU  41  -5.023  -5.420  15.581
  451    H    GLU  42           H        GLU  42  -1.562  -7.184  13.415
  452    HA   GLU  42           HA       GLU  42  -0.673  -4.532  12.913
  453   1HB   GLU  42          1HB       GLU  42   0.623  -6.132  14.233
  454   2HB   GLU  42          2HB       GLU  42   0.798  -7.179  12.822
  455   1HG   GLU  42          1HG       GLU  42   2.811  -5.982  13.130
  456   2HG   GLU  42          2HG       GLU  42   2.091  -5.375  11.659
  457    QB   GLU  42           QB       GLU  42   0.711  -6.656  13.527
  458    QG   GLU  42           QG       GLU  42   2.451  -5.679  12.395
  459    H    LYS  43           H        LYS  43  -0.758  -7.449  10.869
  460    HA   LYS  43           HA       LYS  43   0.461  -6.317   8.646
  461   1HB   LYS  43          1HB       LYS  43  -0.678  -8.774   9.125
  462   2HB   LYS  43          2HB       LYS  43  -1.783  -8.132   7.910
  463   1HG   LYS  43          1HG       LYS  43   0.287  -7.480   6.534
  464   2HG   LYS  43          2HG       LYS  43   1.245  -8.415   7.691
  465   1HD   LYS  43          1HD       LYS  43  -0.455 -10.347   7.129
  466   2HD   LYS  43          2HD       LYS  43  -0.829  -9.336   5.721
  467   1HE   LYS  43          1HE       LYS  43   1.908 -10.454   6.479
  468   2HE   LYS  43          2HE       LYS  43   0.846 -11.077   5.207
  469   1HZ   LYS  43          2HZ       LYS  43   1.062  -8.927   4.094
  470   2HZ   LYS  43          3HZ       LYS  43   2.107  -8.399   5.216
  471   3HZ   LYS  43          1HZ       LYS  43   2.522  -9.679   4.260
  472    QB   LYS  43           QB       LYS  43  -1.230  -8.453   8.518
  473    QG   LYS  43           QG       LYS  43   0.766  -7.948   7.112
  474    QD   LYS  43           QD       LYS  43  -0.642  -9.842   6.425
  475    QE   LYS  43           QE       LYS  43   1.377 -10.765   5.843
  476    QZ   LYS  43           QZ       LYS  43   1.897  -9.002   4.523
  477    H    PHE  44           H        PHE  44  -2.957  -6.305   9.499
  478    HA   PHE  44           HA       PHE  44  -3.890  -4.804   7.248
  479   1HB   PHE  44          1HB       PHE  44  -5.311  -6.012   8.875
  480   2HB   PHE  44          2HB       PHE  44  -4.943  -4.800  10.088
  481    HD1  PHE  44          1HD       PHE  44  -6.607  -5.454   6.842
  482    HD2  PHE  44          2HD       PHE  44  -6.036  -2.574  10.018
  483    HE1  PHE  44          1HE       PHE  44  -8.522  -4.130   5.998
  484    HE2  PHE  44          2HE       PHE  44  -7.938  -1.261   9.156
  485   1HZ   PHE  44           HZ       PHE  44  -9.198  -2.030   7.156
  486    QB   PHE  44           QB       PHE  44  -5.127  -5.406   9.481
  487    QG   PHE  44           QD       PHE  44  -6.321  -4.014   8.430
  488    QZ   PHE  44           QE       PHE  44  -8.230  -2.696   7.577
  489    QZ   PHE  44           QR       PHE  44  -7.660  -3.090   7.834
  490    H    LYS  45           H        LYS  45  -2.627  -3.689  10.420
  491    HA   LYS  45           HA       LYS  45  -2.942  -0.900   9.865
  492   1HB   LYS  45          1HB       LYS  45  -2.633  -2.080  12.098
  493   2HB   LYS  45          2HB       LYS  45  -0.904  -2.172  11.738
  494   1HG   LYS  45          1HG       LYS  45  -0.714   0.241  11.745
  495   2HG   LYS  45          2HG       LYS  45  -2.475   0.442  11.777
  496   1HD   LYS  45          1HD       LYS  45  -2.598  -0.566  14.026
  497   2HD   LYS  45          2HD       LYS  45  -0.876  -0.937  13.975
  498   1HE   LYS  45          1HE       LYS  45  -0.999   0.989  15.301
  499   2HE   LYS  45          2HE       LYS  45  -0.431   1.560  13.733
  500   1HZ   LYS  45          1HZ       LYS  45  -2.791   2.226  13.285
  501   2HZ   LYS  45          2HZ       LYS  45  -3.171   1.814  14.824
  502   3HZ   LYS  45          3HZ       LYS  45  -2.091   3.008  14.558
  503    QB   LYS  45           QB       LYS  45  -1.769  -2.126  11.918
  504    QG   LYS  45           QG       LYS  45  -1.594   0.341  11.761
  505    QD   LYS  45           QD       LYS  45  -1.737  -0.751  14.000
  506    QE   LYS  45           QE       LYS  45  -0.715   1.275  14.517
  507    QZ   LYS  45           QZ       LYS  45  -2.684   2.349  14.222
  508    H    GLU  46           H        GLU  46  -0.392  -3.193   9.001
  509    HA   GLU  46           HA       GLU  46   1.477  -1.307   7.945
  510   1HB   GLU  46          1HB       GLU  46   1.366  -4.026   8.483
  511   2HB   GLU  46          2HB       GLU  46   1.463  -4.032   6.748
  512   1HG   GLU  46          1HG       GLU  46   3.393  -2.303   8.305
  513   2HG   GLU  46          2HG       GLU  46   3.544  -4.037   8.481
  514    QB   GLU  46           QB       GLU  46   1.415  -4.029   7.616
  515    QG   GLU  46           QG       GLU  46   3.468  -3.170   8.393
  516    H    ILE  47           H        ILE  47  -1.088  -3.361   6.432
  517    HA   ILE  47           HA       ILE  47  -0.874  -2.437   3.778
  518    HB   ILE  47           HB       ILE  47  -3.349  -3.396   5.237
  519   1HG1  ILE  47          1HG1      ILE  47  -1.668  -4.862   3.166
  520   2HG1  ILE  47          2HG1      ILE  47  -1.223  -4.933   4.858
  521   1HG2  ILE  47          1HG2      ILE  47  -2.875  -3.028   2.233
  522   2HG2  ILE  47          2HG2      ILE  47  -4.279  -3.830   2.939
  523   3HG2  ILE  47          3HG2      ILE  47  -4.044  -2.132   3.236
  524   1HD1  ILE  47          1HD1      ILE  47  -3.485  -5.764   5.432
  525   2HD1  ILE  47          2HD1      ILE  47  -3.914  -5.772   3.720
  526   3HD1  ILE  47          3HD1      ILE  47  -2.586  -6.806   4.307
  527    QG1  ILE  47           QG1      ILE  47  -1.446  -4.898   4.012
  528    QG2  ILE  47           QG2      ILE  47  -3.733  -2.996   2.803
  529    QD1  ILE  47           QD1      ILE  47  -3.328  -6.114   4.487
  530    H    ALA  48           H        ALA  48  -2.756  -1.115   6.518
  531    HA   ALA  48           HA       ALA  48  -4.163   0.888   5.173
  532   1HB   ALA  48          3HB       ALA  48  -4.569   0.079   7.501
  533   2HB   ALA  48          1HB       ALA  48  -3.099   0.917   8.035
  534   3HB   ALA  48          2HB       ALA  48  -4.475   1.844   7.408
  535    QB   ALA  48           QB       ALA  48  -4.048   0.947   7.648
  536    H    GLU  49           H        GLU  49  -0.815   0.854   6.316
  537    HA   GLU  49           HA       GLU  49  -0.349   3.721   6.083
  538   1HB   GLU  49          1HB       GLU  49   1.083   1.545   7.145
  539   2HB   GLU  49          2HB       GLU  49   1.980   1.881   5.671
  540   1HG   GLU  49          1HG       GLU  49   3.049   3.273   7.168
  541   2HG   GLU  49          2HG       GLU  49   1.876   4.400   6.485
  542    QB   GLU  49           QB       GLU  49   1.532   1.713   6.408
  543    QG   GLU  49           QG       GLU  49   2.462   3.836   6.827
  544    H    ALA  50           H        ALA  50   0.189   0.853   4.047
  545    HA   ALA  50           HA       ALA  50   1.375   2.358   1.851
  546   1HB   ALA  50          2HB       ALA  50   1.777  -0.092   2.276
  547   2HB   ALA  50          3HB       ALA  50   0.080  -0.414   1.880
  548   3HB   ALA  50          1HB       ALA  50   1.153   0.251   0.636
  549    QB   ALA  50           QB       ALA  50   1.003  -0.085   1.597
  550    H    TYR  51           H        TYR  51  -1.862   1.445   2.874
  551    HA   TYR  51           HA       TYR  51  -3.284   1.662   0.473
  552   1HB   TYR  51          1HB       TYR  51  -3.808   0.966   3.067
  553   2HB   TYR  51          2HB       TYR  51  -4.495   2.551   3.095
  554    HD1  TYR  51          1HD       TYR  51  -4.457  -0.758   1.517
  555    HD2  TYR  51          2HD       TYR  51  -6.768   2.824   2.145
  556    HE1  TYR  51          1HE       TYR  51  -6.491  -1.983   0.808
  557    HE2  TYR  51          2HE       TYR  51  -8.808   1.612   1.469
  558    HH   TYR  51           HH       TYR  51  -9.731  -0.503   1.018
  559    QB   TYR  51           QB       TYR  51  -4.151   1.758   3.081
  560    QG   TYR  51           QD       TYR  51  -5.613   1.033   1.831
  561    QZ   TYR  51           QE       TYR  51  -7.650  -0.185   1.138
  562    QR   TYR  51           QR       TYR  51  -6.631   0.424   1.485
  563    H    ASP  52           H        ASP  52  -2.609   4.016   3.111
  564    HA   ASP  52           HA       ASP  52  -3.799   6.274   1.911
  565   1HB   ASP  52          1HB       ASP  52  -3.118   6.111   4.311
  566   2HB   ASP  52          2HB       ASP  52  -1.428   6.243   3.815
  567    QB   ASP  52           QB       ASP  52  -2.273   6.177   4.063
  568    H    VAL  53           H        VAL  53  -0.347   5.279   1.938
  569    HA   VAL  53           HA       VAL  53   0.656   7.416   0.407
  570    HB   VAL  53           HB       VAL  53   1.551   4.531   0.853
  571   1HG1  VAL  53          1HG1      VAL  53   3.138   6.620  -0.696
  572   2HG1  VAL  53          2HG1      VAL  53   3.768   5.050  -0.095
  573   3HG1  VAL  53          3HG1      VAL  53   2.524   5.099  -1.324
  574   1HG2  VAL  53          1HG2      VAL  53   1.657   6.179   2.702
  575   2HG2  VAL  53          2HG2      VAL  53   3.249   5.542   2.214
  576   3HG2  VAL  53          3HG2      VAL  53   2.741   7.179   1.703
  577    QG1  VAL  53           QG1      VAL  53   3.143   5.590  -0.705
  578    QG2  VAL  53           QG2      VAL  53   2.549   6.300   2.207
  579    QQG  VAL  53           QQG      VAL  53   2.846   5.945   0.751
  580    H    LEU  54           H        LEU  54  -0.525   4.174  -0.677
  581    HA   LEU  54           HA       LEU  54   0.239   4.712  -3.360
  582   1HB   LEU  54          1HB       LEU  54  -1.217   2.466  -2.019
  583   2HB   LEU  54          2HB       LEU  54  -1.282   2.700  -3.727
  584    HG   LEU  54           HG       LEU  54   0.974   2.430  -4.142
  585   1HD1  LEU  54          3HD1      LEU  54   1.451   2.570  -1.162
  586   2HD1  LEU  54          1HD1      LEU  54   2.559   1.705  -2.235
  587   3HD1  LEU  54          2HD1      LEU  54   2.264   3.409  -2.512
  588   1HD2  LEU  54          2HD2      LEU  54  -0.526   0.392  -3.565
  589   2HD2  LEU  54          3HD2      LEU  54   1.218   0.178  -3.713
  590   3HD2  LEU  54          1HD2      LEU  54   0.474   0.282  -2.097
  591    QB   LEU  54           QB       LEU  54  -1.249   2.583  -2.873
  592    QD1  LEU  54           QD1      LEU  54   2.091   2.561  -1.970
  593    QD2  LEU  54           QD2      LEU  54   0.388   0.284  -3.125
  594    QQD  LEU  54           QQD      LEU  54   1.240   1.423  -2.547
  595    H    SER  55           H        SER  55  -2.085   6.281  -1.678
  596    HA   SER  55           HA       SER  55  -3.789   6.559  -4.115
  597   1HB   SER  55          1HB       SER  55  -5.652   6.885  -2.827
  598   2HB   SER  55          2HB       SER  55  -4.849   5.448  -2.266
  599    HG   SER  55           HG       SER  55  -3.822   6.865  -0.607
  600    QB   SER  55           QB       SER  55  -5.250   6.166  -2.546
  601    H    ASP  56           H        ASP  56  -2.053   8.437  -1.504
  602    HA   ASP  56           HA       ASP  56  -3.099  10.881  -2.668
  603   1HB   ASP  56          1HB       ASP  56  -2.652  10.827  -0.295
  604   2HB   ASP  56          2HB       ASP  56  -0.948  10.444  -0.573
  605    QB   ASP  56           QB       ASP  56  -1.800  10.636  -0.434
  606    HA   PRO  57           HA       PRO  57   0.019  10.669  -5.820
  607   1HB   PRO  57          1HB       PRO  57  -0.516  12.926  -7.268
  608   2HB   PRO  57          2HB       PRO  57  -1.615  11.515  -7.221
  609   1HG   PRO  57          1HG       PRO  57  -1.778  14.046  -5.551
  610   2HG   PRO  57          2HG       PRO  57  -3.081  13.272  -6.512
  611   1HD   PRO  57          1HD       PRO  57  -2.804  12.817  -3.847
  612   2HD   PRO  57          2HD       PRO  57  -3.303  11.504  -4.957
  613    QB   PRO  57           QB       PRO  57  -1.066  12.221  -7.245
  614    QG   PRO  57           QG       PRO  57  -2.429  13.659  -6.031
  615    QD   PRO  57           QD       PRO  57  -3.053  12.160  -4.402
  616    H    ARG  58           H        ARG  58   0.081  13.229  -3.393
  617    HA   ARG  58           HA       ARG  58   2.628  14.355  -4.459
  618   1HB   ARG  58          1HB       ARG  58   1.597  14.924  -1.680
  619   2HB   ARG  58          2HB       ARG  58   2.643  15.863  -2.713
  620   1HG   ARG  58          1HG       ARG  58   0.822  17.176  -2.786
  621   2HG   ARG  58          2HG       ARG  58   0.416  16.163  -4.176
  622   1HD   ARG  58          1HD       ARG  58  -1.187  14.914  -2.881
  623   2HD   ARG  58          2HD       ARG  58  -0.484  15.457  -1.354
  624    HE   ARG  58           HE       ARG  58  -1.593  17.551  -3.056
  625   1HH1  ARG  58          2HH2      ARG  58  -2.384  15.206  -0.497
  626   2HH1  ARG  58          1HH2      ARG  58  -3.721  16.136   0.122
  627   1HH2  ARG  58          2HH1      ARG  58  -3.267  18.848  -2.110
  628   2HH2  ARG  58          1HH1      ARG  58  -4.259  18.181  -0.856
  629    QB   ARG  58           QB       ARG  58   2.120  15.393  -2.196
  630    QG   ARG  58           QG       ARG  58   0.619  16.670  -3.481
  631    QD   ARG  58           QD       ARG  58  -0.836  15.186  -2.117
  632    QH1  ARG  58           QH2      ARG  58  -3.053  15.671  -0.188
  633    QH2  ARG  58           QH1      ARG  58  -3.763  18.515  -1.483
  634    H    LYS  59           H        LYS  59   1.282  12.301  -1.825
  635    HA   LYS  59           HA       LYS  59   3.800  11.984  -0.537
  636   1HB   LYS  59          1HB       LYS  59   1.404  11.591   0.389
  637   2HB   LYS  59          2HB       LYS  59   1.395  10.076  -0.518
  638   1HG   LYS  59          1HG       LYS  59   2.025   9.458   1.664
  639   2HG   LYS  59          2HG       LYS  59   3.529   9.458   0.748
  640   1HD   LYS  59          1HD       LYS  59   3.522  12.057   1.696
  641   2HD   LYS  59          2HD       LYS  59   2.591  11.231   2.958
  642   1HE   LYS  59          1HE       LYS  59   4.451   9.494   3.007
  643   2HE   LYS  59          2HE       LYS  59   5.370  10.571   1.938
  644   1HZ   LYS  59          1HZ       LYS  59   5.080  12.298   3.743
  645   2HZ   LYS  59          2HZ       LYS  59   4.450  11.153   4.700
  646   3HZ   LYS  59          3HZ       LYS  59   6.021  11.004   4.176
  647    QB   LYS  59           QB       LYS  59   1.399  10.833  -0.065
  648    QG   LYS  59           QG       LYS  59   2.777   9.458   1.206
  649    QD   LYS  59           QD       LYS  59   3.056  11.644   2.327
  650    QE   LYS  59           QE       LYS  59   4.910  10.032   2.473
  651    QZ   LYS  59           QZ       LYS  59   5.184  11.485   4.206
  652    H    ARG  60           H        ARG  60   1.998   9.950  -2.866
  653    HA   ARG  60           HA       ARG  60   4.188   8.143  -3.209
  654   1HB   ARG  60          1HB       ARG  60   1.520   8.198  -4.078
  655   2HB   ARG  60          2HB       ARG  60   2.445   8.319  -5.589
  656   1HG   ARG  60          1HG       ARG  60   3.823   6.355  -4.873
  657   2HG   ARG  60          2HG       ARG  60   2.937   6.335  -3.338
  658   1HD   ARG  60          1HD       ARG  60   1.895   4.716  -4.425
  659   2HD   ARG  60          2HD       ARG  60   0.813   6.083  -4.788
  660    HE   ARG  60           HE       ARG  60   2.871   4.787  -6.539
  661   1HH1  ARG  60          2HH2      ARG  60  -0.181   6.768  -6.641
  662   2HH1  ARG  60          1HH2      ARG  60  -0.082   6.818  -8.360
  663   1HH2  ARG  60          2HH1      ARG  60   2.636   4.639  -8.765
  664   2HH2  ARG  60          1HH1      ARG  60   1.273   5.333  -9.551
  665    QB   ARG  60           QB       ARG  60   1.983   8.258  -4.834
  666    QG   ARG  60           QG       ARG  60   3.380   6.345  -4.105
  667    QD   ARG  60           QD       ARG  60   1.354   5.399  -4.606
  668    QH1  ARG  60           QH2      ARG  60  -0.132   6.793  -7.500
  669    QH2  ARG  60           QH1      ARG  60   1.955   4.986  -9.158
  670    H    GLU  61           H        GLU  61   3.933  11.404  -4.480
  671    HA   GLU  61           HA       GLU  61   5.603  11.031  -6.777
  672   1HB   GLU  61          1HB       GLU  61   4.353  13.121  -6.144
  673   2HB   GLU  61          2HB       GLU  61   5.514  13.401  -4.855
  674   1HG   GLU  61          1HG       GLU  61   6.255  13.155  -7.783
  675   2HG   GLU  61          2HG       GLU  61   5.874  14.675  -6.997
  676    QB   GLU  61           QB       GLU  61   4.934  13.261  -5.499
  677    QG   GLU  61           QG       GLU  61   6.065  13.915  -7.390
  678    H    ILE  62           H        ILE  62   6.188  11.305  -3.294
  679    HA   ILE  62           HA       ILE  62   9.003  11.456  -3.459
  680    HB   ILE  62           HB       ILE  62   7.477  10.321  -1.092
  681   1HG1  ILE  62          1HG1      ILE  62   7.713  13.264  -1.869
  682   2HG1  ILE  62          2HG1      ILE  62   6.231  12.324  -1.801
  683   1HG2  ILE  62          1HG2      ILE  62   9.982  10.368  -1.054
  684   2HG2  ILE  62          2HG2      ILE  62   9.926  12.134  -1.261
  685   3HG2  ILE  62          3HG2      ILE  62   9.258  11.369   0.195
  686   1HD1  ILE  62          3HD1      ILE  62   6.551  11.965   0.636
  687   2HD1  ILE  62          1HD1      ILE  62   7.908  13.116   0.581
  688   3HD1  ILE  62          2HD1      ILE  62   6.281  13.656   0.148
  689    QG1  ILE  62           QG1      ILE  62   6.972  12.794  -1.835
  690    QG2  ILE  62           QG2      ILE  62   9.722  11.290  -0.707
  691    QD1  ILE  62           QD1      ILE  62   6.913  12.912   0.455
  692    H    PHE  63           H        PHE  63   6.706   8.729  -3.396
  693    HA   PHE  63           HA       PHE  63   8.811   6.717  -3.128
  694   1HB   PHE  63          1HB       PHE  63   6.333   6.411  -2.478
  695   2HB   PHE  63          2HB       PHE  63   6.047   6.153  -4.194
  696    HD1  PHE  63          2HD       PHE  63   7.414   4.257  -5.376
  697    HD2  PHE  63          1HD       PHE  63   7.115   4.641  -1.081
  698    HE1  PHE  63          2HE       PHE  63   8.187   1.949  -5.118
  699    HE2  PHE  63          1HE       PHE  63   7.894   2.282  -0.847
  700   1HZ   PHE  63           HZ       PHE  63   8.441   0.939  -2.820
  701    QB   PHE  63           QB       PHE  63   6.190   6.282  -3.336
  702    QG   PHE  63           QD       PHE  63   7.264   4.449  -3.228
  703    QZ   PHE  63           QE       PHE  63   8.040   2.116  -2.982
  704    QZ   PHE  63           QR       PHE  63   7.810   2.814  -3.048
  705    H    ASP  64           H        ASP  64   7.127   8.377  -5.872
  706    HA   ASP  64           HA       ASP  64   8.197   6.624  -7.865
  707   1HB   ASP  64          1HB       ASP  64   6.300   8.192  -8.262
  708   2HB   ASP  64          2HB       ASP  64   7.444   9.546  -8.242
  709    QB   ASP  64           QB       ASP  64   6.872   8.869  -8.252
  710    H    ARG  65           H        ARG  65   9.318   9.827  -6.689
  711    HA   ARG  65           HA       ARG  65  11.714   9.892  -8.249
  712   1HB   ARG  65          1HB       ARG  65  10.996  11.940  -7.457
  713   2HB   ARG  65          2HB       ARG  65  10.677  11.327  -5.855
  714   1HG   ARG  65          1HG       ARG  65  12.523  12.866  -5.760
  715   2HG   ARG  65          2HG       ARG  65  13.045  11.255  -5.314
  716   1HD   ARG  65          1HD       ARG  65  13.544  11.391  -8.061
  717   2HD   ARG  65          2HD       ARG  65  13.998  12.990  -7.457
  718    HE   ARG  65           HE       ARG  65  15.357  11.699  -5.696
  719   1HH1  ARG  65          2HH2      ARG  65  15.168  10.816  -9.097
  720   2HH1  ARG  65          1HH2      ARG  65  16.371   9.563  -8.986
  721   1HH2  ARG  65          2HH1      ARG  65  16.880   9.954  -5.487
  722   2HH2  ARG  65          1HH1      ARG  65  17.317   9.022  -6.855
  723    QB   ARG  65           QB       ARG  65  10.837  11.634  -6.656
  724    QG   ARG  65           QG       ARG  65  12.784  12.060  -5.537
  725    QD   ARG  65           QD       ARG  65  13.771  12.190  -7.759
  726    QH1  ARG  65           QH2      ARG  65  15.770  10.189  -9.042
  727    QH2  ARG  65           QH1      ARG  65  17.098   9.488  -6.171
  728    H    TYR  66           H        TYR  66  11.311   9.177  -4.763
  729    HA   TYR  66           HA       TYR  66  14.069   8.152  -4.664
  730   1HB   TYR  66          1HB       TYR  66  12.030   8.492  -2.445
  731   2HB   TYR  66          2HB       TYR  66  13.696   8.029  -2.255
  732    HD1  TYR  66          1HD       TYR  66  15.524   9.579  -2.510
  733    HD2  TYR  66          2HD       TYR  66  11.440  10.891  -2.923
  734    HE1  TYR  66          1HE       TYR  66  16.288  11.918  -2.511
  735    HE2  TYR  66          2HE       TYR  66  12.189  13.247  -2.918
  736    HH   TYR  66           HH       TYR  66  15.671  14.123  -2.674
  737    QB   TYR  66           QB       TYR  66  12.863   8.260  -2.350
  738    QG   TYR  66           QD       TYR  66  13.482  10.235  -2.717
  739    QZ   TYR  66           QE       TYR  66  14.239  12.583  -2.714
  740    QR   TYR  66           QR       TYR  66  13.860  11.409  -2.716
  741    H    GLY  67           H        GLY  67  10.956   6.858  -3.413
  742   1HA   GLY  67          1HA       GLY  67  10.073   4.692  -3.697
  743   2HA   GLY  67          2HA       GLY  67  11.542   4.183  -4.518
  744    QA   GLY  67           QA       GLY  67  10.807   4.437  -4.108
  745    H    GLU  68           H        GLU  68   9.761   4.039  -1.723
  746    HA   GLU  68           HA       GLU  68   9.924   3.296   0.355
  747   1HB   GLU  68          1HB       GLU  68  10.484   1.260  -0.520
  748   2HB   GLU  68          2HB       GLU  68  12.117   1.724  -0.951
  749   1HG   GLU  68          1HG       GLU  68  12.045   0.161   0.944
  750   2HG   GLU  68          2HG       GLU  68  12.865   1.670   1.304
  751    QB   GLU  68           QB       GLU  68  11.301   1.492  -0.735
  752    QG   GLU  68           QG       GLU  68  12.455   0.915   1.124
  753    H    GLU  69           H        GLU  69  13.366   4.080  -0.422
  754    HA   GLU  69           HA       GLU  69  14.078   5.008   2.110
  755   1HB   GLU  69          1HB       GLU  69  15.979   6.015   1.066
  756   2HB   GLU  69          2HB       GLU  69  15.618   4.497   0.253
  757   1HG   GLU  69          1HG       GLU  69  14.397   5.933  -1.522
  758   2HG   GLU  69          2HG       GLU  69  15.167   7.320  -0.739
  759    QB   GLU  69           QB       GLU  69  15.798   5.256   0.659
  760    QG   GLU  69           QG       GLU  69  14.782   6.626  -1.130
  761    H    GLY  70           H        GLY  70  12.613   6.877  -0.560
  762   1HA   GLY  70          1HA       GLY  70  12.705   9.396   0.841
  763   2HA   GLY  70          2HA       GLY  70  11.703   9.046  -0.538
  764    QA   GLY  70           QA       GLY  70  12.204   9.221   0.151
  765    H    LEU  71           H        LEU  71  10.585   6.616   1.139
  766    HA   LEU  71           HA       LEU  71   8.342   8.287   2.097
  767   1HB   LEU  71          1HB       LEU  71   8.230   6.155   0.503
  768   2HB   LEU  71          2HB       LEU  71   8.223   5.290   2.023
  769    HG   LEU  71           HG       LEU  71   5.962   5.589   1.392
  770   1HD1  LEU  71          2HD1      LEU  71   6.340   6.158   3.801
  771   2HD1  LEU  71          3HD1      LEU  71   6.386   7.877   3.366
  772   3HD1  LEU  71          1HD1      LEU  71   4.918   6.940   3.111
  773   1HD2  LEU  71          1HD2      LEU  71   6.357   7.342  -0.328
  774   2HD2  LEU  71          2HD2      LEU  71   4.948   7.669   0.678
  775   3HD2  LEU  71          3HD2      LEU  71   6.453   8.566   0.948
  776    QB   LEU  71           QB       LEU  71   8.227   5.722   1.263
  777    QD1  LEU  71           QD1      LEU  71   5.881   6.992   3.426
  778    QD2  LEU  71           QD2      LEU  71   5.919   7.859   0.433
  779    QQD  LEU  71           QQD      LEU  71   5.900   7.425   1.929
  780    H    LYS  72           H        LYS  72  10.322   5.450   3.197
  781    HA   LYS  72           HA       LYS  72   9.355   5.838   5.917
  782   1HB   LYS  72          1HB       LYS  72   9.817   3.606   4.760
  783   2HB   LYS  72          2HB       LYS  72  11.534   3.918   4.976
  784   1HG   LYS  72          1HG       LYS  72   9.651   4.084   7.349
  785   2HG   LYS  72          2HG       LYS  72  10.056   2.503   6.719
  786   1HD   LYS  72          1HD       LYS  72  12.203   2.522   7.447
  787   2HD   LYS  72          2HD       LYS  72  12.432   4.245   7.233
  788   1HE   LYS  72          1HE       LYS  72  10.776   3.003   9.484
  789   2HE   LYS  72          2HE       LYS  72  12.467   3.511   9.622
  790   1HZ   LYS  72          3HZ       LYS  72  11.692   5.774   8.956
  791   2HZ   LYS  72          1HZ       LYS  72  10.141   5.252   9.136
  792   3HZ   LYS  72          2HZ       LYS  72  11.125   5.273  10.426
  793    QB   LYS  72           QB       LYS  72  10.676   3.762   4.868
  794    QG   LYS  72           QG       LYS  72   9.854   3.294   7.034
  795    QD   LYS  72           QD       LYS  72  12.317   3.383   7.340
  796    QE   LYS  72           QE       LYS  72  11.622   3.257   9.553
  797    QZ   LYS  72           QZ       LYS  72  10.986   5.433   9.506
  798    H    GLY  73           H        GLY  73  12.148   6.889   4.135
  799   1HA   GLY  73          1HA       GLY  73  14.020   6.942   6.256
  800   2HA   GLY  73          2HA       GLY  73  14.132   7.863   4.752
  801    QA   GLY  73           QA       GLY  73  14.076   7.403   5.504
  802    H    SER  74           H        SER  74  13.409   7.984   8.102
  803    HA   SER  74           HA       SER  74  12.957   9.558   9.589
  804   1HB   SER  74          1HB       SER  74  13.650  11.959   9.122
  805   2HB   SER  74          2HB       SER  74  14.900  10.719   9.103
  806    HG   SER  74           HG       SER  74  13.878  11.005   6.630
  807    QB   SER  74           QB       SER  74  14.275  11.339   9.113
  808    H    GLY  75           H        GLY  75  12.067  12.150   7.383
  809   1HA   GLY  75          1HA       GLY  75   9.414  11.565   6.813
  810   2HA   GLY  75          2HA       GLY  75   9.460  12.269   8.448
  811    QA   GLY  75           QA       GLY  75   9.437  11.917   7.631
  812    H    CYS  76           H        CYS  76   8.160  13.872   6.922
  813    HA   CYS  76           HA       CYS  76   9.958  16.109   6.228
  814   1HB   CYS  76          1HB       CYS  76   8.332  16.575   4.308
  815   2HB   CYS  76          2HB       CYS  76   9.525  15.313   4.023
  816    HG   CYS  76           HG       CYS  76   6.521  14.857   5.267
  817    QB   CYS  76           QB       CYS  76   8.928  15.944   4.165
   
  No H/Q in entry =         817
  Start of MODEL    6
    1    H    MET   0           H        MET   0   8.356   0.484   9.401
    2    HA   MET   0           HA       MET   0   6.403  -0.988   9.371
    3   1HB   MET   0          1HB       MET   0   4.286  -0.312  10.097
    4   2HB   MET   0          2HB       MET   0   5.371   0.134  11.413
    5   1HG   MET   0          1HG       MET   0   4.177   1.980   9.307
    6   2HG   MET   0          2HG       MET   0   3.686   1.870  10.988
    7   1HE   MET   0          2HE       MET   0   4.080   4.572   9.801
    8   2HE   MET   0          3HE       MET   0   5.665   5.363   9.947
    9   3HE   MET   0          1HE       MET   0   5.364   4.194   8.642
   10    QB   MET   0           QB       MET   0   4.828  -0.089  10.755
   11    QG   MET   0           QG       MET   0   3.932   1.925  10.147
   12    QE   MET   0           QE       MET   0   5.037   4.710   9.463
   13    H    GLY   1           H        GLY   1   6.891   2.427   8.276
   14   1HA   GLY   1          1HA       GLY   1   5.472   1.929   5.781
   15   2HA   GLY   1          2HA       GLY   1   6.519   3.293   6.204
   16    QA   GLY   1           QA       GLY   1   5.996   2.611   5.992
   17    H    LYS   2           H        LYS   2   7.217  -0.224   6.287
   18    HA   LYS   2           HA       LYS   2   9.682   0.061   4.734
   19   1HB   LYS   2          1HB       LYS   2   9.863  -2.335   5.161
   20   2HB   LYS   2          2HB       LYS   2   9.495  -1.499   6.646
   21   1HG   LYS   2          1HG       LYS   2   8.079  -3.276   6.871
   22   2HG   LYS   2          2HG       LYS   2   6.980  -2.190   6.060
   23   1HD   LYS   2          1HD       LYS   2   8.362  -3.535   3.965
   24   2HD   LYS   2          2HD       LYS   2   8.098  -4.771   5.195
   25   1HE   LYS   2          1HE       LYS   2   5.684  -4.308   5.186
   26   2HE   LYS   2          2HE       LYS   2   5.911  -2.923   4.127
   27   1HZ   LYS   2          2HZ       LYS   2   6.763  -4.412   2.428
   28   2HZ   LYS   2          3HZ       LYS   2   6.511  -5.714   3.379
   29   3HZ   LYS   2          1HZ       LYS   2   5.226  -4.805   2.861
   30    QB   LYS   2           QB       LYS   2   9.679  -1.917   5.903
   31    QG   LYS   2           QG       LYS   2   7.530  -2.733   6.465
   32    QD   LYS   2           QD       LYS   2   8.230  -4.153   4.580
   33    QE   LYS   2           QE       LYS   2   5.797  -3.615   4.657
   34    QZ   LYS   2           QZ       LYS   2   6.167  -4.977   2.889
   35    H    ASP   3           H        ASP   3   9.740  -0.342   2.454
   36    HA   ASP   3           HA       ASP   3   8.960  -0.103   0.400
   37   1HB   ASP   3          1HB       ASP   3   6.828  -2.103   0.801
   38   2HB   ASP   3          2HB       ASP   3   7.986  -1.912  -0.502
   39    QB   ASP   3           QB       ASP   3   7.407  -2.007   0.150
   40    H    TYR   4           H        TYR   4   6.502  -0.289  -0.824
   41    HA   TYR   4           HA       TYR   4   4.345   0.514   0.829
   42   1HB   TYR   4          1HB       TYR   4   5.087   2.577  -1.275
   43   2HB   TYR   4          2HB       TYR   4   3.510   2.449  -0.495
   44    HD1  TYR   4          1HD       TYR   4   3.526   2.425   2.192
   45    HD2  TYR   4          2HD       TYR   4   6.715   3.907  -0.267
   46    HE1  TYR   4          1HE       TYR   4   4.509   3.531   4.161
   47    HE2  TYR   4          2HE       TYR   4   7.770   4.938   1.705
   48    HH   TYR   4           HH       TYR   4   7.707   5.156   3.924
   49    QB   TYR   4           QB       TYR   4   4.298   2.513  -0.885
   50    QG   TYR   4           QD       TYR   4   5.120   3.166   0.962
   51    QZ   TYR   4           QE       TYR   4   6.139   4.235   2.933
   52    QR   TYR   4           QR       TYR   4   5.630   3.700   1.948
   53    H    TYR   5           H        TYR   5   5.406   0.469  -2.627
   54    HA   TYR   5           HA       TYR   5   3.220  -0.492  -3.938
   55   1HB   TYR   5          1HB       TYR   5   6.186  -0.899  -4.141
   56   2HB   TYR   5          2HB       TYR   5   5.240  -2.113  -4.936
   57    HD1  TYR   5          2HD       TYR   5   2.967  -0.322  -6.100
   58    HD2  TYR   5          1HD       TYR   5   7.294  -0.103  -6.048
   59    HE1  TYR   5          2HE       TYR   5   2.948   0.683  -8.340
   60    HE2  TYR   5          1HE       TYR   5   7.266   0.949  -8.267
   61    HH   TYR   5           HH       TYR   5   4.302   1.172 -10.228
   62    QB   TYR   5           QB       TYR   5   5.713  -1.506  -4.539
   63    QG   TYR   5           QD       TYR   5   5.130  -0.212  -6.074
   64    QZ   TYR   5           QE       TYR   5   5.107   0.816  -8.303
   65    QR   TYR   5           QR       TYR   5   5.119   0.302  -7.189
   66    H    GLN   6           H        GLN   6   5.708  -2.735  -2.608
   67    HA   GLN   6           HA       GLN   6   3.945  -4.908  -3.024
   68   1HB   GLN   6          1HB       GLN   6   6.516  -4.699  -3.065
   69   2HB   GLN   6          2HB       GLN   6   6.484  -4.922  -1.327
   70   1HG   GLN   6          1HG       GLN   6   5.843  -7.164  -1.498
   71   2HG   GLN   6          2HG       GLN   6   4.960  -6.900  -2.977
   72   1HE2  GLN   6          2HE2      GLN   6   8.934  -7.981  -3.151
   73   2HE2  GLN   6          1HE2      GLN   6   8.148  -7.634  -1.633
   74    QB   GLN   6           QB       GLN   6   6.500  -4.811  -2.196
   75    QG   GLN   6           QG       GLN   6   5.402  -7.032  -2.238
   76    QE2  GLN   6           QE2      GLN   6   8.541  -7.808  -2.392
   77    H    THR   7           H        THR   7   4.358  -2.865  -0.263
   78    HA   THR   7           HA       THR   7   3.207  -4.546   1.732
   79    HB   THR   7           HB       THR   7   2.825  -1.545   1.498
   80    HG1  THR   7          1HG       THR   7   4.807  -1.404   2.540
   81   1HG2  THR   7          3HG2      THR   7   3.143  -3.410   3.896
   82   2HG2  THR   7          1HG2      THR   7   3.020  -1.641   3.986
   83   3HG2  THR   7          2HG2      THR   7   1.650  -2.581   3.412
   84    QG2  THR   7           QG2      THR   7   2.605  -2.544   3.765
   85    H    LEU   8           H        LEU   8   1.770  -3.060  -1.054
   86    HA   LEU   8           HA       LEU   8  -0.964  -3.989  -0.211
   87   1HB   LEU   8          1HB       LEU   8  -0.353  -1.503  -0.697
   88   2HB   LEU   8          2HB       LEU   8  -0.206  -1.971  -2.375
   89    HG   LEU   8           HG       LEU   8  -2.274  -0.749  -1.530
   90   1HD1  LEU   8          1HD1      LEU   8  -2.189  -1.865  -3.764
   91   2HD1  LEU   8          2HD1      LEU   8  -3.036  -3.246  -3.023
   92   3HD1  LEU   8          3HD1      LEU   8  -3.790  -1.655  -3.066
   93   1HD2  LEU   8          2HD2      LEU   8  -2.665  -2.106   0.466
   94   2HD2  LEU   8          3HD2      LEU   8  -4.092  -1.988  -0.572
   95   3HD2  LEU   8          1HD2      LEU   8  -3.139  -3.485  -0.563
   96    QB   LEU   8           QB       LEU   8  -0.279  -1.737  -1.536
   97    QD1  LEU   8           QD1      LEU   8  -3.005  -2.255  -3.284
   98    QD2  LEU   8           QD2      LEU   8  -3.299  -2.526  -0.223
   99    QQD  LEU   8           QQD      LEU   8  -3.152  -2.391  -1.754
  100    H    GLY   9           H        GLY   9   1.533  -5.346  -1.499
  101   1HA   GLY   9          1HA       GLY   9   1.560  -7.348  -2.611
  102   2HA   GLY   9          2HA       GLY   9  -0.075  -7.053  -3.211
  103    QA   GLY   9           QA       GLY   9   0.743  -7.201  -2.911
  104    H    LEU  10           H        LEU  10   1.882  -4.330  -3.943
  105    HA   LEU  10           HA       LEU  10   2.012  -5.219  -6.723
  106   1HB   LEU  10          1HB       LEU  10   2.393  -2.508  -5.483
  107   2HB   LEU  10          2HB       LEU  10   2.738  -2.848  -7.141
  108    HG   LEU  10           HG       LEU  10   0.591  -2.141  -7.421
  109   1HD1  LEU  10          2HD1      LEU  10   0.495  -4.533  -8.190
  110   2HD1  LEU  10          3HD1      LEU  10  -0.099  -4.997  -6.571
  111   3HD1  LEU  10          1HD1      LEU  10  -1.072  -3.945  -7.558
  112   1HD2  LEU  10          1HD2      LEU  10   0.222  -1.673  -5.080
  113   2HD2  LEU  10          2HD2      LEU  10  -1.196  -2.484  -5.812
  114   3HD2  LEU  10          3HD2      LEU  10  -0.105  -3.401  -4.771
  115    QB   LEU  10           QB       LEU  10   2.565  -2.678  -6.312
  116    QD1  LEU  10           QD1      LEU  10  -0.225  -4.492  -7.439
  117    QD2  LEU  10           QD2      LEU  10  -0.360  -2.519  -5.221
  118    QQD  LEU  10           QQD      LEU  10  -0.292  -3.506  -6.330
  119    H    ALA  11           H        ALA  11   4.158  -3.969  -7.851
  120    HA   ALA  11           HA       ALA  11   6.581  -4.527  -6.398
  121   1HB   ALA  11          3HB       ALA  11   5.881  -6.092  -8.925
  122   2HB   ALA  11          1HB       ALA  11   7.481  -6.034  -8.157
  123   3HB   ALA  11          2HB       ALA  11   6.122  -6.770  -7.300
  124    QB   ALA  11           QB       ALA  11   6.495  -6.299  -8.128
  125    H    ARG  12           H        ARG  12   8.367  -3.831  -7.769
  126    HA   ARG  12           HA       ARG  12   8.322  -1.332  -8.868
  127   1HB   ARG  12          1HB       ARG  12  10.552  -1.917  -9.773
  128   2HB   ARG  12          2HB       ARG  12  10.329  -2.349  -8.084
  129   1HG   ARG  12          1HG       ARG  12   9.698  -4.550 -10.007
  130   2HG   ARG  12          2HG       ARG  12  11.347  -3.976 -10.074
  131   1HD   ARG  12          1HD       ARG  12   9.900  -4.933  -7.568
  132   2HD   ARG  12          2HD       ARG  12  10.932  -5.953  -8.562
  133    HE   ARG  12           HE       ARG  12  11.735  -4.154  -6.508
  134   1HH1  ARG  12          2HH2      ARG  12  12.934  -5.233  -9.714
  135   2HH1  ARG  12          1HH2      ARG  12  14.536  -4.673  -9.413
  136   1HH2  ARG  12          2HH1      ARG  12  13.775  -3.578  -6.098
  137   2HH2  ARG  12          1HH1      ARG  12  15.058  -3.673  -7.291
  138    QB   ARG  12           QB       ARG  12  10.440  -2.133  -8.928
  139    QG   ARG  12           QG       ARG  12  10.522  -4.263 -10.040
  140    QD   ARG  12           QD       ARG  12  10.416  -5.443  -8.065
  141    QH1  ARG  12           QH2      ARG  12  13.735  -4.953  -9.564
  142    QH2  ARG  12           QH1      ARG  12  14.416  -3.625  -6.694
  143    H    GLY  13           H        GLY  13   6.452  -1.220 -10.320
  144   1HA   GLY  13          1HA       GLY  13   6.593  -0.661 -12.845
  145   2HA   GLY  13          2HA       GLY  13   6.889  -2.386 -13.043
  146    QA   GLY  13           QA       GLY  13   6.741  -1.524 -12.944
  147    H    ALA  14           H        ALA  14   4.817  -2.223 -10.426
  148    HA   ALA  14           HA       ALA  14   2.370  -2.675 -11.926
  149   1HB   ALA  14          2HB       ALA  14   2.808  -3.612  -9.654
  150   2HB   ALA  14          3HB       ALA  14   2.814  -1.931  -9.033
  151   3HB   ALA  14          1HB       ALA  14   1.330  -2.629  -9.722
  152    QB   ALA  14           QB       ALA  14   2.317  -2.724  -9.470
  153    H    SER  15           H        SER  15   0.439  -1.198 -11.455
  154    HA   SER  15           HA       SER  15   1.178   1.665 -11.767
  155   1HB   SER  15          1HB       SER  15  -0.615   1.493 -13.624
  156   2HB   SER  15          2HB       SER  15   0.958   0.746 -13.967
  157    HG   SER  15           HG       SER  15  -1.147  -0.444 -14.354
  158    QB   SER  15           QB       SER  15   0.172   1.120 -13.796
  159    H    ASP  16           H        ASP  16  -0.854   2.999 -11.847
  160    HA   ASP  16           HA       ASP  16  -1.964   2.894  -9.309
  161   1HB   ASP  16          1HB       ASP  16  -1.836   4.742 -11.359
  162   2HB   ASP  16          2HB       ASP  16  -3.567   4.425 -11.289
  163    QB   ASP  16           QB       ASP  16  -2.701   4.583 -11.324
  164    H    GLU  17           H        GLU  17  -3.020   1.458 -12.236
  165    HA   GLU  17           HA       GLU  17  -5.796   0.902 -11.670
  166   1HB   GLU  17          1HB       GLU  17  -4.589   0.986 -13.930
  167   2HB   GLU  17          2HB       GLU  17  -3.716  -0.446 -13.431
  168   1HG   GLU  17          1HG       GLU  17  -5.275  -1.411 -14.729
  169   2HG   GLU  17          2HG       GLU  17  -6.091  -1.537 -13.174
  170    QB   GLU  17           QB       GLU  17  -4.152   0.270 -13.681
  171    QG   GLU  17           QG       GLU  17  -5.683  -1.474 -13.951
  172    H    GLU  18           H        GLU  18  -2.653  -0.660 -10.959
  173    HA   GLU  18           HA       GLU  18  -3.860  -3.224 -10.213
  174   1HB   GLU  18          1HB       GLU  18  -1.270  -2.254 -11.030
  175   2HB   GLU  18          2HB       GLU  18  -1.088  -2.779  -9.404
  176   1HG   GLU  18          1HG       GLU  18  -2.332  -4.496 -11.598
  177   2HG   GLU  18          2HG       GLU  18  -0.648  -4.561 -11.112
  178    QB   GLU  18           QB       GLU  18  -1.179  -2.516 -10.217
  179    QG   GLU  18           QG       GLU  18  -1.490  -4.529 -11.355
  180    H    ILE  19           H        ILE  19  -2.514  -0.196  -8.896
  181    HA   ILE  19           HA       ILE  19  -2.521  -0.910  -6.186
  182    HB   ILE  19           HB       ILE  19  -2.654   1.683  -7.668
  183   1HG1  ILE  19          1HG1      ILE  19  -0.679   0.590  -5.625
  184   2HG1  ILE  19          2HG1      ILE  19  -0.585   0.174  -7.335
  185   1HG2  ILE  19          3HG2      ILE  19  -2.841   1.461  -4.634
  186   2HG2  ILE  19          1HG2      ILE  19  -2.521   2.939  -5.575
  187   3HG2  ILE  19          2HG2      ILE  19  -4.067   2.157  -5.715
  188   1HD1  ILE  19          1HD1      ILE  19  -0.318   2.533  -7.947
  189   2HD1  ILE  19          2HD1      ILE  19  -0.358   2.984  -6.225
  190   3HD1  ILE  19          3HD1      ILE  19   0.951   1.958  -6.853
  191    QG1  ILE  19           QG1      ILE  19  -0.632   0.382  -6.480
  192    QG2  ILE  19           QG2      ILE  19  -3.143   2.186  -5.308
  193    QD1  ILE  19           QD1      ILE  19   0.092   2.492  -7.008
  194    H    LYS  20           H        LYS  20  -5.087   0.922  -7.946
  195    HA   LYS  20           HA       LYS  20  -6.958   0.666  -5.874
  196   1HB   LYS  20          1HB       LYS  20  -7.018   2.144  -8.005
  197   2HB   LYS  20          2HB       LYS  20  -7.826   0.776  -8.782
  198   1HG   LYS  20          1HG       LYS  20  -9.511   0.834  -6.842
  199   2HG   LYS  20          2HG       LYS  20  -8.667   2.272  -6.275
  200   1HD   LYS  20          1HD       LYS  20 -10.458   3.185  -7.372
  201   2HD   LYS  20          2HD       LYS  20  -9.194   3.277  -8.611
  202   1HE   LYS  20          1HE       LYS  20 -10.070   1.216  -9.657
  203   2HE   LYS  20          2HE       LYS  20 -11.316   1.087  -8.394
  204   1HZ   LYS  20          3HZ       LYS  20 -11.025   3.371 -10.247
  205   2HZ   LYS  20          1HZ       LYS  20 -12.093   2.175 -10.481
  206   3HZ   LYS  20          2HZ       LYS  20 -12.229   3.172  -9.159
  207    QB   LYS  20           QB       LYS  20  -7.422   1.460  -8.394
  208    QG   LYS  20           QG       LYS  20  -9.089   1.553  -6.558
  209    QD   LYS  20           QD       LYS  20  -9.826   3.231  -7.992
  210    QE   LYS  20           QE       LYS  20 -10.693   1.152  -9.025
  211    QZ   LYS  20           QZ       LYS  20 -11.782   2.906  -9.963
  212    H    ARG  21           H        ARG  21  -6.134  -1.736  -8.335
  213    HA   ARG  21           HA       ARG  21  -8.474  -3.434  -7.934
  214   1HB   ARG  21          1HB       ARG  21  -7.001  -3.374  -9.958
  215   2HB   ARG  21          2HB       ARG  21  -5.705  -4.100  -9.065
  216   1HG   ARG  21          1HG       ARG  21  -8.422  -5.465  -9.333
  217   2HG   ARG  21          2HG       ARG  21  -7.233  -5.495 -10.630
  218   1HD   ARG  21          1HD       ARG  21  -5.661  -6.292  -8.534
  219   2HD   ARG  21          2HD       ARG  21  -7.223  -6.933  -8.024
  220    HE   ARG  21           HE       ARG  21  -7.180  -8.466  -9.771
  221   1HH1  ARG  21          2HH2      ARG  21  -4.432  -6.198 -10.248
  222   2HH1  ARG  21          1HH2      ARG  21  -4.062  -6.869 -11.808
  223   1HH2  ARG  21          2HH1      ARG  21  -6.155  -9.672 -11.496
  224   2HH2  ARG  21          1HH1      ARG  21  -4.688  -9.030 -12.185
  225    QB   ARG  21           QB       ARG  21  -6.353  -3.737  -9.512
  226    QG   ARG  21           QG       ARG  21  -7.827  -5.480  -9.982
  227    QD   ARG  21           QD       ARG  21  -6.442  -6.613  -8.279
  228    QH1  ARG  21           QH2      ARG  21  -4.247  -6.533 -11.028
  229    QH2  ARG  21           QH1      ARG  21  -5.422  -9.351 -11.841
  230    H    ALA  22           H        ALA  22  -5.061  -3.728  -6.977
  231    HA   ALA  22           HA       ALA  22  -5.413  -5.915  -5.252
  232   1HB   ALA  22          2HB       ALA  22  -3.260  -5.318  -6.259
  233   2HB   ALA  22          3HB       ALA  22  -3.201  -3.841  -5.281
  234   3HB   ALA  22          1HB       ALA  22  -3.134  -5.431  -4.494
  235    QB   ALA  22           QB       ALA  22  -3.198  -4.863  -5.345
  236    H    TYR  23           H        TYR  23  -5.825  -2.413  -4.565
  237    HA   TYR  23           HA       TYR  23  -5.773  -2.253  -1.910
  238   1HB   TYR  23          1HB       TYR  23  -6.759  -0.849  -4.193
  239   2HB   TYR  23          2HB       TYR  23  -8.177  -1.069  -3.287
  240    HD1  TYR  23          2HD       TYR  23  -4.723   0.309  -3.148
  241    HD2  TYR  23          1HD       TYR  23  -8.778   0.443  -1.629
  242    HE1  TYR  23          2HE       TYR  23  -4.218   2.443  -1.966
  243    HE2  TYR  23          1HE       TYR  23  -8.286   2.586  -0.534
  244    HH   TYR  23           HH       TYR  23  -6.716   4.058   0.045
  245    QB   TYR  23           QB       TYR  23  -7.468  -0.959  -3.740
  246    QG   TYR  23           QD       TYR  23  -6.751   0.376  -2.389
  247    QZ   TYR  23           QE       TYR  23  -6.252   2.515  -1.250
  248    QR   TYR  23           QR       TYR  23  -6.501   1.445  -1.819
  249    H    ARG  24           H        ARG  24  -8.871  -3.078  -3.621
  250    HA   ARG  24           HA       ARG  24 -10.127  -3.574  -1.059
  251   1HB   ARG  24          1HB       ARG  24 -11.261  -2.927  -3.366
  252   2HB   ARG  24          2HB       ARG  24 -11.298  -4.681  -3.624
  253   1HG   ARG  24          1HG       ARG  24 -12.429  -4.850  -1.301
  254   2HG   ARG  24          2HG       ARG  24 -12.471  -3.092  -1.297
  255   1HD   ARG  24          1HD       ARG  24 -14.560  -3.457  -2.098
  256   2HD   ARG  24          2HD       ARG  24 -13.726  -3.441  -3.643
  257    HE   ARG  24           HE       ARG  24 -14.853  -5.731  -2.136
  258   1HH1  ARG  24          2HH2      ARG  24 -13.412  -4.642  -5.221
  259   2HH1  ARG  24          1HH2      ARG  24 -13.119  -6.237  -5.802
  260   1HH2  ARG  24          2HH1      ARG  24 -14.930  -7.831  -3.159
  261   2HH2  ARG  24          1HH1      ARG  24 -14.396  -7.980  -4.795
  262    QB   ARG  24           QB       ARG  24 -11.280  -3.804  -3.495
  263    QG   ARG  24           QG       ARG  24 -12.450  -3.971  -1.299
  264    QD   ARG  24           QD       ARG  24 -14.143  -3.449  -2.871
  265    QH1  ARG  24           QH2      ARG  24 -13.266  -5.439  -5.511
  266    QH2  ARG  24           QH1      ARG  24 -14.663  -7.906  -3.977
  267    H    ARG  25           H        ARG  25  -8.569  -5.575  -3.492
  268    HA   ARG  25           HA       ARG  25  -9.141  -8.179  -2.539
  269   1HB   ARG  25          1HB       ARG  25  -8.005  -7.873  -4.647
  270   2HB   ARG  25          2HB       ARG  25  -6.801  -6.850  -3.921
  271   1HG   ARG  25          1HG       ARG  25  -5.971  -8.971  -2.653
  272   2HG   ARG  25          2HG       ARG  25  -6.952  -9.852  -3.836
  273   1HD   ARG  25          1HD       ARG  25  -5.672  -8.736  -5.671
  274   2HD   ARG  25          2HD       ARG  25  -4.752  -7.827  -4.457
  275    HE   ARG  25           HE       ARG  25  -4.642 -10.743  -4.207
  276   1HH1  ARG  25          2HH2      ARG  25  -3.091  -8.084  -5.958
  277   2HH1  ARG  25          1HH2      ARG  25  -1.505  -8.663  -5.800
  278   1HH2  ARG  25          2HH1      ARG  25  -2.599 -11.692  -4.245
  279   2HH2  ARG  25          1HH1      ARG  25  -1.186 -10.826  -4.732
  280    QB   ARG  25           QB       ARG  25  -7.403  -7.361  -4.284
  281    QG   ARG  25           QG       ARG  25  -6.462  -9.411  -3.245
  282    QD   ARG  25           QD       ARG  25  -5.212  -8.282  -5.064
  283    QH1  ARG  25           QH2      ARG  25  -2.298  -8.374  -5.879
  284    QH2  ARG  25           QH1      ARG  25  -1.892 -11.259  -4.488
  285    H    GLN  26           H        GLN  26  -6.350  -5.981  -1.609
  286    HA   GLN  26           HA       GLN  26  -5.524  -7.914   0.248
  287   1HB   GLN  26          1HB       GLN  26  -4.103  -6.022  -0.973
  288   2HB   GLN  26          2HB       GLN  26  -4.573  -5.019   0.387
  289   1HG   GLN  26          1HG       GLN  26  -3.645  -6.720   1.911
  290   2HG   GLN  26          2HG       GLN  26  -3.490  -7.904   0.607
  291   1HE2  GLN  26          2HE2      GLN  26  -0.364  -5.632   1.520
  292   2HE2  GLN  26          1HE2      GLN  26  -1.782  -5.761   2.489
  293    QB   GLN  26           QB       GLN  26  -4.338  -5.521  -0.293
  294    QG   GLN  26           QG       GLN  26  -3.567  -7.312   1.259
  295    QE2  GLN  26           QE2      GLN  26  -1.073  -5.697   2.004
  296    H    ALA  27           H        ALA  27  -7.312  -4.812   0.717
  297    HA   ALA  27           HA       ALA  27  -7.304  -4.893   3.542
  298   1HB   ALA  27          2HB       ALA  27  -9.361  -3.810   1.572
  299   2HB   ALA  27          3HB       ALA  27  -9.478  -3.613   3.331
  300   3HB   ALA  27          1HB       ALA  27  -8.088  -2.931   2.480
  301    QB   ALA  27           QB       ALA  27  -8.976  -3.451   2.461
  302    H    LEU  28           H        LEU  28  -9.592  -6.418   1.200
  303    HA   LEU  28           HA       LEU  28 -11.327  -7.600   3.078
  304   1HB   LEU  28          1HB       LEU  28 -11.719  -7.452   0.625
  305   2HB   LEU  28          2HB       LEU  28 -10.447  -8.649   0.362
  306    HG   LEU  28           HG       LEU  28 -11.798 -10.314   1.685
  307   1HD1  LEU  28          1HD1      LEU  28 -13.849  -8.050   1.636
  308   2HD1  LEU  28          2HD1      LEU  28 -14.249  -9.731   1.999
  309   3HD1  LEU  28          3HD1      LEU  28 -13.171  -8.842   3.078
  310   1HD2  LEU  28          3HD2      LEU  28 -13.195  -9.046  -0.705
  311   2HD2  LEU  28          1HD2      LEU  28 -11.890 -10.254  -0.757
  312   3HD2  LEU  28          2HD2      LEU  28 -13.466 -10.691  -0.088
  313    QB   LEU  28           QB       LEU  28 -11.083  -8.050   0.493
  314    QD1  LEU  28           QD1      LEU  28 -13.756  -8.874   2.237
  315    QD2  LEU  28           QD2      LEU  28 -12.850  -9.997  -0.517
  316    QQD  LEU  28           QQD      LEU  28 -13.303  -9.436   0.860
  317    H    ARG  29           H        ARG  29  -8.303  -8.852   1.643
  318    HA   ARG  29           HA       ARG  29  -8.335 -11.422   2.669
  319   1HB   ARG  29          1HB       ARG  29  -6.650 -10.069   1.075
  320   2HB   ARG  29          2HB       ARG  29  -5.765  -9.858   2.569
  321   1HG   ARG  29          1HG       ARG  29  -6.179 -12.564   2.621
  322   2HG   ARG  29          2HG       ARG  29  -6.226 -12.288   0.885
  323   1HD   ARG  29          1HD       ARG  29  -4.013 -10.765   1.766
  324   2HD   ARG  29          2HD       ARG  29  -3.960 -12.199   2.785
  325    HE   ARG  29           HE       ARG  29  -4.314 -13.023   0.085
  326   1HH1  ARG  29          2HH2      ARG  29  -1.842 -11.923   2.278
  327   2HH1  ARG  29          1HH2      ARG  29  -0.555 -11.780   1.140
  328   1HH2  ARG  29          2HH1      ARG  29  -2.626 -13.349  -1.374
  329   2HH2  ARG  29          1HH1      ARG  29  -1.040 -12.628  -1.113
  330    QB   ARG  29           QB       ARG  29  -6.207  -9.964   1.822
  331    QG   ARG  29           QG       ARG  29  -6.202 -12.426   1.753
  332    QD   ARG  29           QD       ARG  29  -3.986 -11.482   2.275
  333    QH1  ARG  29           QH2      ARG  29  -1.198 -11.852   1.709
  334    QH2  ARG  29           QH1      ARG  29  -1.833 -12.988  -1.244
  335    H    TYR  30           H        TYR  30  -7.094  -8.503   4.279
  336    HA   TYR  30           HA       TYR  30  -6.323 -10.028   6.687
  337   1HB   TYR  30          1HB       TYR  30  -5.778  -7.210   5.693
  338   2HB   TYR  30          2HB       TYR  30  -5.342  -7.742   7.304
  339    HD1  TYR  30          1HD       TYR  30  -4.606  -8.250   3.700
  340    HD2  TYR  30          2HD       TYR  30  -3.456  -9.175   7.745
  341    HE1  TYR  30          1HE       TYR  30  -2.426  -9.101   2.871
  342    HE2  TYR  30          2HE       TYR  30  -1.283 -10.043   6.916
  343    HH   TYR  30           HH       TYR  30  -0.042  -9.422   3.852
  344    QB   TYR  30           QB       TYR  30  -5.560  -7.476   6.499
  345    QG   TYR  30           QD       TYR  30  -4.031  -8.712   5.723
  346    QZ   TYR  30           QE       TYR  30  -1.854  -9.572   4.894
  347    QR   TYR  30           QR       TYR  30  -2.942  -9.142   5.308
  348    H    HIS  31           H        HIS  31  -9.159  -8.462   5.685
  349    HA   HIS  31           HA       HIS  31  -9.694  -6.575   7.606
  350   1HB   HIS  31          1HB       HIS  31 -11.078  -7.825   5.496
  351   2HB   HIS  31          2HB       HIS  31 -12.068  -8.208   6.877
  352    HD1  HIS  31          1HD       HIS  31 -13.185  -5.768   8.188
  353    HD2  HIS  31          2HD       HIS  31 -11.487  -5.716   4.304
  354    HE1  HIS  31          1HE       HIS  31 -14.050  -3.735   7.068
  355    QB   HIS  31           QB       HIS  31 -11.573  -8.017   6.187
  356    HA   PRO  32           HA       PRO  32 -10.137  -9.136  11.314
  357   1HB   PRO  32          1HB       PRO  32 -11.460  -7.425  12.983
  358   2HB   PRO  32          2HB       PRO  32  -9.739  -7.232  12.557
  359   1HG   PRO  32          1HG       PRO  32 -12.127  -5.860  11.264
  360   2HG   PRO  32          2HG       PRO  32 -10.622  -5.099  11.879
  361   1HD   PRO  32          1HD       PRO  32 -10.920  -5.684   9.266
  362   2HD   PRO  32          2HD       PRO  32  -9.347  -5.963  10.078
  363    QB   PRO  32           QB       PRO  32 -10.600  -7.328  12.770
  364    QG   PRO  32           QG       PRO  32 -11.374  -5.480  11.572
  365    QD   PRO  32           QD       PRO  32 -10.133  -5.823   9.672
  366    H    ASP  33           H        ASP  33 -12.758  -7.781   9.506
  367    HA   ASP  33           HA       ASP  33 -14.936  -9.322  10.679
  368   1HB   ASP  33          1HB       ASP  33 -14.655  -7.857   8.022
  369   2HB   ASP  33          2HB       ASP  33 -16.167  -8.459   8.695
  370    QB   ASP  33           QB       ASP  33 -15.411  -8.158   8.358
  371    H    LYS  34           H        LYS  34 -12.403 -10.026   8.372
  372    HA   LYS  34           HA       LYS  34 -14.129 -12.033   6.946
  373   1HB   LYS  34          1HB       LYS  34 -13.572 -10.194   5.427
  374   2HB   LYS  34          2HB       LYS  34 -11.899 -10.235   5.955
  375   1HG   LYS  34          1HG       LYS  34 -12.101 -11.232   3.748
  376   2HG   LYS  34          2HG       LYS  34 -11.456 -12.360   4.919
  377   1HD   LYS  34          1HD       LYS  34 -12.958 -13.563   3.563
  378   2HD   LYS  34          2HD       LYS  34 -13.823 -13.356   5.086
  379   1HE   LYS  34          1HE       LYS  34 -14.982 -11.338   4.076
  380   2HE   LYS  34          2HE       LYS  34 -14.160 -11.702   2.545
  381   1HZ   LYS  34          2HZ       LYS  34 -15.252 -13.866   2.579
  382   2HZ   LYS  34          3HZ       LYS  34 -16.085 -13.429   3.945
  383   3HZ   LYS  34          1HZ       LYS  34 -16.345 -12.628   2.537
  384    QB   LYS  34           QB       LYS  34 -12.735 -10.214   5.691
  385    QG   LYS  34           QG       LYS  34 -11.779 -11.796   4.334
  386    QD   LYS  34           QD       LYS  34 -13.391 -13.459   4.325
  387    QE   LYS  34           QE       LYS  34 -14.571 -11.520   3.311
  388    QZ   LYS  34           QZ       LYS  34 -15.894 -13.308   3.020
  389    H    ASN  35           H        ASN  35 -10.739 -11.302   7.990
  390    HA   ASN  35           HA       ASN  35  -9.905 -14.036   7.362
  391   1HB   ASN  35          1HB       ASN  35  -8.457 -11.830   7.377
  392   2HB   ASN  35          2HB       ASN  35  -8.366 -12.087   9.121
  393   1HD2  ASN  35          2HD2      ASN  35  -5.386 -13.691   7.710
  394   2HD2  ASN  35          1HD2      ASN  35  -6.068 -12.120   7.378
  395    QB   ASN  35           QB       ASN  35  -8.411 -11.958   8.249
  396    QD2  ASN  35           QD2      ASN  35  -5.727 -12.905   7.544
  397    H    LYS  36           H        LYS  36 -10.850 -12.062  10.098
  398    HA   LYS  36           HA       LYS  36 -11.038 -12.278  12.249
  399   1HB   LYS  36          1HB       LYS  36 -11.844 -15.012  11.384
  400   2HB   LYS  36          2HB       LYS  36 -11.688 -14.730  13.107
  401   1HG   LYS  36          1HG       LYS  36 -13.335 -12.900  11.318
  402   2HG   LYS  36          2HG       LYS  36 -14.001 -14.375  12.035
  403   1HD   LYS  36          1HD       LYS  36 -13.540 -13.616  14.281
  404   2HD   LYS  36          2HD       LYS  36 -12.677 -12.177  13.697
  405   1HE   LYS  36          1HE       LYS  36 -14.695 -11.287  12.688
  406   2HE   LYS  36          2HE       LYS  36 -15.587 -12.778  13.065
  407   1HZ   LYS  36          3HZ       LYS  36 -14.431 -10.974  15.102
  408   2HZ   LYS  36          1HZ       LYS  36 -16.017 -11.014  14.647
  409   3HZ   LYS  36          2HZ       LYS  36 -15.350 -12.312  15.378
  410    QB   LYS  36           QB       LYS  36 -11.766 -14.871  12.246
  411    QG   LYS  36           QG       LYS  36 -13.668 -13.637  11.676
  412    QD   LYS  36           QD       LYS  36 -13.108 -12.896  13.989
  413    QE   LYS  36           QE       LYS  36 -15.141 -12.032  12.877
  414    QZ   LYS  36           QZ       LYS  36 -15.266 -11.433  15.042
  415    H    GLU  37           H        GLU  37  -8.347 -13.378  10.762
  416    HA   GLU  37           HA       GLU  37  -7.041 -14.949  12.488
  417   1HB   GLU  37          1HB       GLU  37  -6.294 -14.526  10.314
  418   2HB   GLU  37          2HB       GLU  37  -6.046 -12.803  10.626
  419   1HG   GLU  37          1HG       GLU  37  -4.242 -13.409  12.253
  420   2HG   GLU  37          2HG       GLU  37  -4.503 -15.120  11.876
  421    QB   GLU  37           QB       GLU  37  -6.170 -13.665  10.470
  422    QG   GLU  37           QG       GLU  37  -4.373 -14.265  12.064
  423    HA   PRO  38           HA       PRO  38  -6.483 -12.104  15.956
  424   1HB   PRO  38          1HB       PRO  38  -4.905 -13.648  17.595
  425   2HB   PRO  38          2HB       PRO  38  -6.661 -13.877  17.396
  426   1HG   PRO  38          1HG       PRO  38  -4.421 -15.370  16.006
  427   2HG   PRO  38          2HG       PRO  38  -5.885 -16.038  16.782
  428   1HD   PRO  38          1HD       PRO  38  -5.658 -15.609  14.082
  429   2HD   PRO  38          2HD       PRO  38  -7.222 -15.429  14.933
  430    QB   PRO  38           QB       PRO  38  -5.783 -13.762  17.495
  431    QG   PRO  38           QG       PRO  38  -5.153 -15.704  16.394
  432    QD   PRO  38           QD       PRO  38  -6.440 -15.519  14.508
  433    H    GLY  39           H        GLY  39  -5.114 -10.426  15.917
  434   1HA   GLY  39          1HA       GLY  39  -3.074  -9.339  16.052
  435   2HA   GLY  39          2HA       GLY  39  -2.208 -10.834  15.730
  436    QA   GLY  39           QA       GLY  39  -2.641 -10.087  15.891
  437    H    ALA  40           H        ALA  40  -4.434 -10.750  13.256
  438    HA   ALA  40           HA       ALA  40  -2.680  -9.687  11.224
  439   1HB   ALA  40          1HB       ALA  40  -5.677 -10.200  11.221
  440   2HB   ALA  40          2HB       ALA  40  -4.707  -9.779   9.800
  441   3HB   ALA  40          3HB       ALA  40  -4.381 -11.288  10.652
  442    QB   ALA  40           QB       ALA  40  -4.922 -10.422  10.558
  443    H    GLU  41           H        GLU  41  -4.461  -8.101  13.651
  444    HA   GLU  41           HA       GLU  41  -5.364  -5.751  12.319
  445   1HB   GLU  41          1HB       GLU  41  -6.368  -6.574  14.307
  446   2HB   GLU  41          2HB       GLU  41  -4.827  -6.664  15.152
  447   1HG   GLU  41          1HG       GLU  41  -4.689  -4.273  15.369
  448   2HG   GLU  41          2HG       GLU  41  -6.073  -4.045  14.280
  449    QB   GLU  41           QB       GLU  41  -5.598  -6.619  14.730
  450    QG   GLU  41           QG       GLU  41  -5.381  -4.159  14.825
  451    H    GLU  42           H        GLU  42  -2.232  -6.607  13.804
  452    HA   GLU  42           HA       GLU  42  -1.232  -3.861  13.437
  453   1HB   GLU  42          1HB       GLU  42  -0.311  -5.646  15.100
  454   2HB   GLU  42          2HB       GLU  42   0.526  -6.318  13.715
  455   1HG   GLU  42          1HG       GLU  42   2.008  -4.811  14.907
  456   2HG   GLU  42          2HG       GLU  42   1.641  -4.118  13.333
  457    QB   GLU  42           QB       GLU  42   0.107  -5.982  14.408
  458    QG   GLU  42           QG       GLU  42   1.824  -4.464  14.120
  459    H    LYS  43           H        LYS  43  -1.034  -6.950  11.713
  460    HA   LYS  43           HA       LYS  43   0.547  -6.220   9.546
  461   1HB   LYS  43          1HB       LYS  43  -1.312  -8.351  10.350
  462   2HB   LYS  43          2HB       LYS  43  -1.502  -8.016   8.662
  463   1HG   LYS  43          1HG       LYS  43   0.115  -9.770   8.950
  464   2HG   LYS  43          2HG       LYS  43   0.973  -8.344   8.363
  465   1HD   LYS  43          1HD       LYS  43   1.738  -7.845  10.672
  466   2HD   LYS  43          2HD       LYS  43   0.829  -9.214  11.302
  467   1HE   LYS  43          1HE       LYS  43   2.761  -9.701   9.036
  468   2HE   LYS  43          2HE       LYS  43   3.441  -9.370  10.640
  469   1HZ   LYS  43          1HZ       LYS  43   1.387 -11.453  10.274
  470   2HZ   LYS  43          2HZ       LYS  43   2.988 -11.760  10.087
  471   3HZ   LYS  43          3HZ       LYS  43   2.449 -11.204  11.529
  472    QB   LYS  43           QB       LYS  43  -1.407  -8.184   9.506
  473    QG   LYS  43           QG       LYS  43   0.544  -9.057   8.656
  474    QD   LYS  43           QD       LYS  43   1.284  -8.529  10.987
  475    QE   LYS  43           QE       LYS  43   3.101  -9.535   9.838
  476    QZ   LYS  43           QZ       LYS  43   2.275 -11.472  10.630
  477    H    PHE  44           H        PHE  44  -2.976  -5.934  10.002
  478    HA   PHE  44           HA       PHE  44  -3.743  -4.818   7.597
  479   1HB   PHE  44          1HB       PHE  44  -5.252  -5.530   9.422
  480   2HB   PHE  44          2HB       PHE  44  -4.752  -4.169  10.399
  481    HD1  PHE  44          1HD       PHE  44  -6.506  -5.088   7.223
  482    HD2  PHE  44          2HD       PHE  44  -5.663  -1.979  10.100
  483    HE1  PHE  44          1HE       PHE  44  -8.094  -3.572   6.061
  484    HE2  PHE  44          2HE       PHE  44  -7.253  -0.465   8.900
  485   1HZ   PHE  44           HZ       PHE  44  -8.418  -1.238   6.893
  486    QB   PHE  44           QB       PHE  44  -5.002  -4.849   9.910
  487    QG   PHE  44           QD       PHE  44  -6.085  -3.533   8.661
  488    QZ   PHE  44           QE       PHE  44  -7.674  -2.018   7.480
  489    QZ   PHE  44           QR       PHE  44  -7.187  -2.468   7.835
  490    H    LYS  45           H        LYS  45  -2.417  -3.092  10.460
  491    HA   LYS  45           HA       LYS  45  -2.987  -0.561   9.238
  492   1HB   LYS  45          1HB       LYS  45  -2.262   0.532  11.005
  493   2HB   LYS  45          2HB       LYS  45  -2.644  -1.013  11.767
  494   1HG   LYS  45          1HG       LYS  45  -0.222  -1.581  11.769
  495   2HG   LYS  45          2HG       LYS  45   0.167  -0.067  10.953
  496   1HD   LYS  45          1HD       LYS  45  -1.162  -0.291  13.668
  497   2HD   LYS  45          2HD       LYS  45   0.551  -0.026  13.388
  498   1HE   LYS  45          1HE       LYS  45  -1.639   1.865  12.415
  499   2HE   LYS  45          2HE       LYS  45  -0.802   2.038  13.952
  500   1HZ   LYS  45          3HZ       LYS  45   1.279   2.281  12.717
  501   2HZ   LYS  45          1HZ       LYS  45   0.490   2.260  11.275
  502   3HZ   LYS  45          2HZ       LYS  45   0.176   3.442  12.335
  503    QB   LYS  45           QB       LYS  45  -2.453  -0.240  11.386
  504    QG   LYS  45           QG       LYS  45  -0.027  -0.824  11.361
  505    QD   LYS  45           QD       LYS  45  -0.305  -0.158  13.528
  506    QE   LYS  45           QE       LYS  45  -1.220   1.952  13.183
  507    QZ   LYS  45           QZ       LYS  45   0.648   2.661  12.109
  508    H    GLU  46           H        GLU  46  -0.197  -2.764   8.676
  509    HA   GLU  46           HA       GLU  46   1.587  -0.845   7.793
  510   1HB   GLU  46          1HB       GLU  46   1.607  -3.411   8.644
  511   2HB   GLU  46          2HB       GLU  46   1.237  -3.766   6.961
  512   1HG   GLU  46          1HG       GLU  46   3.030  -2.253   6.356
  513   2HG   GLU  46          2HG       GLU  46   3.641  -2.248   8.020
  514    QB   GLU  46           QB       GLU  46   1.422  -3.588   7.803
  515    QG   GLU  46           QG       GLU  46   3.335  -2.251   7.188
  516    H    ILE  47           H        ILE  47  -0.890  -2.985   6.405
  517    HA   ILE  47           HA       ILE  47  -0.665  -2.341   3.650
  518    HB   ILE  47           HB       ILE  47  -3.137  -3.109   5.143
  519   1HG1  ILE  47          1HG1      ILE  47  -0.992  -4.900   3.928
  520   2HG1  ILE  47          2HG1      ILE  47  -1.240  -4.645   5.634
  521   1HG2  ILE  47          3HG2      ILE  47  -3.494  -2.349   2.747
  522   2HG2  ILE  47          1HG2      ILE  47  -2.325  -3.568   2.210
  523   3HG2  ILE  47          2HG2      ILE  47  -3.877  -4.040   2.932
  524   1HD1  ILE  47          1HD1      ILE  47  -3.606  -5.383   5.419
  525   2HD1  ILE  47          2HD1      ILE  47  -3.195  -5.930   3.789
  526   3HD1  ILE  47          3HD1      ILE  47  -2.325  -6.612   5.183
  527    QG1  ILE  47           QG1      ILE  47  -1.116  -4.773   4.781
  528    QG2  ILE  47           QG2      ILE  47  -3.232  -3.319   2.630
  529    QD1  ILE  47           QD1      ILE  47  -3.042  -5.975   4.797
  530    H    ALA  48           H        ALA  48  -2.654  -1.005   6.329
  531    HA   ALA  48           HA       ALA  48  -4.068   0.992   4.936
  532   1HB   ALA  48          2HB       ALA  48  -4.621   0.065   7.184
  533   2HB   ALA  48          3HB       ALA  48  -3.293   1.058   7.853
  534   3HB   ALA  48          1HB       ALA  48  -4.673   1.833   7.073
  535    QB   ALA  48           QB       ALA  48  -4.196   0.985   7.370
  536    H    GLU  49           H        GLU  49  -0.864   1.093   6.460
  537    HA   GLU  49           HA       GLU  49  -0.360   3.882   6.206
  538   1HB   GLU  49          1HB       GLU  49   1.074   1.537   7.048
  539   2HB   GLU  49          2HB       GLU  49   2.047   2.268   5.792
  540   1HG   GLU  49          1HG       GLU  49   2.845   3.181   7.784
  541   2HG   GLU  49          2HG       GLU  49   1.858   4.459   7.076
  542    QB   GLU  49           QB       GLU  49   1.560   1.903   6.420
  543    QG   GLU  49           QG       GLU  49   2.352   3.820   7.430
  544    H    ALA  50           H        ALA  50   0.381   1.100   4.087
  545    HA   ALA  50           HA       ALA  50   1.458   2.777   1.987
  546   1HB   ALA  50          3HB       ALA  50   2.113   0.408   2.323
  547   2HB   ALA  50          1HB       ALA  50   0.463  -0.107   1.898
  548   3HB   ALA  50          2HB       ALA  50   1.480   0.692   0.687
  549    QB   ALA  50           QB       ALA  50   1.352   0.331   1.636
  550    H    TYR  51           H        TYR  51  -1.740   1.785   2.887
  551    HA   TYR  51           HA       TYR  51  -3.089   1.930   0.406
  552   1HB   TYR  51          1HB       TYR  51  -3.662   1.222   2.983
  553   2HB   TYR  51          2HB       TYR  51  -4.417   2.780   2.989
  554    HD1  TYR  51          1HD       TYR  51  -4.141  -0.400   1.183
  555    HD2  TYR  51          2HD       TYR  51  -6.814   2.705   2.486
  556    HE1  TYR  51          1HE       TYR  51  -6.060  -1.835   0.569
  557    HE2  TYR  51          2HE       TYR  51  -8.761   1.292   1.838
  558    HH   TYR  51           HH       TYR  51  -8.303  -1.982   0.406
  559    QB   TYR  51           QB       TYR  51  -4.039   2.001   2.986
  560    QG   TYR  51           QD       TYR  51  -5.478   1.153   1.835
  561    QZ   TYR  51           QE       TYR  51  -7.411  -0.271   1.203
  562    QR   TYR  51           QR       TYR  51  -6.444   0.441   1.519
  563    H    ASP  52           H        ASP  52  -2.613   4.309   3.089
  564    HA   ASP  52           HA       ASP  52  -3.668   6.622   1.834
  565   1HB   ASP  52          1HB       ASP  52  -2.927   6.359   4.267
  566   2HB   ASP  52          2HB       ASP  52  -1.279   6.619   3.714
  567    QB   ASP  52           QB       ASP  52  -2.103   6.489   3.990
  568    H    VAL  53           H        VAL  53  -0.299   5.402   1.864
  569    HA   VAL  53           HA       VAL  53   0.813   7.516   0.364
  570    HB   VAL  53           HB       VAL  53   1.613   4.608   0.791
  571   1HG1  VAL  53          3HG1      VAL  53   3.118   6.730  -0.748
  572   2HG1  VAL  53          1HG1      VAL  53   3.921   5.330  -0.004
  573   3HG1  VAL  53          2HG1      VAL  53   2.693   5.070  -1.245
  574   1HG2  VAL  53          1HG2      VAL  53   1.655   6.144   2.764
  575   2HG2  VAL  53          2HG2      VAL  53   3.248   5.503   2.332
  576   3HG2  VAL  53          3HG2      VAL  53   2.822   7.161   1.910
  577    QG1  VAL  53           QG1      VAL  53   3.244   5.710  -0.665
  578    QG2  VAL  53           QG2      VAL  53   2.575   6.269   2.336
  579    QQG  VAL  53           QQG      VAL  53   2.910   5.990   0.835
  580    H    LEU  54           H        LEU  54  -0.508   4.350  -0.788
  581    HA   LEU  54           HA       LEU  54   0.253   4.900  -3.517
  582   1HB   LEU  54          1HB       LEU  54  -1.442   2.773  -2.159
  583   2HB   LEU  54          2HB       LEU  54  -1.039   2.804  -3.860
  584    HG   LEU  54           HG       LEU  54   1.187   2.751  -1.839
  585   1HD1  LEU  54          2HD1      LEU  54  -0.347   0.397  -3.028
  586   2HD1  LEU  54          3HD1      LEU  54   1.199   0.266  -2.168
  587   3HD1  LEU  54          1HD1      LEU  54  -0.237   0.841  -1.318
  588   1HD2  LEU  54          2HD2      LEU  54   1.383   3.131  -4.503
  589   2HD2  LEU  54          3HD2      LEU  54   2.569   2.181  -3.590
  590   3HD2  LEU  54          1HD2      LEU  54   1.288   1.380  -4.510
  591    QB   LEU  54           QB       LEU  54  -1.240   2.788  -3.010
  592    QD1  LEU  54           QD1      LEU  54   0.205   0.502  -2.171
  593    QD2  LEU  54           QD2      LEU  54   1.747   2.231  -4.201
  594    QQD  LEU  54           QQD      LEU  54   0.976   1.366  -3.186
  595    H    SER  55           H        SER  55  -2.331   6.106  -1.585
  596    HA   SER  55           HA       SER  55  -3.988   6.460  -4.028
  597   1HB   SER  55          1HB       SER  55  -5.865   6.840  -2.528
  598   2HB   SER  55          2HB       SER  55  -5.173   5.223  -2.422
  599    HG   SER  55           HG       SER  55  -4.240   5.679  -0.522
  600    QB   SER  55           QB       SER  55  -5.519   6.031  -2.475
  601    H    ASP  56           H        ASP  56  -1.782   8.191  -2.050
  602    HA   ASP  56           HA       ASP  56  -2.954  10.712  -3.121
  603   1HB   ASP  56          1HB       ASP  56  -3.007  10.802  -0.750
  604   2HB   ASP  56          2HB       ASP  56  -1.301  10.319  -0.634
  605    QB   ASP  56           QB       ASP  56  -2.154  10.561  -0.692
  606    HA   PRO  57           HA       PRO  57   0.658  10.321  -5.808
  607   1HB   PRO  57          1HB       PRO  57  -0.573  13.009  -6.506
  608   2HB   PRO  57          2HB       PRO  57   0.273  11.845  -7.584
  609   1HG   PRO  57          1HG       PRO  57  -2.407  11.792  -7.503
  610   2HG   PRO  57          2HG       PRO  57  -1.512  10.248  -7.371
  611   1HD   PRO  57          1HD       PRO  57  -2.734  11.903  -5.142
  612   2HD   PRO  57          2HD       PRO  57  -2.785  10.129  -5.394
  613    QB   PRO  57           QB       PRO  57  -0.150  12.427  -7.045
  614    QG   PRO  57           QG       PRO  57  -1.960  11.020  -7.437
  615    QD   PRO  57           QD       PRO  57  -2.760  11.016  -5.268
  616    H    ARG  58           H        ARG  58  -0.082  13.349  -3.894
  617    HA   ARG  58           HA       ARG  58   2.630  14.290  -4.174
  618   1HB   ARG  58          1HB       ARG  58   2.019  16.119  -3.199
  619   2HB   ARG  58          2HB       ARG  58   0.424  15.557  -3.583
  620   1HG   ARG  58          1HG       ARG  58   1.125  14.610  -0.899
  621   2HG   ARG  58          2HG       ARG  58   1.592  16.270  -1.122
  622   1HD   ARG  58          1HD       ARG  58  -0.805  16.692  -1.946
  623   2HD   ARG  58          2HD       ARG  58  -1.184  15.057  -1.454
  624    HE   ARG  58           HE       ARG  58  -0.615  17.406   0.203
  625   1HH1  ARG  58          2HH2      ARG  58  -0.983  13.854   0.281
  626   2HH1  ARG  58          1HH2      ARG  58  -1.554  13.784   1.898
  627   1HH2  ARG  58          2HH1      ARG  58  -1.008  17.330   2.391
  628   2HH2  ARG  58          1HH1      ARG  58  -1.614  15.905   3.185
  629    QB   ARG  58           QB       ARG  58   1.221  15.838  -3.391
  630    QG   ARG  58           QG       ARG  58   1.358  15.440  -1.010
  631    QD   ARG  58           QD       ARG  58  -0.994  15.875  -1.700
  632    QH1  ARG  58           QH2      ARG  58  -1.269  13.819   1.090
  633    QH2  ARG  58           QH1      ARG  58  -1.311  16.618   2.788
  634    H    LYS  59           H        LYS  59   1.123  12.150  -1.790
  635    HA   LYS  59           HA       LYS  59   3.439  12.144  -0.065
  636   1HB   LYS  59          1HB       LYS  59   1.202  11.493   0.727
  637   2HB   LYS  59          2HB       LYS  59   1.098  10.219  -0.474
  638   1HG   LYS  59          1HG       LYS  59   1.552   9.336   1.752
  639   2HG   LYS  59          2HG       LYS  59   2.810   8.932   0.582
  640   1HD   LYS  59          1HD       LYS  59   3.667   9.482   2.837
  641   2HD   LYS  59          2HD       LYS  59   4.354  10.493   1.552
  642   1HE   LYS  59          1HE       LYS  59   2.805  12.319   2.159
  643   2HE   LYS  59          2HE       LYS  59   2.096  11.319   3.441
  644   1HZ   LYS  59          2HZ       LYS  59   4.978  11.724   3.493
  645   2HZ   LYS  59          3HZ       LYS  59   4.069  13.015   3.821
  646   3HZ   LYS  59          1HZ       LYS  59   3.899  11.663   4.756
  647    QB   LYS  59           QB       LYS  59   1.150  10.856   0.127
  648    QG   LYS  59           QG       LYS  59   2.181   9.134   1.167
  649    QD   LYS  59           QD       LYS  59   4.010   9.987   2.195
  650    QE   LYS  59           QE       LYS  59   2.451  11.819   2.800
  651    QZ   LYS  59           QZ       LYS  59   4.315  12.134   4.023
  652    H    ARG  60           H        ARG  60   2.201   9.823  -2.607
  653    HA   ARG  60           HA       ARG  60   4.545   8.308  -2.519
  654   1HB   ARG  60          1HB       ARG  60   2.105   8.079  -3.822
  655   2HB   ARG  60          2HB       ARG  60   3.214   8.372  -5.174
  656   1HG   ARG  60          1HG       ARG  60   4.688   6.555  -4.405
  657   2HG   ARG  60          2HG       ARG  60   3.667   6.360  -2.975
  658   1HD   ARG  60          1HD       ARG  60   2.490   4.852  -4.004
  659   2HD   ARG  60          2HD       ARG  60   1.880   6.078  -5.112
  660    HE   ARG  60           HE       ARG  60   4.503   4.818  -5.719
  661   1HH1  ARG  60          2HH2      ARG  60   1.097   5.228  -6.760
  662   2HH1  ARG  60          1HH2      ARG  60   1.387   4.494  -8.282
  663   1HH2  ARG  60          2HH1      ARG  60   4.804   3.952  -7.735
  664   2HH2  ARG  60          1HH1      ARG  60   3.534   3.725  -8.857
  665    QB   ARG  60           QB       ARG  60   2.660   8.225  -4.498
  666    QG   ARG  60           QG       ARG  60   4.178   6.457  -3.690
  667    QD   ARG  60           QD       ARG  60   2.185   5.465  -4.558
  668    QH1  ARG  60           QH2      ARG  60   1.242   4.861  -7.521
  669    QH2  ARG  60           QH1      ARG  60   4.169   3.839  -8.296
  670    H    GLU  61           H        GLU  61   4.171  11.411  -4.073
  671    HA   GLU  61           HA       GLU  61   5.906  11.430  -6.141
  672   1HB   GLU  61          1HB       GLU  61   4.719  13.393  -5.302
  673   2HB   GLU  61          2HB       GLU  61   5.678  13.422  -3.832
  674   1HG   GLU  61          1HG       GLU  61   7.026  13.744  -6.519
  675   2HG   GLU  61          2HG       GLU  61   6.185  15.100  -5.774
  676    QB   GLU  61           QB       GLU  61   5.199  13.408  -4.567
  677    QG   GLU  61           QG       GLU  61   6.606  14.422  -6.147
  678    H    ILE  62           H        ILE  62   6.880  11.507  -2.715
  679    HA   ILE  62           HA       ILE  62   9.680  11.758  -3.320
  680    HB   ILE  62           HB       ILE  62   8.304  10.827  -0.755
  681   1HG1  ILE  62          1HG1      ILE  62   9.116  13.585  -1.750
  682   2HG1  ILE  62          2HG1      ILE  62   7.496  13.025  -1.340
  683   1HG2  ILE  62          3HG2      ILE  62  10.761  10.232  -0.892
  684   2HG2  ILE  62          1HG2      ILE  62  11.116  11.960  -1.086
  685   3HG2  ILE  62          2HG2      ILE  62  10.362  11.332   0.400
  686   1HD1  ILE  62          2HD1      ILE  62   8.274  12.790   1.059
  687   2HD1  ILE  62          3HD1      ILE  62   9.787  13.594   0.563
  688   3HD1  ILE  62          1HD1      ILE  62   8.255  14.456   0.419
  689    QG1  ILE  62           QG1      ILE  62   8.306  13.305  -1.545
  690    QG2  ILE  62           QG2      ILE  62  10.746  11.175  -0.526
  691    QD1  ILE  62           QD1      ILE  62   8.772  13.613   0.680
  692    H    PHE  63           H        PHE  63   7.531   8.947  -2.789
  693    HA   PHE  63           HA       PHE  63   9.754   7.041  -2.726
  694   1HB   PHE  63          1HB       PHE  63   7.653   6.512  -1.588
  695   2HB   PHE  63          2HB       PHE  63   6.721   6.806  -3.039
  696    HD1  PHE  63          2HD       PHE  63   6.724   5.171  -4.931
  697    HD2  PHE  63          1HD       PHE  63   8.742   4.375  -1.211
  698    HE1  PHE  63          2HE       PHE  63   6.711   2.747  -5.442
  699    HE2  PHE  63          1HE       PHE  63   8.756   1.949  -1.741
  700   1HZ   PHE  63           HZ       PHE  63   7.732   1.128  -3.823
  701    QB   PHE  63           QB       PHE  63   7.187   6.659  -2.314
  702    QG   PHE  63           QD       PHE  63   7.733   4.773  -3.071
  703    QZ   PHE  63           QE       PHE  63   7.734   2.348  -3.591
  704    QZ   PHE  63           QR       PHE  63   7.733   3.074  -3.429
  705    H    ASP  64           H        ASP  64   7.587   8.492  -5.218
  706    HA   ASP  64           HA       ASP  64   8.471   6.698  -7.271
  707   1HB   ASP  64          1HB       ASP  64   6.376   8.208  -7.327
  708   2HB   ASP  64          2HB       ASP  64   7.458   9.521  -7.748
  709    QB   ASP  64           QB       ASP  64   6.917   8.864  -7.538
  710    H    ARG  65           H        ARG  65  10.044   9.270  -5.679
  711    HA   ARG  65           HA       ARG  65  11.954   9.703  -7.926
  712   1HB   ARG  65          1HB       ARG  65  11.096  11.659  -7.233
  713   2HB   ARG  65          2HB       ARG  65  11.035  11.244  -5.555
  714   1HG   ARG  65          1HG       ARG  65  13.143  11.888  -5.082
  715   2HG   ARG  65          2HG       ARG  65  13.763  11.530  -6.720
  716   1HD   ARG  65          1HD       ARG  65  12.404  13.468  -7.577
  717   2HD   ARG  65          2HD       ARG  65  12.010  13.882  -5.909
  718    HE   ARG  65           HE       ARG  65  14.854  13.630  -6.304
  719   1HH1  ARG  65          2HH2      ARG  65  12.179  15.980  -6.553
  720   2HH1  ARG  65          1HH2      ARG  65  13.208  17.269  -7.047
  721   1HH2  ARG  65          2HH1      ARG  65  16.219  15.453  -6.778
  722   2HH2  ARG  65          1HH1      ARG  65  15.490  16.946  -7.268
  723    QB   ARG  65           QB       ARG  65  11.065  11.451  -6.394
  724    QG   ARG  65           QG       ARG  65  13.453  11.709  -5.901
  725    QD   ARG  65           QD       ARG  65  12.207  13.675  -6.743
  726    QH1  ARG  65           QH2      ARG  65  12.693  16.624  -6.800
  727    QH2  ARG  65           QH1      ARG  65  15.855  16.200  -7.023
  728    H    TYR  66           H        TYR  66  11.738   8.868  -4.597
  729    HA   TYR  66           HA       TYR  66  14.427   7.584  -4.402
  730   1HB   TYR  66          1HB       TYR  66  12.991   9.121  -2.237
  731   2HB   TYR  66          2HB       TYR  66  14.620   8.448  -2.144
  732    HD1  TYR  66          1HD       TYR  66  15.612   9.647  -4.899
  733    HD2  TYR  66          2HD       TYR  66  13.529  11.262  -1.472
  734    HE1  TYR  66          1HE       TYR  66  16.480  11.898  -5.420
  735    HE2  TYR  66          2HE       TYR  66  14.423  13.483  -1.980
  736    HH   TYR  66           HH       TYR  66  15.405  14.782  -3.568
  737    QB   TYR  66           QB       TYR  66  13.805   8.785  -2.191
  738    QG   TYR  66           QD       TYR  66  14.570  10.454  -3.186
  739    QZ   TYR  66           QE       TYR  66  15.452  12.691  -3.700
  740    QR   TYR  66           QR       TYR  66  15.011  11.572  -3.443
  741    H    GLY  67           H        GLY  67  12.623   5.952  -5.078
  742   1HA   GLY  67          1HA       GLY  67  10.731   4.662  -3.710
  743   2HA   GLY  67          2HA       GLY  67  12.008   3.758  -4.511
  744    QA   GLY  67           QA       GLY  67  11.370   4.210  -4.110
  745    H    GLU  68           H        GLU  68  10.596   4.667  -1.586
  746    HA   GLU  68           HA       GLU  68  10.599   4.020   0.542
  747   1HB   GLU  68          1HB       GLU  68  10.763   1.789  -0.531
  748   2HB   GLU  68          2HB       GLU  68  12.497   1.817  -0.285
  749   1HG   GLU  68          1HG       GLU  68  10.505   2.094   2.013
  750   2HG   GLU  68          2HG       GLU  68  10.975   0.530   1.352
  751    QB   GLU  68           QB       GLU  68  11.630   1.803  -0.408
  752    QG   GLU  68           QG       GLU  68  10.740   1.312   1.682
  753    H    GLU  69           H        GLU  69  13.835   4.439  -0.860
  754    HA   GLU  69           HA       GLU  69  15.130   4.898   1.607
  755   1HB   GLU  69          1HB       GLU  69  15.826   4.587  -1.100
  756   2HB   GLU  69          2HB       GLU  69  16.223   6.275  -0.789
  757   1HG   GLU  69          1HG       GLU  69  18.149   4.897  -0.307
  758   2HG   GLU  69          2HG       GLU  69  17.544   5.540   1.218
  759    QB   GLU  69           QB       GLU  69  16.025   5.431  -0.944
  760    QG   GLU  69           QG       GLU  69  17.847   5.218   0.455
  761    H    GLY  70           H        GLY  70  13.127   6.996  -0.312
  762   1HA   GLY  70          1HA       GLY  70  14.071   9.456   1.049
  763   2HA   GLY  70          2HA       GLY  70  12.868   9.350  -0.219
  764    QA   GLY  70           QA       GLY  70  13.470   9.403   0.415
  765    H    LEU  71           H        LEU  71  10.952   7.825   0.411
  766    HA   LEU  71           HA       LEU  71   9.625   9.218   2.590
  767   1HB   LEU  71          1HB       LEU  71   8.520   8.759   0.437
  768   2HB   LEU  71          2HB       LEU  71   8.650   7.025   0.715
  769    HG   LEU  71           HG       LEU  71   7.069   7.165   2.598
  770   1HD1  LEU  71          2HD1      LEU  71   6.971  10.158   2.089
  771   2HD1  LEU  71          3HD1      LEU  71   5.910   9.224   3.187
  772   3HD1  LEU  71          1HD1      LEU  71   7.622   9.355   3.534
  773   1HD2  LEU  71          1HD2      LEU  71   6.188   6.903   0.323
  774   2HD2  LEU  71          2HD2      LEU  71   5.074   7.790   1.358
  775   3HD2  LEU  71          3HD2      LEU  71   6.057   8.667   0.163
  776    QB   LEU  71           QB       LEU  71   8.585   7.892   0.576
  777    QD1  LEU  71           QD1      LEU  71   6.834   9.579   2.937
  778    QD2  LEU  71           QD2      LEU  71   5.773   7.787   0.615
  779    QQD  LEU  71           QQD      LEU  71   6.304   8.683   1.776
  780    H    LYS  72           H        LYS  72  11.389   8.281   4.054
  781    HA   LYS  72           HA       LYS  72  10.998   5.551   4.996
  782   1HB   LYS  72          1HB       LYS  72  13.189   6.993   4.869
  783   2HB   LYS  72          2HB       LYS  72  12.612   7.738   6.351
  784   1HG   LYS  72          1HG       LYS  72  14.155   6.005   6.945
  785   2HG   LYS  72          2HG       LYS  72  12.554   5.443   7.411
  786   1HD   LYS  72          1HD       LYS  72  13.796   3.622   6.472
  787   2HD   LYS  72          2HD       LYS  72  12.488   4.014   5.357
  788   1HE   LYS  72          1HE       LYS  72  14.021   5.187   3.869
  789   2HE   LYS  72          2HE       LYS  72  15.357   5.000   5.033
  790   1HZ   LYS  72          3HZ       LYS  72  13.955   2.779   3.675
  791   2HZ   LYS  72          1HZ       LYS  72  15.486   3.327   3.298
  792   3HZ   LYS  72          2HZ       LYS  72  15.182   2.610   4.727
  793    QB   LYS  72           QB       LYS  72  12.901   7.365   5.610
  794    QG   LYS  72           QG       LYS  72  13.355   5.724   7.178
  795    QD   LYS  72           QD       LYS  72  13.142   3.818   5.914
  796    QE   LYS  72           QE       LYS  72  14.689   5.094   4.451
  797    QZ   LYS  72           QZ       LYS  72  14.874   2.905   3.900
  798    H    GLY  73           H        GLY  73   8.602   6.812   5.081
  799   1HA   GLY  73          1HA       GLY  73   6.778   7.261   6.386
  800   2HA   GLY  73          2HA       GLY  73   7.723   6.874   7.837
  801    QA   GLY  73           QA       GLY  73   7.251   7.068   7.112
  802    H    SER  74           H        SER  74   5.991   8.871   7.929
  803    HA   SER  74           HA       SER  74   5.648  10.872   8.822
  804   1HB   SER  74          1HB       SER  74   8.625  11.297   9.008
  805   2HB   SER  74          2HB       SER  74   7.358  11.966  10.041
  806    HG   SER  74           HG       SER  74   8.721  10.023  10.654
  807    QB   SER  74           QB       SER  74   7.991  11.631   9.525
  808    H    GLY  75           H        GLY  75   8.263  11.168   6.389
  809   1HA   GLY  75          1HA       GLY  75   7.068  13.270   4.855
  810   2HA   GLY  75          2HA       GLY  75   8.281  13.902   5.999
  811    QA   GLY  75           QA       GLY  75   7.675  13.586   5.427
  812    H    CYS  76           H        CYS  76  10.510  13.473   5.601
  813    HA   CYS  76           HA       CYS  76  11.384  11.170   4.298
  814   1HB   CYS  76          1HB       CYS  76  12.603  12.198   2.412
  815   2HB   CYS  76          2HB       CYS  76  10.850  12.263   2.216
  816    HG   CYS  76           HG       CYS  76  12.900  14.679   3.234
  817    QB   CYS  76           QB       CYS  76  11.727  12.231   2.314
   
  No H/Q in entry =         817
  Start of MODEL    7
    1    H    MET   0           H        MET   0  15.150   3.380   7.745
    2    HA   MET   0           HA       MET   0  12.809   3.732   6.000
    3   1HB   MET   0          1HB       MET   0  14.315   2.990   4.117
    4   2HB   MET   0          2HB       MET   0  14.512   4.599   4.754
    5   1HG   MET   0          1HG       MET   0  16.663   3.636   4.257
    6   2HG   MET   0          2HG       MET   0  16.510   3.976   5.967
    7   1HE   MET   0          2HE       MET   0  16.992   1.364   3.179
    8   2HE   MET   0          3HE       MET   0  16.822  -0.191   4.005
    9   3HE   MET   0          1HE       MET   0  15.390   0.794   3.685
   10    QB   MET   0           QB       MET   0  14.413   3.794   4.436
   11    QG   MET   0           QG       MET   0  16.587   3.806   5.112
   12    QE   MET   0           QE       MET   0  16.401   0.656   3.623
   13    H    GLY   1           H        GLY   1  13.609   1.132   4.516
   14   1HA   GLY   1          1HA       GLY   1  13.536  -1.127   4.867
   15   2HA   GLY   1          2HA       GLY   1  13.572  -0.884   6.618
   16    QA   GLY   1           QA       GLY   1  13.554  -1.006   5.742
   17    H    LYS   2           H        LYS   2  11.114   1.074   5.925
   18    HA   LYS   2           HA       LYS   2   8.867  -0.755   6.067
   19   1HB   LYS   2          1HB       LYS   2   9.262   2.137   5.179
   20   2HB   LYS   2          2HB       LYS   2   7.711   1.339   4.980
   21   1HG   LYS   2          1HG       LYS   2   9.076   1.495   7.682
   22   2HG   LYS   2          2HG       LYS   2   8.082   2.811   7.061
   23   1HD   LYS   2          1HD       LYS   2   7.049  -0.043   7.444
   24   2HD   LYS   2          2HD       LYS   2   6.917   1.266   8.608
   25   1HE   LYS   2          1HE       LYS   2   4.932   1.672   7.698
   26   2HE   LYS   2          2HE       LYS   2   5.856   2.563   6.479
   27   1HZ   LYS   2          1HZ       LYS   2   4.884  -0.238   6.282
   28   2HZ   LYS   2          2HZ       LYS   2   4.248   1.046   5.509
   29   3HZ   LYS   2          3HZ       LYS   2   5.737   0.507   5.087
   30    QB   LYS   2           QB       LYS   2   8.486   1.738   5.079
   31    QG   LYS   2           QG       LYS   2   8.579   2.153   7.372
   32    QD   LYS   2           QD       LYS   2   6.983   0.612   8.026
   33    QE   LYS   2           QE       LYS   2   5.394   2.118   7.088
   34    QZ   LYS   2           QZ       LYS   2   4.956   0.438   5.626
   35    H    ASP   3           H        ASP   3   7.741  -1.663   4.402
   36    HA   ASP   3           HA       ASP   3   8.518  -1.116   1.595
   37   1HB   ASP   3          1HB       ASP   3   6.738  -3.343   2.636
   38   2HB   ASP   3          2HB       ASP   3   7.146  -3.031   0.955
   39    QB   ASP   3           QB       ASP   3   6.942  -3.187   1.796
   40    H    TYR   4           H        TYR   4   6.550  -0.906   0.281
   41    HA   TYR   4           HA       TYR   4   4.104   0.031   1.645
   42   1HB   TYR   4          1HB       TYR   4   5.658   1.670  -0.402
   43   2HB   TYR   4          2HB       TYR   4   3.964   1.925  -0.006
   44    HD1  TYR   4          2HD       TYR   4   7.387   1.887   1.541
   45    HD2  TYR   4          1HD       TYR   4   3.320   3.263   1.811
   46    HE1  TYR   4          2HE       TYR   4   7.982   3.252   3.477
   47    HE2  TYR   4          1HE       TYR   4   3.892   4.593   3.829
   48    HH   TYR   4           HH       TYR   4   7.308   5.018   4.756
   49    QB   TYR   4           QB       TYR   4   4.811   1.797  -0.204
   50    QG   TYR   4           QD       TYR   4   5.354   2.575   1.676
   51    QZ   TYR   4           QE       TYR   4   5.937   3.923   3.653
   52    QR   TYR   4           QR       TYR   4   5.645   3.249   2.665
   53    H    TYR   5           H        TYR   5   5.639  -0.399  -1.601
   54    HA   TYR   5           HA       TYR   5   3.670  -1.496  -3.125
   55   1HB   TYR   5          1HB       TYR   5   6.643  -2.012  -2.814
   56   2HB   TYR   5          2HB       TYR   5   5.703  -3.032  -3.868
   57    HD1  TYR   5          2HD       TYR   5   4.343  -2.062  -5.750
   58    HD2  TYR   5          1HD       TYR   5   7.432   0.141  -3.672
   59    HE1  TYR   5          2HE       TYR   5   4.614  -0.581  -7.704
   60    HE2  TYR   5          1HE       TYR   5   7.664   1.642  -5.632
   61    HH   TYR   5           HH       TYR   5   6.754   2.240  -7.736
   62    QB   TYR   5           QB       TYR   5   6.173  -2.522  -3.341
   63    QG   TYR   5           QD       TYR   5   5.887  -0.960  -4.711
   64    QZ   TYR   5           QE       TYR   5   6.139   0.531  -6.668
   65    QR   TYR   5           QR       TYR   5   6.013  -0.215  -5.689
   66    H    GLN   6           H        GLN   6   5.965  -3.671  -1.355
   67    HA   GLN   6           HA       GLN   6   4.094  -5.764  -1.750
   68   1HB   GLN   6          1HB       GLN   6   6.852  -5.585  -1.231
   69   2HB   GLN   6          2HB       GLN   6   6.213  -6.381   0.198
   70   1HG   GLN   6          1HG       GLN   6   6.065  -8.326  -0.946
   71   2HG   GLN   6          2HG       GLN   6   4.931  -7.632  -2.075
   72   1HE2  GLN   6          2HE2      GLN   6   7.310  -7.346  -4.707
   73   2HE2  GLN   6          1HE2      GLN   6   5.665  -7.030  -4.161
   74    QB   GLN   6           QB       GLN   6   6.533  -5.983  -0.516
   75    QG   GLN   6           QG       GLN   6   5.498  -7.979  -1.510
   76    QE2  GLN   6           QE2      GLN   6   6.487  -7.188  -4.434
   77    H    THR   7           H        THR   7   4.395  -3.531   1.029
   78    HA   THR   7           HA       THR   7   3.079  -5.201   2.900
   79    HB   THR   7           HB       THR   7   2.639  -2.209   2.547
   80    HG1  THR   7          1HG       THR   7   4.562  -2.000   3.783
   81   1HG2  THR   7          3HG2      THR   7   1.340  -3.330   4.373
   82   2HG2  THR   7          1HG2      THR   7   2.862  -3.939   5.057
   83   3HG2  THR   7          2HG2      THR   7   2.537  -2.193   5.003
   84    QG2  THR   7           QG2      THR   7   2.246  -3.154   4.811
   85    H    LEU   8           H        LEU   8   2.020  -3.534   0.040
   86    HA   LEU   8           HA       LEU   8  -0.762  -4.346   0.519
   87   1HB   LEU   8          1HB       LEU   8  -0.018  -1.866   0.153
   88   2HB   LEU   8          2HB       LEU   8   0.102  -2.320  -1.529
   89    HG   LEU   8           HG       LEU   8  -2.376  -3.105  -1.356
   90   1HD1  LEU   8          1HD1      LEU   8  -2.384  -3.324   1.175
   91   2HD1  LEU   8          2HD1      LEU   8  -2.126  -1.575   1.264
   92   3HD1  LEU   8          3HD1      LEU   8  -3.634  -2.245   0.584
   93   1HD2  LEU   8          2HD2      LEU   8  -1.602  -0.224  -0.878
   94   2HD2  LEU   8          3HD2      LEU   8  -2.181  -1.017  -2.380
   95   3HD2  LEU   8          1HD2      LEU   8  -3.272  -0.725  -1.010
   96    QB   LEU   8           QB       LEU   8   0.042  -2.093  -0.688
   97    QD1  LEU   8           QD1      LEU   8  -2.715  -2.381   1.007
   98    QD2  LEU   8           QD2      LEU   8  -2.352  -0.655  -1.423
   99    QQD  LEU   8           QQD      LEU   8  -2.533  -1.518  -0.208
  100    H    GLY   9           H        GLY   9   1.644  -5.941  -0.591
  101   1HA   GLY   9          1HA       GLY   9   1.727  -7.796  -1.900
  102   2HA   GLY   9          2HA       GLY   9  -0.020  -7.625  -2.135
  103    QA   GLY   9           QA       GLY   9   0.853  -7.711  -2.018
  104    H    LEU  10           H        LEU  10   1.983  -4.941  -3.144
  105    HA   LEU  10           HA       LEU  10   1.656  -5.714  -6.019
  106   1HB   LEU  10          1HB       LEU  10   2.328  -3.047  -4.716
  107   2HB   LEU  10          2HB       LEU  10   2.322  -3.335  -6.447
  108    HG   LEU  10           HG       LEU  10  -0.208  -4.288  -5.444
  109   1HD1  LEU  10          1HD1      LEU  10   0.570  -1.497  -4.509
  110   2HD1  LEU  10          2HD1      LEU  10  -1.093  -2.127  -4.534
  111   3HD1  LEU  10          3HD1      LEU  10   0.129  -2.909  -3.526
  112   1HD2  LEU  10          1HD2      LEU  10   0.249  -3.468  -7.721
  113   2HD2  LEU  10          2HD2      LEU  10  -1.127  -2.680  -6.968
  114   3HD2  LEU  10          3HD2      LEU  10   0.421  -1.808  -7.088
  115    QB   LEU  10           QB       LEU  10   2.325  -3.191  -5.582
  116    QD1  LEU  10           QD1      LEU  10  -0.131  -2.177  -4.190
  117    QD2  LEU  10           QD2      LEU  10  -0.152  -2.652  -7.259
  118    QQD  LEU  10           QQD      LEU  10  -0.142  -2.415  -5.725
  119    H    ALA  11           H        ALA  11   3.603  -4.908  -7.338
  120    HA   ALA  11           HA       ALA  11   6.198  -5.328  -5.932
  121   1HB   ALA  11          2HB       ALA  11   5.308  -6.336  -8.676
  122   2HB   ALA  11          3HB       ALA  11   6.952  -6.445  -8.034
  123   3HB   ALA  11          1HB       ALA  11   5.637  -7.342  -7.243
  124    QB   ALA  11           QB       ALA  11   5.966  -6.708  -7.984
  125    H    ARG  12           H        ARG  12   7.960  -4.219  -6.973
  126    HA   ARG  12           HA       ARG  12   7.386  -1.652  -8.267
  127   1HB   ARG  12          1HB       ARG  12   9.934  -3.315  -7.994
  128   2HB   ARG  12          2HB       ARG  12   9.828  -1.902  -9.030
  129   1HG   ARG  12          1HG       ARG  12  10.764  -1.042  -7.160
  130   2HG   ARG  12          2HG       ARG  12   9.094  -0.541  -6.997
  131   1HD   ARG  12          1HD       ARG  12   8.711  -1.935  -5.152
  132   2HD   ARG  12          2HD       ARG  12   9.920  -3.116  -5.644
  133    HE   ARG  12           HE       ARG  12  10.350  -0.749  -4.003
  134   1HH1  ARG  12          2HH2      ARG  12  11.932  -3.232  -5.992
  135   2HH1  ARG  12          1HH2      ARG  12  13.528  -2.636  -5.747
  136   1HH2  ARG  12          2HH1      ARG  12  12.577  -0.070  -3.471
  137   2HH2  ARG  12          1HH1      ARG  12  13.854  -0.772  -4.406
  138    QB   ARG  12           QB       ARG  12   9.881  -2.609  -8.512
  139    QG   ARG  12           QG       ARG  12   9.929  -0.791  -7.079
  140    QD   ARG  12           QD       ARG  12   9.315  -2.526  -5.398
  141    QH1  ARG  12           QH2      ARG  12  12.730  -2.934  -5.869
  142    QH2  ARG  12           QH1      ARG  12  13.215  -0.421  -3.939
  143    H    GLY  13           H        GLY  13   6.510  -1.551 -10.231
  144   1HA   GLY  13          1HA       GLY  13   6.884  -2.426 -12.663
  145   2HA   GLY  13          2HA       GLY  13   6.407  -3.961 -11.923
  146    QA   GLY  13           QA       GLY  13   6.645  -3.193 -12.293
  147    H    ALA  14           H        ALA  14   4.570  -2.525  -9.945
  148    HA   ALA  14           HA       ALA  14   2.148  -2.544 -11.426
  149   1HB   ALA  14          1HB       ALA  14   2.845  -1.240  -8.754
  150   2HB   ALA  14          2HB       ALA  14   1.217  -1.529  -9.347
  151   3HB   ALA  14          3HB       ALA  14   2.282  -2.906  -8.984
  152    QB   ALA  14           QB       ALA  14   2.115  -1.892  -9.028
  153    H    SER  15           H        SER  15   0.661  -0.763 -11.758
  154    HA   SER  15           HA       SER  15   1.644   2.008 -11.635
  155   1HB   SER  15          1HB       SER  15   0.314   2.473 -13.707
  156   2HB   SER  15          2HB       SER  15   1.680   1.392 -14.023
  157    HG   SER  15           HG       SER  15   0.184   0.201 -14.877
  158    QB   SER  15           QB       SER  15   0.997   1.932 -13.865
  159    H    ASP  16           H        ASP  16  -0.466   3.425 -11.643
  160    HA   ASP  16           HA       ASP  16  -1.869   2.580  -9.456
  161   1HB   ASP  16          1HB       ASP  16  -3.204   4.514  -9.508
  162   2HB   ASP  16          2HB       ASP  16  -1.539   4.870  -9.945
  163    QB   ASP  16           QB       ASP  16  -2.371   4.692  -9.726
  164    H    GLU  17           H        GLU  17  -2.628   1.652 -12.669
  165    HA   GLU  17           HA       GLU  17  -5.388   0.833 -12.106
  166   1HB   GLU  17          1HB       GLU  17  -4.492   1.427 -14.387
  167   2HB   GLU  17          2HB       GLU  17  -3.422   0.028 -14.297
  168   1HG   GLU  17          1HG       GLU  17  -5.397  -0.448 -15.669
  169   2HG   GLU  17          2HG       GLU  17  -5.360  -1.492 -14.268
  170    QB   GLU  17           QB       GLU  17  -3.957   0.727 -14.342
  171    QG   GLU  17           QG       GLU  17  -5.379  -0.970 -14.968
  172    H    GLU  18           H        GLU  18  -2.305  -0.430 -11.300
  173    HA   GLU  18           HA       GLU  18  -3.369  -3.132 -10.699
  174   1HB   GLU  18          1HB       GLU  18  -0.813  -1.971 -11.408
  175   2HB   GLU  18          2HB       GLU  18  -0.694  -2.496  -9.744
  176   1HG   GLU  18          1HG       GLU  18  -1.547  -4.239 -12.066
  177   2HG   GLU  18          2HG       GLU  18   0.075  -4.155 -11.404
  178    QB   GLU  18           QB       GLU  18  -0.754  -2.233 -10.576
  179    QG   GLU  18           QG       GLU  18  -0.736  -4.197 -11.735
  180    H    ILE  19           H        ILE  19  -2.533   0.048  -9.334
  181    HA   ILE  19           HA       ILE  19  -2.099  -0.729  -6.639
  182    HB   ILE  19           HB       ILE  19  -2.952   1.924  -7.810
  183   1HG1  ILE  19          1HG1      ILE  19  -0.602   0.975  -8.298
  184   2HG1  ILE  19          2HG1      ILE  19  -0.701   2.614  -7.665
  185   1HG2  ILE  19          2HG2      ILE  19  -2.260   1.340  -4.924
  186   2HG2  ILE  19          3HG2      ILE  19  -2.283   2.951  -5.684
  187   3HG2  ILE  19          1HG2      ILE  19  -3.764   2.030  -5.568
  188   1HD1  ILE  19          3HD1      ILE  19  -0.145   0.241  -5.893
  189   2HD1  ILE  19          1HD1      ILE  19   1.117   1.142  -6.763
  190   3HD1  ILE  19          2HD1      ILE  19   0.096   1.984  -5.581
  191    QG1  ILE  19           QG1      ILE  19  -0.652   1.794  -7.981
  192    QG2  ILE  19           QG2      ILE  19  -2.769   2.107  -5.392
  193    QD1  ILE  19           QD1      ILE  19   0.356   1.122  -6.079
  194    H    LYS  20           H        LYS  20  -5.024   0.946  -7.963
  195    HA   LYS  20           HA       LYS  20  -6.418   0.463  -5.501
  196   1HB   LYS  20          1HB       LYS  20  -7.503   1.250  -8.195
  197   2HB   LYS  20          2HB       LYS  20  -8.555   0.848  -6.842
  198   1HG   LYS  20          1HG       LYS  20  -7.456   2.493  -5.410
  199   2HG   LYS  20          2HG       LYS  20  -6.390   2.987  -6.723
  200   1HD   LYS  20          1HD       LYS  20  -9.439   3.101  -6.923
  201   2HD   LYS  20          2HD       LYS  20  -8.518   4.419  -6.229
  202   1HE   LYS  20          1HE       LYS  20  -8.149   3.343  -9.049
  203   2HE   LYS  20          2HE       LYS  20  -9.079   4.776  -8.624
  204   1HZ   LYS  20          2HZ       LYS  20  -6.179   4.486  -8.118
  205   2HZ   LYS  20          3HZ       LYS  20  -6.847   5.305  -9.370
  206   3HZ   LYS  20          1HZ       LYS  20  -7.078   5.818  -7.823
  207    QB   LYS  20           QB       LYS  20  -8.029   1.049  -7.519
  208    QG   LYS  20           QG       LYS  20  -6.923   2.740  -6.067
  209    QD   LYS  20           QD       LYS  20  -8.978   3.760  -6.576
  210    QE   LYS  20           QE       LYS  20  -8.614   4.059  -8.837
  211    QZ   LYS  20           QZ       LYS  20  -6.701   5.203  -8.437
  212    H    ARG  21           H        ARG  21  -6.246  -1.418  -8.445
  213    HA   ARG  21           HA       ARG  21  -7.985  -3.512  -8.035
  214   1HB   ARG  21          1HB       ARG  21  -5.857  -2.813  -9.724
  215   2HB   ARG  21          2HB       ARG  21  -5.228  -4.235  -8.954
  216   1HG   ARG  21          1HG       ARG  21  -6.238  -4.884 -10.973
  217   2HG   ARG  21          2HG       ARG  21  -7.313  -5.475  -9.687
  218   1HD   ARG  21          1HD       ARG  21  -8.917  -3.750 -10.126
  219   2HD   ARG  21          2HD       ARG  21  -7.765  -2.801 -11.072
  220    HE   ARG  21           HE       ARG  21  -9.104  -5.317 -11.888
  221   1HH1  ARG  21          2HH2      ARG  21  -7.068  -2.494 -12.885
  222   2HH1  ARG  21          1HH2      ARG  21  -7.138  -2.944 -14.551
  223   1HH2  ARG  21          2HH1      ARG  21  -9.098  -5.821 -14.132
  224   2HH2  ARG  21          1HH1      ARG  21  -8.169  -4.854 -15.233
  225    QB   ARG  21           QB       ARG  21  -5.542  -3.524  -9.339
  226    QG   ARG  21           QG       ARG  21  -6.775  -5.179 -10.330
  227    QD   ARG  21           QD       ARG  21  -8.341  -3.275 -10.599
  228    QH1  ARG  21           QH2      ARG  21  -7.103  -2.719 -13.718
  229    QH2  ARG  21           QH1      ARG  21  -8.633  -5.337 -14.683
  230    H    ALA  22           H        ALA  22  -4.628  -3.298  -6.817
  231    HA   ALA  22           HA       ALA  22  -4.826  -5.582  -5.040
  232   1HB   ALA  22          1HB       ALA  22  -2.801  -3.344  -5.254
  233   2HB   ALA  22          2HB       ALA  22  -2.594  -4.834  -4.310
  234   3HB   ALA  22          3HB       ALA  22  -2.712  -4.909  -6.082
  235    QB   ALA  22           QB       ALA  22  -2.703  -4.362  -5.216
  236    H    TYR  23           H        TYR  23  -5.222  -1.981  -4.441
  237    HA   TYR  23           HA       TYR  23  -4.909  -2.189  -1.653
  238   1HB   TYR  23          1HB       TYR  23  -4.489  -0.059  -2.506
  239   2HB   TYR  23          2HB       TYR  23  -5.450  -0.318  -3.873
  240    HD1  TYR  23          1HD       TYR  23  -7.959  -0.067  -3.866
  241    HD2  TYR  23          2HD       TYR  23  -5.222   1.524  -0.905
  242    HE1  TYR  23          1HE       TYR  23  -9.522   1.739  -3.428
  243    HE2  TYR  23          2HE       TYR  23  -6.801   3.363  -0.468
  244    HH   TYR  23           HH       TYR  23  -8.889   4.168  -0.850
  245    QB   TYR  23           QB       TYR  23  -4.969  -0.189  -3.189
  246    QG   TYR  23           QD       TYR  23  -6.590   0.728  -2.386
  247    QZ   TYR  23           QE       TYR  23  -8.161   2.551  -1.948
  248    QR   TYR  23           QR       TYR  23  -7.376   1.640  -2.167
  249    H    ARG  24           H        ARG  24  -7.733  -2.271  -3.844
  250    HA   ARG  24           HA       ARG  24  -9.693  -2.149  -1.783
  251   1HB   ARG  24          1HB       ARG  24  -9.748  -1.888  -4.444
  252   2HB   ARG  24          2HB       ARG  24 -10.238  -3.580  -4.389
  253   1HG   ARG  24          1HG       ARG  24 -12.182  -2.915  -2.957
  254   2HG   ARG  24          2HG       ARG  24 -11.564  -1.249  -2.915
  255   1HD   ARG  24          1HD       ARG  24 -13.170  -1.183  -4.662
  256   2HD   ARG  24          2HD       ARG  24 -11.634  -1.266  -5.471
  257    HE   ARG  24           HE       ARG  24 -12.175  -3.275  -6.354
  258   1HH1  ARG  24          2HH2      ARG  24 -14.577  -2.413  -3.896
  259   2HH1  ARG  24          1HH2      ARG  24 -15.770  -3.517  -4.425
  260   1HH2  ARG  24          2HH1      ARG  24 -13.621  -5.029  -6.885
  261   2HH2  ARG  24          1HH1      ARG  24 -15.263  -4.872  -6.318
  262    QB   ARG  24           QB       ARG  24  -9.993  -2.734  -4.416
  263    QG   ARG  24           QG       ARG  24 -11.873  -2.082  -2.936
  264    QD   ARG  24           QD       ARG  24 -12.402  -1.224  -5.066
  265    QH1  ARG  24           QH2      ARG  24 -15.173  -2.965  -4.160
  266    QH2  ARG  24           QH1      ARG  24 -14.442  -4.951  -6.601
  267    H    ARG  25           H        ARG  25  -8.333  -4.949  -3.607
  268    HA   ARG  25           HA       ARG  25  -9.642  -6.878  -1.945
  269   1HB   ARG  25          1HB       ARG  25  -8.209  -8.558  -2.942
  270   2HB   ARG  25          2HB       ARG  25  -8.906  -7.495  -4.150
  271   1HG   ARG  25          1HG       ARG  25  -6.800  -7.704  -4.982
  272   2HG   ARG  25          2HG       ARG  25  -6.656  -6.245  -4.045
  273   1HD   ARG  25          1HD       ARG  25  -4.717  -7.367  -3.457
  274   2HD   ARG  25          2HD       ARG  25  -5.759  -7.861  -2.132
  275    HE   ARG  25           HE       ARG  25  -6.242  -9.953  -3.403
  276   1HH1  ARG  25          2HH2      ARG  25  -3.125  -8.276  -4.031
  277   2HH1  ARG  25          1HH2      ARG  25  -2.508  -9.599  -4.961
  278   1HH2  ARG  25          2HH1      ARG  25  -5.292 -11.720  -4.514
  279   2HH2  ARG  25          1HH1      ARG  25  -3.629 -11.660  -4.952
  280    QB   ARG  25           QB       ARG  25  -8.558  -8.026  -3.546
  281    QG   ARG  25           QG       ARG  25  -6.728  -6.974  -4.513
  282    QD   ARG  25           QD       ARG  25  -5.238  -7.614  -2.794
  283    QH1  ARG  25           QH2      ARG  25  -2.817  -8.937  -4.496
  284    QH2  ARG  25           QH1      ARG  25  -4.460 -11.690  -4.733
  285    H    GLN  26           H        GLN  26  -6.515  -5.091  -1.439
  286    HA   GLN  26           HA       GLN  26  -5.570  -6.997   0.415
  287   1HB   GLN  26          1HB       GLN  26  -4.879  -4.228  -0.453
  288   2HB   GLN  26          2HB       GLN  26  -4.370  -4.631   1.174
  289   1HG   GLN  26          1HG       GLN  26  -3.738  -6.275  -1.318
  290   2HG   GLN  26          2HG       GLN  26  -2.677  -5.113  -0.548
  291   1HE2  GLN  26          2HE2      GLN  26  -1.636  -7.285   2.100
  292   2HE2  GLN  26          1HE2      GLN  26  -1.704  -5.631   1.614
  293    QB   GLN  26           QB       GLN  26  -4.624  -4.429   0.360
  294    QG   GLN  26           QG       GLN  26  -3.208  -5.694  -0.933
  295    QE2  GLN  26           QE2      GLN  26  -1.670  -6.458   1.857
  296    H    ALA  27           H        ALA  27  -7.506  -3.986   0.963
  297    HA   ALA  27           HA       ALA  27  -7.632  -4.311   3.804
  298   1HB   ALA  27          3HB       ALA  27  -9.696  -3.163   1.866
  299   2HB   ALA  27          1HB       ALA  27  -9.796  -3.074   3.640
  300   3HB   ALA  27          2HB       ALA  27  -8.462  -2.276   2.802
  301    QB   ALA  27           QB       ALA  27  -9.318  -2.837   2.770
  302    H    LEU  28           H        LEU  28  -9.754  -5.560   1.199
  303    HA   LEU  28           HA       LEU  28 -11.498  -7.051   2.786
  304   1HB   LEU  28          1HB       LEU  28 -11.487  -6.374   0.230
  305   2HB   LEU  28          2HB       LEU  28 -10.618  -7.882   0.006
  306    HG   LEU  28           HG       LEU  28 -12.810  -8.660   1.558
  307   1HD1  LEU  28          2HD1      LEU  28 -13.836  -6.430   1.297
  308   2HD1  LEU  28          3HD1      LEU  28 -13.797  -6.619  -0.470
  309   3HD1  LEU  28          1HD1      LEU  28 -14.797  -7.700   0.527
  310   1HD2  LEU  28          1HD2      LEU  28 -12.544  -8.661  -1.469
  311   2HD2  LEU  28          2HD2      LEU  28 -11.948  -9.910  -0.342
  312   3HD2  LEU  28          3HD2      LEU  28 -13.689  -9.646  -0.534
  313    QB   LEU  28           QB       LEU  28 -11.052  -7.128   0.118
  314    QD1  LEU  28           QD1      LEU  28 -14.143  -6.917   0.451
  315    QD2  LEU  28           QD2      LEU  28 -12.727  -9.406  -0.782
  316    QQD  LEU  28           QQD      LEU  28 -13.435  -8.161  -0.165
  317    H    ARG  29           H        ARG  29  -8.124  -7.832   2.269
  318    HA   ARG  29           HA       ARG  29  -8.489 -10.713   2.566
  319   1HB   ARG  29          1HB       ARG  29  -6.921  -9.750   0.938
  320   2HB   ARG  29          2HB       ARG  29  -6.102  -8.863   2.200
  321   1HG   ARG  29          1HG       ARG  29  -4.741 -10.669   1.553
  322   2HG   ARG  29          2HG       ARG  29  -5.291 -10.902   3.209
  323   1HD   ARG  29          1HD       ARG  29  -6.664 -12.259   0.851
  324   2HD   ARG  29          2HD       ARG  29  -5.204 -12.934   1.587
  325    HE   ARG  29           HE       ARG  29  -6.888 -12.425   3.711
  326   1HH1  ARG  29          2HH2      ARG  29  -6.995 -14.617   0.844
  327   2HH1  ARG  29          1HH2      ARG  29  -8.241 -15.585   1.553
  328   1HH2  ARG  29          2HH1      ARG  29  -8.127 -14.019   4.715
  329   2HH2  ARG  29          1HH1      ARG  29  -8.748 -15.372   3.875
  330    QB   ARG  29           QB       ARG  29  -6.512  -9.307   1.569
  331    QG   ARG  29           QG       ARG  29  -5.016 -10.785   2.381
  332    QD   ARG  29           QD       ARG  29  -5.934 -12.597   1.219
  333    QH1  ARG  29           QH2      ARG  29  -7.618 -15.101   1.199
  334    QH2  ARG  29           QH1      ARG  29  -8.437 -14.696   4.295
  335    H    TYR  30           H        TYR  30  -7.798  -7.888   4.568
  336    HA   TYR  30           HA       TYR  30  -7.221  -9.723   6.875
  337   1HB   TYR  30          1HB       TYR  30  -5.866  -7.057   6.301
  338   2HB   TYR  30          2HB       TYR  30  -5.547  -8.097   7.672
  339    HD1  TYR  30          2HD       TYR  30  -4.220 -10.128   7.452
  340    HD2  TYR  30          1HD       TYR  30  -4.977  -7.561   4.102
  341    HE1  TYR  30          2HE       TYR  30  -2.339 -11.207   6.229
  342    HE2  TYR  30          1HE       TYR  30  -3.164  -8.646   2.837
  343    HH   TYR  30           HH       TYR  30  -0.938 -11.002   4.292
  344    QB   TYR  30           QB       TYR  30  -5.707  -7.577   6.987
  345    QG   TYR  30           QD       TYR  30  -4.599  -8.844   5.777
  346    QZ   TYR  30           QE       TYR  30  -2.752  -9.927   4.533
  347    QR   TYR  30           QR       TYR  30  -3.675  -9.386   5.155
  348    H    HIS  31           H        HIS  31  -9.373  -7.300   5.824
  349    HA   HIS  31           HA       HIS  31  -9.600  -5.769   8.157
  350   1HB   HIS  31          1HB       HIS  31 -10.636  -5.403   5.832
  351   2HB   HIS  31          2HB       HIS  31 -11.882  -6.508   6.317
  352    HD1  HIS  31          1HD       HIS  31 -10.464  -3.703   8.635
  353    HD2  HIS  31          2HD       HIS  31 -13.727  -4.609   6.153
  354    HE1  HIS  31          1HE       HIS  31 -12.224  -1.910   9.080
  355    QB   HIS  31           QB       HIS  31 -11.259  -5.956   6.074
  356    HA   PRO  32           HA       PRO  32 -10.889  -9.110  10.791
  357   1HB   PRO  32          1HB       PRO  32 -11.274  -7.822  13.169
  358   2HB   PRO  32          2HB       PRO  32  -9.663  -8.032  12.417
  359   1HG   PRO  32          1HG       PRO  32 -11.493  -5.617  12.245
  360   2HG   PRO  32          2HG       PRO  32  -9.752  -5.655  12.681
  361   1HD   PRO  32          1HD       PRO  32 -10.600  -5.104  10.165
  362   2HD   PRO  32          2HD       PRO  32  -9.106  -6.060  10.444
  363    QB   PRO  32           QB       PRO  32 -10.469  -7.927  12.793
  364    QG   PRO  32           QG       PRO  32 -10.623  -5.636  12.463
  365    QD   PRO  32           QD       PRO  32  -9.853  -5.582  10.305
  366    H    ASP  33           H        ASP  33 -13.041  -7.123   9.328
  367    HA   ASP  33           HA       ASP  33 -15.451  -7.839  10.830
  368   1HB   ASP  33          1HB       ASP  33 -16.576  -6.440   9.312
  369   2HB   ASP  33          2HB       ASP  33 -15.046  -5.601   9.558
  370    QB   ASP  33           QB       ASP  33 -15.811  -6.021   9.435
  371    H    LYS  34           H        LYS  34 -13.344  -9.014   8.370
  372    HA   LYS  34           HA       LYS  34 -15.283 -11.117   7.498
  373   1HB   LYS  34          1HB       LYS  34 -15.172  -9.442   5.798
  374   2HB   LYS  34          2HB       LYS  34 -13.419  -9.278   5.968
  375   1HG   LYS  34          1HG       LYS  34 -13.030 -11.484   5.020
  376   2HG   LYS  34          2HG       LYS  34 -14.786 -11.772   4.901
  377   1HD   LYS  34          1HD       LYS  34 -14.997 -10.116   3.166
  378   2HD   LYS  34          2HD       LYS  34 -13.411  -9.432   3.550
  379   1HE   LYS  34          1HE       LYS  34 -13.283 -10.797   1.499
  380   2HE   LYS  34          2HE       LYS  34 -12.255 -11.424   2.786
  381   1HZ   LYS  34          2HZ       LYS  34 -14.069 -13.031   3.267
  382   2HZ   LYS  34          3HZ       LYS  34 -14.864 -12.503   1.910
  383   3HZ   LYS  34          1HZ       LYS  34 -13.409 -13.229   1.772
  384    QB   LYS  34           QB       LYS  34 -14.295  -9.360   5.883
  385    QG   LYS  34           QG       LYS  34 -13.908 -11.628   4.960
  386    QD   LYS  34           QD       LYS  34 -14.204  -9.774   3.358
  387    QE   LYS  34           QE       LYS  34 -12.769 -11.111   2.142
  388    QZ   LYS  34           QZ       LYS  34 -14.114 -12.921   2.316
  389    H    ASN  35           H        ASN  35 -11.845 -10.356   8.311
  390    HA   ASN  35           HA       ASN  35 -11.309 -13.236   8.305
  391   1HB   ASN  35          1HB       ASN  35 -10.544 -12.269   6.022
  392   2HB   ASN  35          2HB       ASN  35  -9.381 -11.308   6.933
  393   1HD2  ASN  35          2HD2      ASN  35  -7.078 -13.929   6.645
  394   2HD2  ASN  35          1HD2      ASN  35  -7.543 -12.322   6.132
  395    QB   ASN  35           QB       ASN  35  -9.963 -11.788   6.478
  396    QD2  ASN  35           QD2      ASN  35  -7.311 -13.125   6.388
  397    H    LYS  36           H        LYS  36 -10.933 -13.314  10.459
  398    HA   LYS  36           HA       LYS  36  -9.249 -11.209  11.726
  399   1HB   LYS  36          1HB       LYS  36 -10.810 -13.450  12.935
  400   2HB   LYS  36          2HB       LYS  36  -9.629 -12.472  13.828
  401   1HG   LYS  36          1HG       LYS  36 -10.897 -10.402  13.197
  402   2HG   LYS  36          2HG       LYS  36 -12.087 -11.397  12.358
  403   1HD   LYS  36          1HD       LYS  36 -12.997 -10.755  14.480
  404   2HD   LYS  36          2HD       LYS  36 -12.702 -12.492  14.479
  405   1HE   LYS  36          1HE       LYS  36 -12.058 -11.581  16.627
  406   2HE   LYS  36          2HE       LYS  36 -10.610 -12.146  15.789
  407   1HZ   LYS  36          3HZ       LYS  36 -11.448  -9.303  15.896
  408   2HZ   LYS  36          1HZ       LYS  36 -10.334 -10.004  16.873
  409   3HZ   LYS  36          2HZ       LYS  36 -10.027  -9.891  15.293
  410    QB   LYS  36           QB       LYS  36 -10.220 -12.961  13.381
  411    QG   LYS  36           QG       LYS  36 -11.492 -10.899  12.778
  412    QD   LYS  36           QD       LYS  36 -12.849 -11.624  14.479
  413    QE   LYS  36           QE       LYS  36 -11.334 -11.863  16.208
  414    QZ   LYS  36           QZ       LYS  36 -10.603  -9.733  16.021
  415    H    GLU  37           H        GLU  37  -7.529 -11.701  10.300
  416    HA   GLU  37           HA       GLU  37  -6.584 -14.320   9.789
  417   1HB   GLU  37          1HB       GLU  37  -6.412 -12.404   8.266
  418   2HB   GLU  37          2HB       GLU  37  -5.514 -11.509   9.432
  419   1HG   GLU  37          1HG       GLU  37  -3.993 -12.314   7.799
  420   2HG   GLU  37          2HG       GLU  37  -3.661 -13.203   9.286
  421    QB   GLU  37           QB       GLU  37  -5.963 -11.956   8.849
  422    QG   GLU  37           QG       GLU  37  -3.827 -12.758   8.543
  423    HA   PRO  38           HA       PRO  38  -4.486 -14.540  13.784
  424   1HB   PRO  38          1HB       PRO  38  -2.406 -16.336  13.202
  425   2HB   PRO  38          2HB       PRO  38  -4.081 -16.745  13.674
  426   1HG   PRO  38          1HG       PRO  38  -2.909 -16.586  10.894
  427   2HG   PRO  38          2HG       PRO  38  -4.029 -17.808  11.576
  428   1HD   PRO  38          1HD       PRO  38  -4.945 -15.818  10.010
  429   2HD   PRO  38          2HD       PRO  38  -5.856 -16.317  11.465
  430    QB   PRO  38           QB       PRO  38  -3.243 -16.540  13.438
  431    QG   PRO  38           QG       PRO  38  -3.469 -17.197  11.235
  432    QD   PRO  38           QD       PRO  38  -5.401 -16.068  10.737
  433    H    GLY  39           H        GLY  39  -3.345 -12.909  14.582
  434   1HA   GLY  39          1HA       GLY  39  -1.609 -11.537  15.115
  435   2HA   GLY  39          2HA       GLY  39  -0.568 -12.516  14.088
  436    QA   GLY  39           QA       GLY  39  -1.088 -12.026  14.602
  437    H    ALA  40           H        ALA  40  -2.496 -11.807  11.781
  438    HA   ALA  40           HA       ALA  40  -1.028  -9.581  10.691
  439   1HB   ALA  40          3HB       ALA  40  -2.003 -11.591   9.488
  440   2HB   ALA  40          1HB       ALA  40  -3.579 -10.785   9.694
  441   3HB   ALA  40          2HB       ALA  40  -2.308 -10.017   8.742
  442    QB   ALA  40           QB       ALA  40  -2.630 -10.798   9.308
  443    H    GLU  41           H        GLU  41  -3.122  -9.237  13.134
  444    HA   GLU  41           HA       GLU  41  -4.843  -7.111  12.198
  445   1HB   GLU  41          1HB       GLU  41  -5.130  -8.520  14.264
  446   2HB   GLU  41          2HB       GLU  41  -3.755  -7.687  14.978
  447   1HG   GLU  41          1HG       GLU  41  -4.982  -5.533  14.818
  448   2HG   GLU  41          2HG       GLU  41  -6.355  -6.373  14.061
  449    QB   GLU  41           QB       GLU  41  -4.442  -8.104  14.621
  450    QG   GLU  41           QG       GLU  41  -5.669  -5.953  14.439
  451    H    GLU  42           H        GLU  42  -1.490  -7.379  13.354
  452    HA   GLU  42           HA       GLU  42  -0.700  -4.615  13.189
  453   1HB   GLU  42          1HB       GLU  42   0.734  -6.130  14.238
  454   2HB   GLU  42          2HB       GLU  42   0.667  -7.267  12.891
  455   1HG   GLU  42          1HG       GLU  42   2.785  -6.087  13.137
  456   2HG   GLU  42          2HG       GLU  42   2.086  -5.968  11.530
  457    QB   GLU  42           QB       GLU  42   0.700  -6.698  13.565
  458    QG   GLU  42           QG       GLU  42   2.436  -6.027  12.334
  459    H    LYS  43           H        LYS  43  -0.769  -7.265  10.811
  460    HA   LYS  43           HA       LYS  43   0.330  -5.876   8.674
  461   1HB   LYS  43          1HB       LYS  43  -0.542  -8.431   9.036
  462   2HB   LYS  43          2HB       LYS  43  -1.853  -7.853   8.043
  463   1HG   LYS  43          1HG       LYS  43  -0.321  -8.719   6.473
  464   2HG   LYS  43          2HG       LYS  43  -0.041  -6.977   6.446
  465   1HD   LYS  43          1HD       LYS  43   1.782  -7.622   8.330
  466   2HD   LYS  43          2HD       LYS  43   1.690  -9.195   7.557
  467   1HE   LYS  43          1HE       LYS  43   2.333  -6.539   6.184
  468   2HE   LYS  43          2HE       LYS  43   3.519  -7.754   6.673
  469   1HZ   LYS  43          3HZ       LYS  43   2.505  -9.306   5.133
  470   2HZ   LYS  43          1HZ       LYS  43   1.415  -8.163   4.623
  471   3HZ   LYS  43          2HZ       LYS  43   3.020  -7.992   4.347
  472    QB   LYS  43           QB       LYS  43  -1.197  -8.142   8.539
  473    QG   LYS  43           QG       LYS  43  -0.181  -7.848   6.460
  474    QD   LYS  43           QD       LYS  43   1.736  -8.408   7.944
  475    QE   LYS  43           QE       LYS  43   2.926  -7.146   6.429
  476    QZ   LYS  43           QZ       LYS  43   2.313  -8.487   4.701
  477    H    PHE  44           H        PHE  44  -3.027  -6.213   9.631
  478    HA   PHE  44           HA       PHE  44  -4.309  -4.703   7.649
  479   1HB   PHE  44          1HB       PHE  44  -5.500  -5.909   9.451
  480   2HB   PHE  44          2HB       PHE  44  -5.005  -4.688  10.610
  481    HD1  PHE  44          1HD       PHE  44  -7.076  -5.296   7.589
  482    HD2  PHE  44          2HD       PHE  44  -6.043  -2.464  10.671
  483    HE1  PHE  44          1HE       PHE  44  -8.858  -3.781   6.795
  484    HE2  PHE  44          2HE       PHE  44  -7.888  -0.987   9.920
  485   1HZ   PHE  44           HZ       PHE  44  -9.275  -1.623   7.961
  486    QB   PHE  44           QB       PHE  44  -5.252  -5.299  10.030
  487    QG   PHE  44           QD       PHE  44  -6.559  -3.880   9.130
  488    QZ   PHE  44           QE       PHE  44  -8.373  -2.384   8.358
  489    QZ   PHE  44           QR       PHE  44  -7.828  -2.830   8.587
  490    H    LYS  45           H        LYS  45  -2.891  -3.341  10.704
  491    HA   LYS  45           HA       LYS  45  -3.490  -0.687   9.758
  492   1HB   LYS  45          1HB       LYS  45  -2.294   0.153  11.750
  493   2HB   LYS  45          2HB       LYS  45  -3.699  -0.872  12.010
  494   1HG   LYS  45          1HG       LYS  45  -2.155  -2.801  12.491
  495   2HG   LYS  45          2HG       LYS  45  -0.786  -1.675  12.400
  496   1HD   LYS  45          1HD       LYS  45  -1.682  -0.374  14.271
  497   2HD   LYS  45          2HD       LYS  45  -3.215  -1.256  14.207
  498   1HE   LYS  45          1HE       LYS  45  -2.014  -2.094  16.082
  499   2HE   LYS  45          2HE       LYS  45  -2.049  -3.360  14.848
  500   1HZ   LYS  45          1HZ       LYS  45   0.241  -1.550  15.334
  501   2HZ   LYS  45          2HZ       LYS  45   0.107  -3.121  15.873
  502   3HZ   LYS  45          3HZ       LYS  45   0.228  -2.783  14.284
  503    QB   LYS  45           QB       LYS  45  -2.997  -0.360  11.880
  504    QG   LYS  45           QG       LYS  45  -1.470  -2.238  12.445
  505    QD   LYS  45           QD       LYS  45  -2.449  -0.815  14.239
  506    QE   LYS  45           QE       LYS  45  -2.032  -2.727  15.465
  507    QZ   LYS  45           QZ       LYS  45   0.192  -2.485  15.164
  508    H    GLU  46           H        GLU  46  -0.472  -2.690   9.567
  509    HA   GLU  46           HA       GLU  46   0.996  -0.523   8.596
  510   1HB   GLU  46          1HB       GLU  46   1.410  -3.219   9.170
  511   2HB   GLU  46          2HB       GLU  46   1.814  -3.109   7.458
  512   1HG   GLU  46          1HG       GLU  46   2.950  -0.826   8.721
  513   2HG   GLU  46          2HG       GLU  46   3.222  -2.135   9.836
  514    QB   GLU  46           QB       GLU  46   1.612  -3.164   8.314
  515    QG   GLU  46           QG       GLU  46   3.086  -1.481   9.278
  516    H    ILE  47           H        ILE  47  -1.105  -2.883   6.963
  517    HA   ILE  47           HA       ILE  47  -0.819  -1.978   4.306
  518    HB   ILE  47           HB       ILE  47  -3.119  -3.243   5.845
  519   1HG1  ILE  47          1HG1      ILE  47  -1.532  -4.137   3.428
  520   2HG1  ILE  47          2HG1      ILE  47  -1.010  -4.486   5.061
  521   1HG2  ILE  47          3HG2      ILE  47  -3.187  -2.112   3.057
  522   2HG2  ILE  47          1HG2      ILE  47  -4.283  -3.412   3.545
  523   3HG2  ILE  47          2HG2      ILE  47  -4.327  -1.839   4.333
  524   1HD1  ILE  47          1HD1      ILE  47  -3.202  -5.657   5.483
  525   2HD1  ILE  47          2HD1      ILE  47  -3.559  -5.489   3.745
  526   3HD1  ILE  47          3HD1      ILE  47  -2.149  -6.419   4.280
  527    QG1  ILE  47           QG1      ILE  47  -1.271  -4.312   4.244
  528    QG2  ILE  47           QG2      ILE  47  -3.932  -2.454   3.645
  529    QD1  ILE  47           QD1      ILE  47  -2.970  -5.855   4.503
  530    H    ALA  48           H        ALA  48  -2.838  -0.651   7.022
  531    HA   ALA  48           HA       ALA  48  -4.059   1.402   5.494
  532   1HB   ALA  48          2HB       ALA  48  -4.777   0.640   7.768
  533   2HB   ALA  48          3HB       ALA  48  -3.400   1.549   8.448
  534   3HB   ALA  48          1HB       ALA  48  -4.663   2.392   7.545
  535    QB   ALA  48           QB       ALA  48  -4.280   1.527   7.920
  536    H    GLU  49           H        GLU  49  -0.966   1.378   7.237
  537    HA   GLU  49           HA       GLU  49  -0.384   4.144   6.788
  538   1HB   GLU  49          1HB       GLU  49   0.817   2.431   8.392
  539   2HB   GLU  49          2HB       GLU  49   1.764   1.983   6.988
  540   1HG   GLU  49          1HG       GLU  49   2.927   3.644   8.376
  541   2HG   GLU  49          2HG       GLU  49   2.575   4.304   6.779
  542    QB   GLU  49           QB       GLU  49   1.290   2.207   7.690
  543    QG   GLU  49           QG       GLU  49   2.751   3.974   7.577
  544    H    ALA  50           H        ALA  50   0.289   1.197   4.915
  545    HA   ALA  50           HA       ALA  50   1.709   2.629   2.826
  546   1HB   ALA  50          2HB       ALA  50   2.134   0.227   3.259
  547   2HB   ALA  50          3HB       ALA  50   0.454  -0.151   2.813
  548   3HB   ALA  50          1HB       ALA  50   1.570   0.490   1.593
  549    QB   ALA  50           QB       ALA  50   1.386   0.189   2.555
  550    H    TYR  51           H        TYR  51  -1.627   2.000   3.574
  551    HA   TYR  51           HA       TYR  51  -2.768   2.007   0.987
  552   1HB   TYR  51          1HB       TYR  51  -3.619   1.514   3.532
  553   2HB   TYR  51          2HB       TYR  51  -4.269   3.104   3.376
  554    HD1  TYR  51          1HD       TYR  51  -3.997  -0.214   1.834
  555    HD2  TYR  51          2HD       TYR  51  -6.550   3.191   2.476
  556    HE1  TYR  51          1HE       TYR  51  -5.909  -1.532   1.017
  557    HE2  TYR  51          2HE       TYR  51  -8.486   1.893   1.627
  558    HH   TYR  51           HH       TYR  51  -8.049  -1.387   0.262
  559    QB   TYR  51           QB       TYR  51  -3.944   2.309   3.454
  560    QG   TYR  51           QD       TYR  51  -5.273   1.488   2.155
  561    QZ   TYR  51           QE       TYR  51  -7.198   0.181   1.322
  562    QR   TYR  51           QR       TYR  51  -6.236   0.834   1.738
  563    H    ASP  52           H        ASP  52  -2.299   4.481   3.480
  564    HA   ASP  52           HA       ASP  52  -3.421   6.715   2.230
  565   1HB   ASP  52          1HB       ASP  52  -2.429   6.453   4.610
  566   2HB   ASP  52          2HB       ASP  52  -0.887   6.933   3.898
  567    QB   ASP  52           QB       ASP  52  -1.658   6.693   4.254
  568    H    VAL  53           H        VAL  53  -0.012   5.603   2.002
  569    HA   VAL  53           HA       VAL  53   0.809   7.591   0.086
  570    HB   VAL  53           HB       VAL  53   1.893   4.844   0.855
  571   1HG1  VAL  53          2HG1      VAL  53   2.564   5.279  -1.510
  572   2HG1  VAL  53          3HG1      VAL  53   3.223   6.836  -1.032
  573   3HG1  VAL  53          1HG1      VAL  53   3.935   5.311  -0.414
  574   1HG2  VAL  53          2HG2      VAL  53   2.141   6.697   2.497
  575   2HG2  VAL  53          3HG2      VAL  53   3.711   6.158   1.846
  576   3HG2  VAL  53          1HG2      VAL  53   2.979   7.650   1.245
  577    QG1  VAL  53           QG1      VAL  53   3.241   5.809  -0.985
  578    QG2  VAL  53           QG2      VAL  53   2.944   6.835   1.863
  579    QQG  VAL  53           QQG      VAL  53   3.092   6.322   0.439
  580    H    LEU  54           H        LEU  54  -0.179   4.120  -0.355
  581    HA   LEU  54           HA       LEU  54   0.386   4.228  -3.149
  582   1HB   LEU  54          1HB       LEU  54  -0.824   2.241  -1.303
  583   2HB   LEU  54          2HB       LEU  54  -1.160   2.129  -3.013
  584    HG   LEU  54           HG       LEU  54   1.076   1.847  -3.660
  585   1HD1  LEU  54          2HD1      LEU  54   1.935   2.630  -0.874
  586   2HD1  LEU  54          3HD1      LEU  54   2.998   1.833  -2.073
  587   3HD1  LEU  54          1HD1      LEU  54   2.324   3.410  -2.428
  588   1HD2  LEU  54          1HD2      LEU  54   0.045  -0.143  -2.643
  589   2HD2  LEU  54          2HD2      LEU  54   1.801  -0.142  -2.468
  590   3HD2  LEU  54          3HD2      LEU  54   0.783   0.282  -1.077
  591    QB   LEU  54           QB       LEU  54  -0.992   2.185  -2.158
  592    QD1  LEU  54           QD1      LEU  54   2.419   2.624  -1.792
  593    QD2  LEU  54           QD2      LEU  54   0.876  -0.001  -2.063
  594    QQD  LEU  54           QQD      LEU  54   1.648   1.312  -1.927
  595    H    SER  55           H        SER  55  -2.607   4.929  -1.347
  596    HA   SER  55           HA       SER  55  -4.151   5.165  -3.788
  597   1HB   SER  55          1HB       SER  55  -5.861   6.168  -2.356
  598   2HB   SER  55          2HB       SER  55  -5.274   4.620  -1.745
  599    HG   SER  55           HG       SER  55  -4.104   5.677  -0.182
  600    QB   SER  55           QB       SER  55  -5.568   5.394  -2.051
  601    H    ASP  56           H        ASP  56  -2.307   7.538  -1.741
  602    HA   ASP  56           HA       ASP  56  -3.354   9.749  -3.345
  603   1HB   ASP  56          1HB       ASP  56  -3.263  10.192  -1.012
  604   2HB   ASP  56          2HB       ASP  56  -1.564   9.683  -0.909
  605    QB   ASP  56           QB       ASP  56  -2.413   9.938  -0.961
  606    HA   PRO  57           HA       PRO  57   0.371   9.213  -5.849
  607   1HB   PRO  57          1HB       PRO  57  -0.249  10.852  -7.949
  608   2HB   PRO  57          2HB       PRO  57  -0.931   9.211  -7.723
  609   1HG   PRO  57          1HG       PRO  57  -2.183  11.864  -6.954
  610   2HG   PRO  57          2HG       PRO  57  -2.930  10.515  -7.866
  611   1HD   PRO  57          1HD       PRO  57  -3.316  10.804  -5.198
  612   2HD   PRO  57          2HD       PRO  57  -3.119   9.188  -5.943
  613    QB   PRO  57           QB       PRO  57  -0.590  10.031  -7.836
  614    QG   PRO  57           QG       PRO  57  -2.557  11.190  -7.410
  615    QD   PRO  57           QD       PRO  57  -3.217   9.996  -5.571
  616    H    ARG  58           H        ARG  58  -0.662  12.093  -4.151
  617    HA   ARG  58           HA       ARG  58   1.575  13.744  -5.246
  618   1HB   ARG  58          1HB       ARG  58  -0.677  14.243  -3.233
  619   2HB   ARG  58          2HB       ARG  58   0.693  15.336  -3.370
  620   1HG   ARG  58          1HG       ARG  58  -1.236  16.123  -4.672
  621   2HG   ARG  58          2HG       ARG  58   0.206  15.863  -5.656
  622   1HD   ARG  58          1HD       ARG  58  -0.694  13.803  -6.571
  623   2HD   ARG  58          2HD       ARG  58  -2.048  13.835  -5.444
  624    HE   ARG  58           HE       ARG  58  -3.156  15.292  -6.792
  625   1HH1  ARG  58          2HH2      ARG  58   0.251  15.410  -7.819
  626   2HH1  ARG  58          1HH2      ARG  58  -0.095  16.014  -9.391
  627   1HH2  ARG  58          2HH1      ARG  58  -3.626  16.162  -8.784
  628   2HH2  ARG  58          1HH1      ARG  58  -2.430  16.415 -10.009
  629    QB   ARG  58           QB       ARG  58   0.008  14.789  -3.301
  630    QG   ARG  58           QG       ARG  58  -0.515  15.993  -5.164
  631    QD   ARG  58           QD       ARG  58  -1.371  13.819  -6.008
  632    QH1  ARG  58           QH2      ARG  58   0.078  15.712  -8.605
  633    QH2  ARG  58           QH1      ARG  58  -3.028  16.288  -9.396
  634    H    LYS  59           H        LYS  59   0.692  12.085  -2.138
  635    HA   LYS  59           HA       LYS  59   3.298  12.638  -0.994
  636   1HB   LYS  59          1HB       LYS  59   1.314  12.043   0.322
  637   2HB   LYS  59          2HB       LYS  59   1.215  10.457  -0.461
  638   1HG   LYS  59          1HG       LYS  59   3.408   9.827   0.501
  639   2HG   LYS  59          2HG       LYS  59   3.549  11.415   1.264
  640   1HD   LYS  59          1HD       LYS  59   1.308   9.411   1.819
  641   2HD   LYS  59          2HD       LYS  59   2.769   9.611   2.812
  642   1HE   LYS  59          1HE       LYS  59   2.167  12.002   3.179
  643   2HE   LYS  59          2HE       LYS  59   0.661  11.759   2.279
  644   1HZ   LYS  59          2HZ       LYS  59   1.390  10.224   4.692
  645   2HZ   LYS  59          3HZ       LYS  59   0.529  11.600   4.720
  646   3HZ   LYS  59          1HZ       LYS  59  -0.093  10.264   3.951
  647    QB   LYS  59           QB       LYS  59   1.264  11.250  -0.069
  648    QG   LYS  59           QG       LYS  59   3.479  10.621   0.883
  649    QD   LYS  59           QD       LYS  59   2.038   9.511   2.315
  650    QE   LYS  59           QE       LYS  59   1.414  11.880   2.729
  651    QZ   LYS  59           QZ       LYS  59   0.609  10.696   4.455
  652    H    ARG  60           H        ARG  60   1.850   9.725  -2.783
  653    HA   ARG  60           HA       ARG  60   4.193   8.345  -2.913
  654   1HB   ARG  60          1HB       ARG  60   1.672   7.914  -3.754
  655   2HB   ARG  60          2HB       ARG  60   2.369   8.370  -5.325
  656   1HG   ARG  60          1HG       ARG  60   4.081   6.634  -5.076
  657   2HG   ARG  60          2HG       ARG  60   3.545   6.388  -3.388
  658   1HD   ARG  60          1HD       ARG  60   1.470   5.529  -4.037
  659   2HD   ARG  60          2HD       ARG  60   1.694   5.971  -5.728
  660    HE   ARG  60           HE       ARG  60   3.512   4.025  -4.394
  661   1HH1  ARG  60          2HH2      ARG  60   1.335   4.709  -7.184
  662   2HH1  ARG  60          1HH2      ARG  60   1.960   3.361  -8.072
  663   1HH2  ARG  60          2HH1      ARG  60   4.348   2.337  -5.771
  664   2HH2  ARG  60          1HH1      ARG  60   3.601   2.108  -7.316
  665    QB   ARG  60           QB       ARG  60   2.020   8.142  -4.539
  666    QG   ARG  60           QG       ARG  60   3.813   6.511  -4.232
  667    QD   ARG  60           QD       ARG  60   1.582   5.750  -4.882
  668    QH1  ARG  60           QH2      ARG  60   1.647   4.035  -7.628
  669    QH2  ARG  60           QH1      ARG  60   3.974   2.223  -6.543
  670    H    GLU  61           H        GLU  61   3.459  11.295  -4.754
  671    HA   GLU  61           HA       GLU  61   5.194  10.996  -6.873
  672   1HB   GLU  61          1HB       GLU  61   3.631  12.979  -6.117
  673   2HB   GLU  61          2HB       GLU  61   5.027  13.562  -5.224
  674   1HG   GLU  61          1HG       GLU  61   5.887  14.466  -7.085
  675   2HG   GLU  61          2HG       GLU  61   5.822  12.905  -7.906
  676    QB   GLU  61           QB       GLU  61   4.329  13.271  -5.671
  677    QG   GLU  61           QG       GLU  61   5.854  13.685  -7.496
  678    H    ILE  62           H        ILE  62   5.967  11.767  -3.504
  679    HA   ILE  62           HA       ILE  62   8.773  12.287  -3.916
  680    HB   ILE  62           HB       ILE  62   7.272  11.507  -1.374
  681   1HG1  ILE  62          1HG1      ILE  62   7.711  14.314  -2.488
  682   2HG1  ILE  62          2HG1      ILE  62   6.167  13.459  -2.514
  683   1HG2  ILE  62          2HG2      ILE  62   9.774  11.479  -1.208
  684   2HG2  ILE  62          3HG2      ILE  62   9.800  13.186  -1.699
  685   3HG2  ILE  62          1HG2      ILE  62   9.041  12.689  -0.175
  686   1HD1  ILE  62          1HD1      ILE  62   6.213  13.307  -0.035
  687   2HD1  ILE  62          2HD1      ILE  62   7.621  14.407  -0.045
  688   3HD1  ILE  62          3HD1      ILE  62   6.069  14.949  -0.697
  689    QG1  ILE  62           QG1      ILE  62   6.939  13.887  -2.501
  690    QG2  ILE  62           QG2      ILE  62   9.538  12.451  -1.027
  691    QD1  ILE  62           QD1      ILE  62   6.634  14.221  -0.259
  692    H    PHE  63           H        PHE  63   6.783   9.420  -3.256
  693    HA   PHE  63           HA       PHE  63   9.048   7.733  -2.472
  694   1HB   PHE  63          1HB       PHE  63   6.593   7.523  -1.689
  695   2HB   PHE  63          2HB       PHE  63   6.234   6.883  -3.288
  696    HD1  PHE  63          2HD       PHE  63   7.311   4.695  -4.031
  697    HD2  PHE  63          1HD       PHE  63   7.704   6.214   0.004
  698    HE1  PHE  63          2HE       PHE  63   8.057   2.470  -3.250
  699    HE2  PHE  63          1HE       PHE  63   8.451   4.016   0.762
  700   1HZ   PHE  63           HZ       PHE  63   8.622   2.109  -0.850
  701    QB   PHE  63           QB       PHE  63   6.413   7.203  -2.489
  702    QG   PHE  63           QD       PHE  63   7.508   5.454  -2.013
  703    QZ   PHE  63           QE       PHE  63   8.254   3.243  -1.244
  704    QZ   PHE  63           QR       PHE  63   8.029   3.901  -1.473
  705    H    ASP  64           H        ASP  64   7.096   8.330  -5.378
  706    HA   ASP  64           HA       ASP  64   8.149   6.182  -6.925
  707   1HB   ASP  64          1HB       ASP  64   5.988   7.637  -7.169
  708   2HB   ASP  64          2HB       ASP  64   7.003   8.770  -8.028
  709    QB   ASP  64           QB       ASP  64   6.495   8.203  -7.599
  710    H    ARG  65           H        ARG  65   9.023   9.610  -6.535
  711    HA   ARG  65           HA       ARG  65  11.123   9.545  -8.525
  712   1HB   ARG  65          1HB       ARG  65  10.145  11.587  -8.203
  713   2HB   ARG  65          2HB       ARG  65  10.113  11.443  -6.466
  714   1HG   ARG  65          1HG       ARG  65  12.370  12.090  -6.190
  715   2HG   ARG  65          2HG       ARG  65  12.702  11.934  -7.929
  716   1HD   ARG  65          1HD       ARG  65  11.066  13.695  -8.442
  717   2HD   ARG  65          2HD       ARG  65  10.651  13.856  -6.731
  718    HE   ARG  65           HE       ARG  65  13.312  14.379  -6.700
  719   1HH1  ARG  65          2HH2      ARG  65  10.716  15.701  -8.748
  720   2HH1  ARG  65          1HH2      ARG  65  11.195  17.347  -8.533
  721   1HH2  ARG  65          2HH1      ARG  65  14.144  16.519  -6.729
  722   2HH2  ARG  65          1HH1      ARG  65  13.110  17.822  -7.209
  723    QB   ARG  65           QB       ARG  65  10.129  11.515  -7.335
  724    QG   ARG  65           QG       ARG  65  12.536  12.012  -7.059
  725    QD   ARG  65           QD       ARG  65  10.859  13.775  -7.587
  726    QH1  ARG  65           QH2      ARG  65  10.955  16.524  -8.640
  727    QH2  ARG  65           QH1      ARG  65  13.627  17.170  -6.969
  728    H    TYR  66           H        TYR  66  11.240   9.793  -4.945
  729    HA   TYR  66           HA       TYR  66  14.093   9.106  -5.017
  730   1HB   TYR  66          1HB       TYR  66  12.364   9.744  -2.609
  731   2HB   TYR  66          2HB       TYR  66  14.114   9.587  -2.640
  732    HD1  TYR  66          1HD       TYR  66  15.481  11.225  -4.115
  733    HD2  TYR  66          2HD       TYR  66  11.340  11.859  -3.077
  734    HE1  TYR  66          1HE       TYR  66  15.686  13.624  -4.704
  735    HE2  TYR  66          2HE       TYR  66  11.541  14.230  -3.617
  736    HH   TYR  66           HH       TYR  66  12.878  15.873  -4.460
  737    QB   TYR  66           QB       TYR  66  13.239   9.666  -2.625
  738    QG   TYR  66           QD       TYR  66  13.411  11.542  -3.596
  739    QZ   TYR  66           QE       TYR  66  13.614  13.927  -4.160
  740    QR   TYR  66           QR       TYR  66  13.512  12.734  -3.878
  741    H    GLY  67           H        GLY  67  11.631   7.776  -2.715
  742   1HA   GLY  67          1HA       GLY  67  11.008   5.378  -2.981
  743   2HA   GLY  67          2HA       GLY  67  12.706   5.038  -3.286
  744    QA   GLY  67           QA       GLY  67  11.857   5.208  -3.134
  745    H    GLU  68           H        GLU  68  10.395   6.082  -0.927
  746    HA   GLU  68           HA       GLU  68  10.204   6.361   1.219
  747   1HB   GLU  68          1HB       GLU  68  10.694   3.933   1.390
  748   2HB   GLU  68          2HB       GLU  68  12.401   4.302   1.559
  749   1HG   GLU  68          1HG       GLU  68  11.516   3.811   3.727
  750   2HG   GLU  68          2HG       GLU  68  11.942   5.508   3.698
  751    QB   GLU  68           QB       GLU  68  11.547   4.118   1.475
  752    QG   GLU  68           QG       GLU  68  11.729   4.660   3.712
  753    H    GLU  69           H        GLU  69  13.690   6.422   0.352
  754    HA   GLU  69           HA       GLU  69  14.560   7.913   2.506
  755   1HB   GLU  69          1HB       GLU  69  15.717   6.508   0.604
  756   2HB   GLU  69          2HB       GLU  69  15.770   8.047  -0.273
  757   1HG   GLU  69          1HG       GLU  69  16.912   9.036   1.738
  758   2HG   GLU  69          2HG       GLU  69  16.937   7.430   2.482
  759    QB   GLU  69           QB       GLU  69  15.744   7.278   0.166
  760    QG   GLU  69           QG       GLU  69  16.924   8.233   2.110
  761    H    GLY  70           H        GLY  70  12.755   9.014  -0.258
  762   1HA   GLY  70          1HA       GLY  70  13.527  11.837  -0.081
  763   2HA   GLY  70          2HA       GLY  70  12.237  11.151  -1.028
  764    QA   GLY  70           QA       GLY  70  12.882  11.494  -0.555
  765    H    LEU  71           H        LEU  71  11.222   9.625   1.365
  766    HA   LEU  71           HA       LEU  71   9.340  11.695   2.306
  767   1HB   LEU  71          1HB       LEU  71   8.439   9.476   1.618
  768   2HB   LEU  71          2HB       LEU  71   9.451   8.688   2.824
  769    HG   LEU  71           HG       LEU  71   8.256   9.970   4.631
  770   1HD1  LEU  71          2HD1      LEU  71   6.378  10.745   2.343
  771   2HD1  LEU  71          3HD1      LEU  71   6.064  10.982   4.076
  772   3HD1  LEU  71          1HD1      LEU  71   7.377  11.862   3.299
  773   1HD2  LEU  71          3HD2      LEU  71   7.660   7.653   4.066
  774   2HD2  LEU  71          1HD2      LEU  71   6.230   8.572   4.545
  775   3HD2  LEU  71          2HD2      LEU  71   6.529   8.219   2.824
  776    QB   LEU  71           QB       LEU  71   8.945   9.082   2.221
  777    QD1  LEU  71           QD1      LEU  71   6.606  11.197   3.239
  778    QD2  LEU  71           QD2      LEU  71   6.807   8.148   3.812
  779    QQD  LEU  71           QQD      LEU  71   6.706   9.672   3.526
  780    H    LYS  72           H        LYS  72  11.629   9.216   3.621
  781    HA   LYS  72           HA       LYS  72  12.566  11.168   5.558
  782   1HB   LYS  72          1HB       LYS  72  10.671   9.964   6.659
  783   2HB   LYS  72          2HB       LYS  72  11.475   8.435   6.362
  784   1HG   LYS  72          1HG       LYS  72  11.779   9.263   8.696
  785   2HG   LYS  72          2HG       LYS  72  13.293   8.978   7.847
  786   1HD   LYS  72          1HD       LYS  72  13.406  11.002   9.185
  787   2HD   LYS  72          2HD       LYS  72  13.608  11.382   7.486
  788   1HE   LYS  72          1HE       LYS  72  11.216  12.100   7.360
  789   2HE   LYS  72          2HE       LYS  72  11.006  11.662   9.067
  790   1HZ   LYS  72          2HZ       LYS  72  12.850  13.295   9.501
  791   2HZ   LYS  72          3HZ       LYS  72  12.682  13.789   7.944
  792   3HZ   LYS  72          1HZ       LYS  72  11.425  13.967   8.992
  793    QB   LYS  72           QB       LYS  72  11.073   9.199   6.511
  794    QG   LYS  72           QG       LYS  72  12.536   9.121   8.272
  795    QD   LYS  72           QD       LYS  72  13.507  11.192   8.336
  796    QE   LYS  72           QE       LYS  72  11.111  11.881   8.213
  797    QZ   LYS  72           QZ       LYS  72  12.319  13.684   8.812
  798    H    GLY  73           H        GLY  73  14.710  11.170   4.876
  799   1HA   GLY  73          1HA       GLY  73  16.051   8.795   3.947
  800   2HA   GLY  73          2HA       GLY  73  16.791  10.326   4.436
  801    QA   GLY  73           QA       GLY  73  16.421   9.561   4.191
  802    H    SER  74           H        SER  74  18.071   7.989   5.148
  803    HA   SER  74           HA       SER  74  18.400   8.473   7.912
  804   1HB   SER  74          1HB       SER  74  17.502   5.683   7.050
  805   2HB   SER  74          2HB       SER  74  18.307   6.035   8.586
  806    HG   SER  74           HG       SER  74  15.963   7.388   7.760
  807    QB   SER  74           QB       SER  74  17.904   5.859   7.818
  808    H    GLY  75           H        GLY  75  20.568   7.774   8.490
  809   1HA   GLY  75          1HA       GLY  75  22.788   7.495   8.013
  810   2HA   GLY  75          2HA       GLY  75  22.266   6.222   6.898
  811    QA   GLY  75           QA       GLY  75  22.527   6.859   7.456
  812    H    CYS  76           H        CYS  76  21.477   9.741   6.579
  813    HA   CYS  76           HA       CYS  76  23.054   9.904   4.104
  814   1HB   CYS  76          1HB       CYS  76  21.024  10.835   2.991
  815   2HB   CYS  76          2HB       CYS  76  20.826   9.119   3.406
  816    HG   CYS  76           HG       CYS  76  20.007  11.616   5.388
  817    QB   CYS  76           QB       CYS  76  20.925   9.977   3.198
   
  No H/Q in entry =         817
  Start of MODEL    8
    1    H    MET   0           H        MET   0  10.051   2.891   8.623
    2    HA   MET   0           HA       MET   0   9.632   2.780   6.279
    3   1HB   MET   0          1HB       MET   0  11.199   3.553   4.613
    4   2HB   MET   0          2HB       MET   0  10.535   4.857   5.573
    5   1HG   MET   0          1HG       MET   0  13.276   3.696   6.169
    6   2HG   MET   0          2HG       MET   0  13.027   4.962   4.972
    7   1HE   MET   0          3HE       MET   0  14.598   4.519   7.954
    8   2HE   MET   0          1HE       MET   0  15.096   5.879   6.919
    9   3HE   MET   0          2HE       MET   0  14.611   6.167   8.601
   10    QB   MET   0           QB       MET   0  10.867   4.205   5.093
   11    QG   MET   0           QG       MET   0  13.152   4.329   5.570
   12    QE   MET   0           QE       MET   0  14.768   5.522   7.825
   13    H    GLY   1           H        GLY   1  12.691   1.940   5.141
   14   1HA   GLY   1          1HA       GLY   1  13.854  -0.005   5.176
   15   2HA   GLY   1          2HA       GLY   1  13.348  -0.260   6.853
   16    QA   GLY   1           QA       GLY   1  13.601  -0.132   6.014
   17    H    LYS   2           H        LYS   2  10.749   0.196   4.632
   18    HA   LYS   2           HA       LYS   2  10.122  -2.648   4.381
   19   1HB   LYS   2          1HB       LYS   2   9.162  -1.781   6.560
   20   2HB   LYS   2          2HB       LYS   2   8.369  -0.491   5.649
   21   1HG   LYS   2          1HG       LYS   2   6.743  -2.159   6.120
   22   2HG   LYS   2          2HG       LYS   2   7.069  -2.218   4.389
   23   1HD   LYS   2          1HD       LYS   2   8.604  -4.238   4.869
   24   2HD   LYS   2          2HD       LYS   2   8.042  -4.144   6.561
   25   1HE   LYS   2          1HE       LYS   2   5.654  -4.033   5.348
   26   2HE   LYS   2          2HE       LYS   2   6.522  -4.807   4.029
   27   1HZ   LYS   2          2HZ       LYS   2   7.072  -6.199   6.412
   28   2HZ   LYS   2          3HZ       LYS   2   5.449  -5.947   6.291
   29   3HZ   LYS   2          1HZ       LYS   2   6.260  -6.714   5.071
   30    QB   LYS   2           QB       LYS   2   8.765  -1.136   6.104
   31    QG   LYS   2           QG       LYS   2   6.906  -2.188   5.255
   32    QD   LYS   2           QD       LYS   2   8.323  -4.191   5.715
   33    QE   LYS   2           QE       LYS   2   6.088  -4.420   4.689
   34    QZ   LYS   2           QZ       LYS   2   6.260  -6.286   5.925
   35    H    ASP   3           H        ASP   3   8.587  -2.877   2.604
   36    HA   ASP   3           HA       ASP   3   9.416  -0.922   0.538
   37   1HB   ASP   3          1HB       ASP   3  10.262  -3.209   0.521
   38   2HB   ASP   3          2HB       ASP   3   8.645  -3.875   0.569
   39    QB   ASP   3           QB       ASP   3   9.454  -3.542   0.545
   40    H    TYR   4           H        TYR   4   7.763   0.509   0.064
   41    HA   TYR   4           HA       TYR   4   5.151  -0.096   1.222
   42   1HB   TYR   4          1HB       TYR   4   6.009   2.252  -0.487
   43   2HB   TYR   4          2HB       TYR   4   4.450   2.083   0.261
   44    HD1  TYR   4          2HD       TYR   4   8.072   1.821   1.495
   45    HD2  TYR   4          1HD       TYR   4   4.097   3.394   2.122
   46    HE1  TYR   4          2HE       TYR   4   8.781   2.754   3.623
   47    HE2  TYR   4          1HE       TYR   4   4.804   4.343   4.272
   48    HH   TYR   4           HH       TYR   4   6.666   4.863   5.614
   49    QB   TYR   4           QB       TYR   4   5.230   2.168  -0.113
   50    QG   TYR   4           QD       TYR   4   6.085   2.607   1.809
   51    QZ   TYR   4           QE       TYR   4   6.793   3.549   3.948
   52    QR   TYR   4           QR       TYR   4   6.439   3.078   2.878
   53    H    TYR   5           H        TYR   5   6.493  -0.351  -2.029
   54    HA   TYR   5           HA       TYR   5   4.003  -0.697  -3.473
   55   1HB   TYR   5          1HB       TYR   5   6.929  -1.418  -3.879
   56   2HB   TYR   5          2HB       TYR   5   5.706  -2.230  -4.832
   57    HD1  TYR   5          1HD       TYR   5   4.509   1.147  -4.376
   58    HD2  TYR   5          2HD       TYR   5   7.452  -1.199  -6.501
   59    HE1  TYR   5          1HE       TYR   5   4.484   2.770  -6.204
   60    HE2  TYR   5          2HE       TYR   5   7.440   0.451  -8.335
   61    HH   TYR   5           HH       TYR   5   6.678   2.618  -8.988
   62    QB   TYR   5           QB       TYR   5   6.317  -1.824  -4.356
   63    QG   TYR   5           QD       TYR   5   5.980  -0.026  -5.438
   64    QZ   TYR   5           QE       TYR   5   5.962   1.611  -7.270
   65    QR   TYR   5           QR       TYR   5   5.971   0.792  -6.354
   66    H    GLN   6           H        GLN   6   6.361  -3.137  -2.166
   67    HA   GLN   6           HA       GLN   6   4.425  -5.128  -2.910
   68   1HB   GLN   6          1HB       GLN   6   6.962  -5.164  -3.075
   69   2HB   GLN   6          2HB       GLN   6   7.015  -5.523  -1.356
   70   1HG   GLN   6          1HG       GLN   6   6.062  -7.655  -1.643
   71   2HG   GLN   6          2HG       GLN   6   5.234  -7.228  -3.125
   72   1HE2  GLN   6          2HE2      GLN   6   8.134  -7.691  -5.250
   73   2HE2  GLN   6          1HE2      GLN   6   6.588  -6.831  -5.061
   74    QB   GLN   6           QB       GLN   6   6.989  -5.344  -2.215
   75    QG   GLN   6           QG       GLN   6   5.648  -7.442  -2.384
   76    QE2  GLN   6           QE2      GLN   6   7.361  -7.261  -5.155
   77    H    THR   7           H        THR   7   5.198  -3.596   0.126
   78    HA   THR   7           HA       THR   7   3.830  -5.416   1.888
   79    HB   THR   7           HB       THR   7   3.868  -2.368   2.054
   80    HG1  THR   7          1HG       THR   7   5.918  -3.026   1.873
   81   1HG2  THR   7          1HG2      THR   7   3.647  -4.484   4.243
   82   2HG2  THR   7          2HG2      THR   7   3.840  -2.740   4.510
   83   3HG2  THR   7          3HG2      THR   7   2.370  -3.353   3.747
   84    QG2  THR   7           QG2      THR   7   3.286  -3.526   4.167
   85    H    LEU   8           H        LEU   8   2.722  -3.194  -0.530
   86    HA   LEU   8           HA       LEU   8  -0.125  -3.557   0.160
   87   1HB   LEU   8          1HB       LEU   8   1.139  -1.305  -0.117
   88   2HB   LEU   8          2HB       LEU   8   1.150  -1.678  -1.822
   89    HG   LEU   8           HG       LEU   8  -0.511  -0.027  -0.912
   90   1HD1  LEU   8          3HD1      LEU   8  -0.731  -1.289  -3.147
   91   2HD1  LEU   8          1HD1      LEU   8  -2.067  -2.140  -2.363
   92   3HD1  LEU   8          2HD1      LEU   8  -2.088  -0.368  -2.526
   93   1HD2  LEU   8          3HD2      LEU   8  -1.207  -1.229   1.105
   94   2HD2  LEU   8          1HD2      LEU   8  -2.579  -0.756   0.080
   95   3HD2  LEU   8          2HD2      LEU   8  -2.043  -2.442   0.096
   96    QB   LEU   8           QB       LEU   8   1.144  -1.492  -0.970
   97    QD1  LEU   8           QD1      LEU   8  -1.629  -1.266  -2.679
   98    QD2  LEU   8           QD2      LEU   8  -1.943  -1.476   0.427
   99    QQD  LEU   8           QQD      LEU   8  -1.786  -1.371  -1.126
  100    H    GLY   9           H        GLY   9   2.049  -5.349  -1.368
  101   1HA   GLY   9          1HA       GLY   9   1.497  -7.221  -2.550
  102   2HA   GLY   9          2HA       GLY   9   0.033  -6.457  -3.164
  103    QA   GLY   9           QA       GLY   9   0.765  -6.839  -2.857
  104    H    LEU  10           H        LEU  10   2.558  -4.261  -3.783
  105    HA   LEU  10           HA       LEU  10   2.548  -5.145  -6.578
  106   1HB   LEU  10          1HB       LEU  10   3.107  -2.445  -5.342
  107   2HB   LEU  10          2HB       LEU  10   3.404  -2.786  -7.019
  108    HG   LEU  10           HG       LEU  10   1.345  -1.924  -7.263
  109   1HD1  LEU  10          3HD1      LEU  10   1.182  -4.240  -8.125
  110   2HD1  LEU  10          1HD1      LEU  10   0.495  -4.761  -6.565
  111   3HD1  LEU  10          2HD1      LEU  10  -0.385  -3.611  -7.537
  112   1HD2  LEU  10          1HD2      LEU  10   1.000  -1.579  -4.879
  113   2HD2  LEU  10          2HD2      LEU  10  -0.464  -2.088  -5.757
  114   3HD2  LEU  10          3HD2      LEU  10   0.404  -3.261  -4.742
  115    QB   LEU  10           QB       LEU  10   3.256  -2.615  -6.181
  116    QD1  LEU  10           QD1      LEU  10   0.430  -4.204  -7.409
  117    QD2  LEU  10           QD2      LEU  10   0.313  -2.309  -5.126
  118    QQD  LEU  10           QQD      LEU  10   0.372  -3.257  -6.267
  119    H    ALA  11           H        ALA  11   4.632  -3.959  -7.735
  120    HA   ALA  11           HA       ALA  11   7.154  -4.435  -6.426
  121   1HB   ALA  11          3HB       ALA  11   6.638  -6.666  -7.616
  122   2HB   ALA  11          1HB       ALA  11   6.528  -5.719  -9.127
  123   3HB   ALA  11          2HB       ALA  11   8.058  -5.795  -8.257
  124    QB   ALA  11           QB       ALA  11   7.075  -6.060  -8.333
  125    H    ARG  12           H        ARG  12   8.848  -3.495  -7.910
  126    HA   ARG  12           HA       ARG  12   8.153  -1.322  -9.571
  127   1HB   ARG  12          1HB       ARG  12  10.305  -1.333 -10.387
  128   2HB   ARG  12          2HB       ARG  12  10.487  -1.976  -8.771
  129   1HG   ARG  12          1HG       ARG  12  10.632  -3.449 -11.404
  130   2HG   ARG  12          2HG       ARG  12  11.941  -3.119 -10.276
  131   1HD   ARG  12          1HD       ARG  12   9.996  -4.644  -8.828
  132   2HD   ARG  12          2HD       ARG  12  10.124  -5.394 -10.401
  133    HE   ARG  12           HE       ARG  12  12.425  -4.794  -8.596
  134   1HH1  ARG  12          2HH2      ARG  12  10.806  -7.176 -10.731
  135   2HH1  ARG  12          1HH2      ARG  12  11.571  -8.542 -10.011
  136   1HH2  ARG  12          2HH1      ARG  12  13.560  -6.652  -7.750
  137   2HH2  ARG  12          1HH1      ARG  12  13.332  -8.199  -8.488
  138    QB   ARG  12           QB       ARG  12  10.396  -1.655  -9.579
  139    QG   ARG  12           QG       ARG  12  11.286  -3.284 -10.840
  140    QD   ARG  12           QD       ARG  12  10.060  -5.019  -9.614
  141    QH1  ARG  12           QH2      ARG  12  11.188  -7.859 -10.371
  142    QH2  ARG  12           QH1      ARG  12  13.446  -7.425  -8.119
  143    H    GLY  13           H        GLY  13   7.193  -1.241 -11.363
  144   1HA   GLY  13          1HA       GLY  13   6.834  -1.849 -13.735
  145   2HA   GLY  13          2HA       GLY  13   6.897  -3.552 -13.265
  146    QA   GLY  13           QA       GLY  13   6.865  -2.700 -13.500
  147    H    ALA  14           H        ALA  14   5.266  -2.258 -10.717
  148    HA   ALA  14           HA       ALA  14   2.572  -2.707 -11.776
  149   1HB   ALA  14          1HB       ALA  14   3.629  -1.536  -9.168
  150   2HB   ALA  14          2HB       ALA  14   1.918  -1.812  -9.523
  151   3HB   ALA  14          3HB       ALA  14   3.021  -3.191  -9.409
  152    QB   ALA  14           QB       ALA  14   2.856  -2.180  -9.367
  153    H    SER  15           H        SER  15   0.980  -0.873 -11.439
  154    HA   SER  15           HA       SER  15   1.906   1.860 -11.798
  155   1HB   SER  15          1HB       SER  15   0.280   2.018 -13.805
  156   2HB   SER  15          2HB       SER  15   1.850   1.264 -14.107
  157    HG   SER  15           HG       SER  15   0.974  -0.636 -14.295
  158    QB   SER  15           QB       SER  15   1.065   1.641 -13.956
  159    H    ASP  16           H        ASP  16  -0.316   3.225 -11.923
  160    HA   ASP  16           HA       ASP  16  -1.379   2.740  -9.381
  161   1HB   ASP  16          1HB       ASP  16  -2.839   4.614  -9.713
  162   2HB   ASP  16          2HB       ASP  16  -1.257   4.969 -10.412
  163    QB   ASP  16           QB       ASP  16  -2.048   4.791 -10.063
  164    H    GLU  17           H        GLU  17  -2.439   1.391 -12.426
  165    HA   GLU  17           HA       GLU  17  -5.079   0.585 -11.343
  166   1HB   GLU  17          1HB       GLU  17  -3.992   1.125 -13.984
  167   2HB   GLU  17          2HB       GLU  17  -4.446  -0.561 -13.910
  168   1HG   GLU  17          1HG       GLU  17  -6.700   0.222 -12.930
  169   2HG   GLU  17          2HG       GLU  17  -6.188   1.870 -13.286
  170    QB   GLU  17           QB       GLU  17  -4.219   0.282 -13.947
  171    QG   GLU  17           QG       GLU  17  -6.444   1.046 -13.108
  172    H    GLU  18           H        GLU  18  -1.926  -0.508 -11.017
  173    HA   GLU  18           HA       GLU  18  -2.868  -3.273 -10.487
  174   1HB   GLU  18          1HB       GLU  18  -0.298  -2.018 -10.979
  175   2HB   GLU  18          2HB       GLU  18  -0.298  -2.520  -9.364
  176   1HG   GLU  18          1HG       GLU  18  -0.862  -4.308 -11.760
  177   2HG   GLU  18          2HG       GLU  18   0.640  -4.248 -10.850
  178    QB   GLU  18           QB       GLU  18  -0.298  -2.269 -10.171
  179    QG   GLU  18           QG       GLU  18  -0.111  -4.278 -11.305
  180    H    ILE  19           H        ILE  19  -2.016  -0.075  -9.057
  181    HA   ILE  19           HA       ILE  19  -2.075  -0.842  -6.331
  182    HB   ILE  19           HB       ILE  19  -2.389   1.883  -7.583
  183   1HG1  ILE  19          1HG1      ILE  19  -0.095   0.387  -6.224
  184   2HG1  ILE  19          2HG1      ILE  19  -0.216   0.735  -7.933
  185   1HG2  ILE  19          3HG2      ILE  19  -2.123   1.092  -4.656
  186   2HG2  ILE  19          1HG2      ILE  19  -2.021   2.753  -5.309
  187   3HG2  ILE  19          2HG2      ILE  19  -3.527   1.888  -5.403
  188   1HD1  ILE  19          3HD1      ILE  19  -0.206   3.177  -7.406
  189   2HD1  ILE  19          1HD1      ILE  19   0.161   2.752  -5.712
  190   3HD1  ILE  19          2HD1      ILE  19   1.291   2.305  -6.996
  191    QG1  ILE  19           QG1      ILE  19  -0.156   0.561  -7.079
  192    QG2  ILE  19           QG2      ILE  19  -2.557   1.911  -5.123
  193    QD1  ILE  19           QD1      ILE  19   0.416   2.745  -6.705
  194    H    LYS  20           H        LYS  20  -4.586   1.077  -8.099
  195    HA   LYS  20           HA       LYS  20  -6.582   0.901  -6.172
  196   1HB   LYS  20          1HB       LYS  20  -6.737   1.012  -9.206
  197   2HB   LYS  20          2HB       LYS  20  -8.178   1.033  -8.210
  198   1HG   LYS  20          1HG       LYS  20  -5.956   3.107  -8.035
  199   2HG   LYS  20          2HG       LYS  20  -7.472   3.263  -8.919
  200   1HD   LYS  20          1HD       LYS  20  -8.574   2.692  -6.558
  201   2HD   LYS  20          2HD       LYS  20  -7.016   3.294  -5.939
  202   1HE   LYS  20          1HE       LYS  20  -7.351   5.383  -7.304
  203   2HE   LYS  20          2HE       LYS  20  -8.906   4.734  -7.859
  204   1HZ   LYS  20          1HZ       LYS  20  -9.561   4.711  -5.440
  205   2HZ   LYS  20          2HZ       LYS  20  -8.177   5.624  -5.159
  206   3HZ   LYS  20          3HZ       LYS  20  -9.355   6.181  -6.142
  207    QB   LYS  20           QB       LYS  20  -7.458   1.023  -8.708
  208    QG   LYS  20           QG       LYS  20  -6.714   3.185  -8.477
  209    QD   LYS  20           QD       LYS  20  -7.795   2.993  -6.249
  210    QE   LYS  20           QE       LYS  20  -8.129   5.059  -7.582
  211    QZ   LYS  20           QZ       LYS  20  -9.031   5.505  -5.580
  212    H    ARG  21           H        ARG  21  -5.509  -1.684  -8.230
  213    HA   ARG  21           HA       ARG  21  -7.798  -3.427  -7.633
  214   1HB   ARG  21          1HB       ARG  21  -5.665  -3.325  -9.579
  215   2HB   ARG  21          2HB       ARG  21  -5.450  -4.780  -8.663
  216   1HG   ARG  21          1HG       ARG  21  -6.888  -5.513 -10.350
  217   2HG   ARG  21          2HG       ARG  21  -8.029  -5.188  -9.052
  218   1HD   ARG  21          1HD       ARG  21  -8.903  -4.285 -11.127
  219   2HD   ARG  21          2HD       ARG  21  -8.454  -2.910 -10.100
  220    HE   ARG  21           HE       ARG  21  -6.174  -3.308 -11.490
  221   1HH1  ARG  21          2HH2      ARG  21  -9.495  -2.545 -12.642
  222   2HH1  ARG  21          1HH2      ARG  21  -8.827  -1.832 -14.098
  223   1HH2  ARG  21          2HH1      ARG  21  -5.503  -2.523 -13.379
  224   2HH2  ARG  21          1HH1      ARG  21  -6.631  -1.849 -14.538
  225    QB   ARG  21           QB       ARG  21  -5.558  -4.053  -9.121
  226    QG   ARG  21           QG       ARG  21  -7.458  -5.350  -9.701
  227    QD   ARG  21           QD       ARG  21  -8.679  -3.598 -10.613
  228    QH1  ARG  21           QH2      ARG  21  -9.161  -2.188 -13.370
  229    QH2  ARG  21           QH1      ARG  21  -6.067  -2.186 -13.959
  230    H    ALA  22           H        ALA  22  -4.304  -3.417  -6.862
  231    HA   ALA  22           HA       ALA  22  -4.256  -5.579  -5.070
  232   1HB   ALA  22          1HB       ALA  22  -2.239  -4.558  -6.196
  233   2HB   ALA  22          2HB       ALA  22  -2.396  -3.172  -5.106
  234   3HB   ALA  22          3HB       ALA  22  -2.060  -4.789  -4.458
  235    QB   ALA  22           QB       ALA  22  -2.232  -4.173  -5.253
  236    H    TYR  23           H        TYR  23  -4.434  -2.038  -4.279
  237    HA   TYR  23           HA       TYR  23  -4.364  -2.225  -1.539
  238   1HB   TYR  23          1HB       TYR  23  -4.183  -0.129  -1.996
  239   2HB   TYR  23          2HB       TYR  23  -4.660  -0.292  -3.636
  240    HD1  TYR  23          1HD       TYR  23  -7.131  -0.289  -4.152
  241    HD2  TYR  23          2HD       TYR  23  -5.360   1.355  -0.571
  242    HE1  TYR  23          1HE       TYR  23  -9.042   1.253  -3.959
  243    HE2  TYR  23          2HE       TYR  23  -7.248   2.946  -0.393
  244    HH   TYR  23           HH       TYR  23  -9.466   3.328  -1.108
  245    QB   TYR  23           QB       TYR  23  -4.421  -0.211  -2.816
  246    QG   TYR  23           QD       TYR  23  -6.246   0.533  -2.362
  247    QZ   TYR  23           QE       TYR  23  -8.145   2.099  -2.176
  248    QR   TYR  23           QR       TYR  23  -7.195   1.316  -2.269
  249    H    ARG  24           H        ARG  24  -7.489  -2.166  -3.465
  250    HA   ARG  24           HA       ARG  24  -8.904  -2.567  -1.016
  251   1HB   ARG  24          1HB       ARG  24 -10.837  -3.173  -2.361
  252   2HB   ARG  24          2HB       ARG  24 -10.102  -1.657  -2.828
  253   1HG   ARG  24          1HG       ARG  24  -9.524  -2.352  -4.897
  254   2HG   ARG  24          2HG       ARG  24  -9.220  -4.018  -4.418
  255   1HD   ARG  24          1HD       ARG  24 -12.001  -2.800  -4.616
  256   2HD   ARG  24          2HD       ARG  24 -11.227  -3.694  -5.926
  257    HE   ARG  24           HE       ARG  24 -12.416  -4.773  -3.503
  258   1HH1  ARG  24          2HH2      ARG  24  -9.854  -5.436  -5.841
  259   2HH1  ARG  24          1HH2      ARG  24  -9.980  -7.136  -5.811
  260   1HH2  ARG  24          2HH1      ARG  24 -12.895  -6.934  -3.662
  261   2HH2  ARG  24          1HH1      ARG  24 -11.790  -8.094  -4.370
  262    QB   ARG  24           QB       ARG  24 -10.469  -2.415  -2.595
  263    QG   ARG  24           QG       ARG  24  -9.372  -3.185  -4.657
  264    QD   ARG  24           QD       ARG  24 -11.614  -3.247  -5.271
  265    QH1  ARG  24           QH2      ARG  24  -9.917  -6.286  -5.826
  266    QH2  ARG  24           QH1      ARG  24 -12.342  -7.514  -4.016
  267    H    ARG  25           H        ARG  25  -7.609  -5.018  -3.337
  268    HA   ARG  25           HA       ARG  25  -8.862  -7.127  -1.785
  269   1HB   ARG  25          1HB       ARG  25  -7.749  -8.721  -3.074
  270   2HB   ARG  25          2HB       ARG  25  -8.415  -7.517  -4.139
  271   1HG   ARG  25          1HG       ARG  25  -6.331  -6.743  -4.835
  272   2HG   ARG  25          2HG       ARG  25  -5.498  -7.280  -3.373
  273   1HD   ARG  25          1HD       ARG  25  -6.645  -9.158  -5.474
  274   2HD   ARG  25          2HD       ARG  25  -4.962  -8.657  -5.412
  275    HE   ARG  25           HE       ARG  25  -6.307 -10.609  -3.760
  276   1HH1  ARG  25          2HH2      ARG  25  -3.308  -8.651  -3.989
  277   2HH1  ARG  25          1HH2      ARG  25  -2.659  -9.283  -2.512
  278   1HH2  ARG  25          2HH1      ARG  25  -5.358 -11.488  -1.865
  279   2HH2  ARG  25          1HH1      ARG  25  -3.795 -10.960  -1.348
  280    QB   ARG  25           QB       ARG  25  -8.082  -8.119  -3.606
  281    QG   ARG  25           QG       ARG  25  -5.914  -7.011  -4.104
  282    QD   ARG  25           QD       ARG  25  -5.804  -8.908  -5.443
  283    QH1  ARG  25           QH2      ARG  25  -2.984  -8.967  -3.250
  284    QH2  ARG  25           QH1      ARG  25  -4.576 -11.224  -1.606
  285    H    GLN  26           H        GLN  26  -5.873  -5.370  -1.391
  286    HA   GLN  26           HA       GLN  26  -4.542  -7.264   0.310
  287   1HB   GLN  26          1HB       GLN  26  -4.235  -4.361  -0.456
  288   2HB   GLN  26          2HB       GLN  26  -3.488  -4.850   1.033
  289   1HG   GLN  26          1HG       GLN  26  -2.949  -5.950  -1.746
  290   2HG   GLN  26          2HG       GLN  26  -1.922  -4.933  -0.733
  291   1HE2  GLN  26          2HE2      GLN  26  -0.996  -7.742   1.456
  292   2HE2  GLN  26          1HE2      GLN  26  -1.496  -6.079   1.635
  293    QB   GLN  26           QB       GLN  26  -3.862  -4.606   0.288
  294    QG   GLN  26           QG       GLN  26  -2.436  -5.442  -1.240
  295    QE2  GLN  26           QE2      GLN  26  -1.246  -6.910   1.546
  296    H    ALA  27           H        ALA  27  -6.609  -4.346   0.978
  297    HA   ALA  27           HA       ALA  27  -6.683  -4.773   3.822
  298   1HB   ALA  27          1HB       ALA  27  -8.738  -3.535   1.928
  299   2HB   ALA  27          2HB       ALA  27  -8.964  -3.648   3.685
  300   3HB   ALA  27          3HB       ALA  27  -7.617  -2.709   3.048
  301    QB   ALA  27           QB       ALA  27  -8.440  -3.298   2.887
  302    H    LEU  28           H        LEU  28  -8.855  -5.875   1.174
  303    HA   LEU  28           HA       LEU  28 -10.574  -7.401   2.699
  304   1HB   LEU  28          1HB       LEU  28 -10.676  -6.750   0.200
  305   2HB   LEU  28          2HB       LEU  28  -9.681  -8.179  -0.080
  306    HG   LEU  28           HG       LEU  28 -11.562  -9.537   1.053
  307   1HD1  LEU  28          3HD1      LEU  28 -13.042  -6.914   0.603
  308   2HD1  LEU  28          1HD1      LEU  28 -13.809  -8.465   0.993
  309   3HD1  LEU  28          2HD1      LEU  28 -12.742  -7.695   2.185
  310   1HD2  LEU  28          2HD2      LEU  28 -12.082  -8.030  -1.525
  311   2HD2  LEU  28          3HD2      LEU  28 -11.173  -9.558  -1.320
  312   3HD2  LEU  28          1HD2      LEU  28 -12.924  -9.507  -1.017
  313    QB   LEU  28           QB       LEU  28 -10.179  -7.465   0.060
  314    QD1  LEU  28           QD1      LEU  28 -13.198  -7.691   1.260
  315    QD2  LEU  28           QD2      LEU  28 -12.059  -9.032  -1.287
  316    QQD  LEU  28           QQD      LEU  28 -12.629  -8.362  -0.013
  317    H    ARG  29           H        ARG  29  -7.213  -8.281   1.940
  318    HA   ARG  29           HA       ARG  29  -7.579 -11.115   2.166
  319   1HB   ARG  29          1HB       ARG  29  -5.734 -10.116   0.924
  320   2HB   ARG  29          2HB       ARG  29  -5.169  -9.269   2.354
  321   1HG   ARG  29          1HG       ARG  29  -3.747 -11.163   1.947
  322   2HG   ARG  29          2HG       ARG  29  -4.625 -11.335   3.459
  323   1HD   ARG  29          1HD       ARG  29  -6.253 -12.872   2.262
  324   2HD   ARG  29          2HD       ARG  29  -5.179 -12.762   0.859
  325    HE   ARG  29           HE       ARG  29  -3.582 -14.039   1.915
  326   1HH1  ARG  29          2HH2      ARG  29  -6.069 -13.244   4.399
  327   2HH1  ARG  29          1HH2      ARG  29  -5.790 -14.702   5.294
  328   1HH2  ARG  29          2HH1      ARG  29  -3.001 -15.703   3.336
  329   2HH2  ARG  29          1HH1      ARG  29  -3.922 -16.078   4.746
  330    QB   ARG  29           QB       ARG  29  -5.452  -9.692   1.639
  331    QG   ARG  29           QG       ARG  29  -4.186 -11.249   2.703
  332    QD   ARG  29           QD       ARG  29  -5.716 -12.817   1.561
  333    QH1  ARG  29           QH2      ARG  29  -5.930 -13.973   4.847
  334    QH2  ARG  29           QH1      ARG  29  -3.462 -15.891   4.041
  335    H    TYR  30           H        TYR  30  -7.160  -8.520   4.508
  336    HA   TYR  30           HA       TYR  30  -6.915 -10.571   6.702
  337   1HB   TYR  30          1HB       TYR  30  -5.381  -7.956   6.503
  338   2HB   TYR  30          2HB       TYR  30  -5.211  -9.163   7.749
  339    HD1  TYR  30          2HD       TYR  30  -4.125 -11.420   7.205
  340    HD2  TYR  30          1HD       TYR  30  -4.201  -8.115   4.437
  341    HE1  TYR  30          2HE       TYR  30  -2.236 -12.424   5.952
  342    HE2  TYR  30          1HE       TYR  30  -2.304  -9.096   3.197
  343    HH   TYR  30           HH       TYR  30  -0.774 -10.752   3.106
  344    QB   TYR  30           QB       TYR  30  -5.296  -8.559   7.126
  345    QG   TYR  30           QD       TYR  30  -4.163  -9.768   5.821
  346    QZ   TYR  30           QE       TYR  30  -2.270 -10.760   4.575
  347    QR   TYR  30           QR       TYR  30  -3.216 -10.264   5.198
  348    H    HIS  31           H        HIS  31  -8.631  -7.740   5.689
  349    HA   HIS  31           HA       HIS  31  -8.612  -6.125   7.801
  350   1HB   HIS  31          1HB       HIS  31  -9.706  -5.652   5.659
  351   2HB   HIS  31          2HB       HIS  31 -11.045  -6.712   6.092
  352    HD1  HIS  31          1HD       HIS  31  -9.370  -3.723   8.044
  353    HD2  HIS  31          2HD       HIS  31 -13.029  -5.080   6.422
  354    HE1  HIS  31          1HE       HIS  31 -11.115  -2.055   8.736
  355    QB   HIS  31           QB       HIS  31 -10.376  -6.182   5.876
  356    HA   PRO  32           HA       PRO  32 -10.107  -8.774  11.014
  357   1HB   PRO  32          1HB       PRO  32 -10.225  -7.029  13.157
  358   2HB   PRO  32          2HB       PRO  32  -8.715  -7.708  12.469
  359   1HG   PRO  32          1HG       PRO  32 -10.022  -5.033  11.832
  360   2HG   PRO  32          2HG       PRO  32  -8.312  -5.331  12.280
  361   1HD   PRO  32          1HD       PRO  32  -9.029  -5.084   9.714
  362   2HD   PRO  32          2HD       PRO  32  -7.875  -6.381  10.175
  363    QB   PRO  32           QB       PRO  32  -9.470  -7.369  12.813
  364    QG   PRO  32           QG       PRO  32  -9.167  -5.182  12.056
  365    QD   PRO  32           QD       PRO  32  -8.452  -5.732   9.945
  366    H    ASP  33           H        ASP  33 -11.932  -5.945  10.045
  367    HA   ASP  33           HA       ASP  33 -14.205  -6.463  11.742
  368   1HB   ASP  33          1HB       ASP  33 -13.258  -4.288  10.415
  369   2HB   ASP  33          2HB       ASP  33 -14.419  -4.831   9.211
  370    QB   ASP  33           QB       ASP  33 -13.839  -4.560   9.813
  371    H    LYS  34           H        LYS  34 -13.029  -7.907   8.940
  372    HA   LYS  34           HA       LYS  34 -15.666  -8.899   7.949
  373   1HB   LYS  34          1HB       LYS  34 -15.015  -7.022   6.603
  374   2HB   LYS  34          2HB       LYS  34 -13.343  -7.558   6.561
  375   1HG   LYS  34          1HG       LYS  34 -14.176  -7.819   4.436
  376   2HG   LYS  34          2HG       LYS  34 -13.959  -9.446   5.076
  377   1HD   LYS  34          1HD       LYS  34 -16.277  -9.854   5.197
  378   2HD   LYS  34          2HD       LYS  34 -16.694  -8.117   5.097
  379   1HE   LYS  34          1HE       LYS  34 -16.076  -7.938   2.830
  380   2HE   LYS  34          2HE       LYS  34 -15.066  -9.383   2.889
  381   1HZ   LYS  34          2HZ       LYS  34 -18.019  -9.464   2.970
  382   2HZ   LYS  34          3HZ       LYS  34 -17.089  -9.677   1.643
  383   3HZ   LYS  34          1HZ       LYS  34 -16.961 -10.754   2.871
  384    QB   LYS  34           QB       LYS  34 -14.179  -7.290   6.582
  385    QG   LYS  34           QG       LYS  34 -14.067  -8.632   4.756
  386    QD   LYS  34           QD       LYS  34 -16.485  -8.986   5.147
  387    QE   LYS  34           QE       LYS  34 -15.571  -8.660   2.859
  388    QZ   LYS  34           QZ       LYS  34 -17.356  -9.965   2.495
  389    H    ASN  35           H        ASN  35 -12.330  -9.689   8.795
  390    HA   ASN  35           HA       ASN  35 -12.636 -12.384   7.606
  391   1HB   ASN  35          1HB       ASN  35 -10.264 -10.798   8.660
  392   2HB   ASN  35          2HB       ASN  35 -10.218 -12.557   8.542
  393   1HD2  ASN  35          2HD2      ASN  35  -9.061 -12.110   5.223
  394   2HD2  ASN  35          1HD2      ASN  35  -8.548 -12.498   6.838
  395    QB   ASN  35           QB       ASN  35 -10.241 -11.678   8.601
  396    QD2  ASN  35           QD2      ASN  35  -8.805 -12.304   6.030
  397    H    LYS  36           H        LYS  36 -10.991 -11.568  10.557
  398    HA   LYS  36           HA       LYS  36 -12.250 -11.581  12.734
  399   1HB   LYS  36          1HB       LYS  36 -12.722 -14.286  11.608
  400   2HB   LYS  36          2HB       LYS  36 -12.386 -14.223  13.336
  401   1HG   LYS  36          1HG       LYS  36 -14.174 -12.698  13.785
  402   2HG   LYS  36          2HG       LYS  36 -14.601 -12.580  12.071
  403   1HD   LYS  36          1HD       LYS  36 -15.412 -14.827  12.004
  404   2HD   LYS  36          2HD       LYS  36 -14.603 -15.245  13.519
  405   1HE   LYS  36          1HE       LYS  36 -17.021 -14.993  13.872
  406   2HE   LYS  36          2HE       LYS  36 -16.081 -13.841  14.807
  407   1HZ   LYS  36          1HZ       LYS  36 -16.572 -12.179  13.057
  408   2HZ   LYS  36          2HZ       LYS  36 -17.600 -13.250  12.347
  409   3HZ   LYS  36          3HZ       LYS  36 -17.879 -12.665  13.871
  410    QB   LYS  36           QB       LYS  36 -12.554 -14.255  12.472
  411    QG   LYS  36           QG       LYS  36 -14.387 -12.639  12.928
  412    QD   LYS  36           QD       LYS  36 -15.007 -15.036  12.761
  413    QE   LYS  36           QE       LYS  36 -16.551 -14.417  14.339
  414    QZ   LYS  36           QZ       LYS  36 -17.350 -12.698  13.092
  415    H    GLU  37           H        GLU  37  -9.772 -13.129  10.904
  416    HA   GLU  37           HA       GLU  37  -8.686 -14.841  12.628
  417   1HB   GLU  37          1HB       GLU  37  -8.424 -14.715  10.224
  418   2HB   GLU  37          2HB       GLU  37  -7.462 -13.256  10.356
  419   1HG   GLU  37          1HG       GLU  37  -5.689 -14.543  11.520
  420   2HG   GLU  37          2HG       GLU  37  -6.693 -16.006  11.408
  421    QB   GLU  37           QB       GLU  37  -7.943 -13.986  10.290
  422    QG   GLU  37           QG       GLU  37  -6.191 -15.274  11.464
  423    HA   PRO  38           HA       PRO  38  -6.197 -12.448  15.573
  424   1HB   PRO  38          1HB       PRO  38  -4.427 -14.380  16.406
  425   2HB   PRO  38          2HB       PRO  38  -6.135 -14.316  16.937
  426   1HG   PRO  38          1HG       PRO  38  -4.944 -15.961  14.677
  427   2HG   PRO  38          2HG       PRO  38  -6.007 -16.529  16.000
  428   1HD   PRO  38          1HD       PRO  38  -7.034 -15.923  13.592
  429   2HD   PRO  38          2HD       PRO  38  -7.900 -15.426  15.070
  430    QB   PRO  38           QB       PRO  38  -5.281 -14.348  16.672
  431    QG   PRO  38           QG       PRO  38  -5.476 -16.245  15.338
  432    QD   PRO  38           QD       PRO  38  -7.467 -15.675  14.331
  433    H    GLY  39           H        GLY  39  -4.239 -11.325  15.457
  434   1HA   GLY  39          1HA       GLY  39  -2.284 -10.518  14.616
  435   2HA   GLY  39          2HA       GLY  39  -2.030 -12.037  13.767
  436    QA   GLY  39           QA       GLY  39  -2.157 -11.277  14.191
  437    H    ALA  40           H        ALA  40  -4.898 -11.491  12.475
  438    HA   ALA  40           HA       ALA  40  -3.901 -10.267  10.091
  439   1HB   ALA  40          3HB       ALA  40  -5.688 -11.980  10.232
  440   2HB   ALA  40          1HB       ALA  40  -6.794 -10.726  10.872
  441   3HB   ALA  40          2HB       ALA  40  -6.107 -10.585   9.247
  442    QB   ALA  40           QB       ALA  40  -6.197 -11.097  10.117
  443    H    GLU  41           H        GLU  41  -5.518  -9.001  12.961
  444    HA   GLU  41           HA       GLU  41  -6.177  -6.405  11.973
  445   1HB   GLU  41          1HB       GLU  41  -7.257  -6.670  13.900
  446   2HB   GLU  41          2HB       GLU  41  -6.145  -7.854  14.503
  447   1HG   GLU  41          1HG       GLU  41  -5.281  -4.961  14.649
  448   2HG   GLU  41          2HG       GLU  41  -6.578  -5.514  15.698
  449    QB   GLU  41           QB       GLU  41  -6.701  -7.262  14.201
  450    QG   GLU  41           QG       GLU  41  -5.929  -5.238  15.173
  451    H    GLU  42           H        GLU  42  -3.179  -7.717  13.395
  452    HA   GLU  42           HA       GLU  42  -1.731  -5.248  13.300
  453   1HB   GLU  42          1HB       GLU  42  -0.991  -7.083  14.700
  454   2HB   GLU  42          2HB       GLU  42  -0.801  -8.126  13.293
  455   1HG   GLU  42          1HG       GLU  42   1.341  -7.288  14.090
  456   2HG   GLU  42          2HG       GLU  42   1.033  -6.775  12.438
  457    QB   GLU  42           QB       GLU  42  -0.896  -7.605  13.996
  458    QG   GLU  42           QG       GLU  42   1.187  -7.031  13.264
  459    H    LYS  43           H        LYS  43  -2.049  -7.989  11.021
  460    HA   LYS  43           HA       LYS  43  -0.328  -7.008   9.064
  461   1HB   LYS  43          1HB       LYS  43  -2.292  -9.154   9.384
  462   2HB   LYS  43          2HB       LYS  43  -2.415  -8.474   7.795
  463   1HG   LYS  43          1HG       LYS  43  -0.806 -10.278   7.687
  464   2HG   LYS  43          2HG       LYS  43   0.100  -8.770   7.545
  465   1HD   LYS  43          1HD       LYS  43   1.346 -10.063   9.090
  466   2HD   LYS  43          2HD       LYS  43   0.472  -8.933  10.111
  467   1HE   LYS  43          1HE       LYS  43  -1.316 -10.831  10.316
  468   2HE   LYS  43          2HE       LYS  43  -0.101 -11.872   9.570
  469   1HZ   LYS  43          1HZ       LYS  43   1.406 -11.076  11.433
  470   2HZ   LYS  43          2HZ       LYS  43   0.072 -10.471  12.172
  471   3HZ   LYS  43          3HZ       LYS  43   0.172 -12.066  11.886
  472    QB   LYS  43           QB       LYS  43  -2.353  -8.814   8.589
  473    QG   LYS  43           QG       LYS  43  -0.353  -9.524   7.616
  474    QD   LYS  43           QD       LYS  43   0.909  -9.498   9.601
  475    QE   LYS  43           QE       LYS  43  -0.708 -11.351   9.943
  476    QZ   LYS  43           QZ       LYS  43   0.550 -11.204  11.831
  477    H    PHE  44           H        PHE  44  -3.821  -6.455   9.518
  478    HA   PHE  44           HA       PHE  44  -4.269  -4.780   7.282
  479   1HB   PHE  44          1HB       PHE  44  -6.014  -5.777   8.708
  480   2HB   PHE  44          2HB       PHE  44  -5.529  -4.781  10.057
  481    HD1  PHE  44          1HD       PHE  44  -6.604  -4.353   6.451
  482    HD2  PHE  44          2HD       PHE  44  -6.734  -2.822  10.490
  483    HE1  PHE  44          1HE       PHE  44  -8.005  -2.454   5.700
  484    HE2  PHE  44          2HE       PHE  44  -8.159  -0.958   9.739
  485   1HZ   PHE  44           HZ       PHE  44  -8.759  -0.733   7.334
  486    QB   PHE  44           QB       PHE  44  -5.772  -5.279   9.383
  487    QG   PHE  44           QD       PHE  44  -6.669  -3.588   8.471
  488    QZ   PHE  44           QE       PHE  44  -8.082  -1.706   7.720
  489    QZ   PHE  44           QR       PHE  44  -7.652  -2.264   7.943
  490    H    LYS  45           H        LYS  45  -3.157  -3.969  10.603
  491    HA   LYS  45           HA       LYS  45  -2.860  -1.164  10.139
  492   1HB   LYS  45          1HB       LYS  45  -1.327  -2.942  12.085
  493   2HB   LYS  45          2HB       LYS  45  -1.220  -1.200  12.024
  494   1HG   LYS  45          1HG       LYS  45  -4.018  -1.958  12.156
  495   2HG   LYS  45          2HG       LYS  45  -3.138  -2.818  13.415
  496   1HD   LYS  45          1HD       LYS  45  -3.014   0.200  12.984
  497   2HD   LYS  45          2HD       LYS  45  -4.074  -0.612  14.152
  498   1HE   LYS  45          1HE       LYS  45  -2.160  -1.585  15.306
  499   2HE   LYS  45          2HE       LYS  45  -1.034  -0.893  14.137
  500   1HZ   LYS  45          2HZ       LYS  45  -1.715   1.321  14.928
  501   2HZ   LYS  45          3HZ       LYS  45  -2.740   0.627  16.004
  502   3HZ   LYS  45          1HZ       LYS  45  -1.125   0.376  16.143
  503    QB   LYS  45           QB       LYS  45  -1.274  -2.071  12.054
  504    QG   LYS  45           QG       LYS  45  -3.578  -2.388  12.785
  505    QD   LYS  45           QD       LYS  45  -3.544  -0.206  13.568
  506    QE   LYS  45           QE       LYS  45  -1.597  -1.239  14.721
  507    QZ   LYS  45           QZ       LYS  45  -1.860   0.775  15.692
  508    H    GLU  46           H        GLU  46  -0.532  -3.843   9.619
  509    HA   GLU  46           HA       GLU  46   1.680  -2.250   9.064
  510   1HB   GLU  46          1HB       GLU  46   1.138  -4.857   9.587
  511   2HB   GLU  46          2HB       GLU  46   1.303  -5.024   7.854
  512   1HG   GLU  46          1HG       GLU  46   3.417  -3.599   9.500
  513   2HG   GLU  46          2HG       GLU  46   3.260  -5.343   9.583
  514    QB   GLU  46           QB       GLU  46   1.221  -4.940   8.721
  515    QG   GLU  46           QG       GLU  46   3.338  -4.471   9.541
  516    H    ILE  47           H        ILE  47  -0.644  -3.871   6.911
  517    HA   ILE  47           HA       ILE  47   0.201  -2.868   4.362
  518    HB   ILE  47           HB       ILE  47  -2.487  -3.690   5.483
  519   1HG1  ILE  47          1HG1      ILE  47  -0.639  -5.094   3.499
  520   2HG1  ILE  47          2HG1      ILE  47  -0.602  -5.412   5.230
  521   1HG2  ILE  47          2HG2      ILE  47  -2.818  -2.138   3.565
  522   2HG2  ILE  47          3HG2      ILE  47  -1.779  -3.169   2.551
  523   3HG2  ILE  47          1HG2      ILE  47  -3.348  -3.750   3.185
  524   1HD1  ILE  47          1HD1      ILE  47  -3.045  -5.992   5.137
  525   2HD1  ILE  47          2HD1      ILE  47  -2.945  -5.899   3.362
  526   3HD1  ILE  47          3HD1      ILE  47  -1.944  -7.065   4.242
  527    QG1  ILE  47           QG1      ILE  47  -0.621  -5.253   4.365
  528    QG2  ILE  47           QG2      ILE  47  -2.648  -3.019   3.100
  529    QD1  ILE  47           QD1      ILE  47  -2.645  -6.318   4.247
  530    H    ALA  48           H        ALA  48  -1.961  -1.453   6.916
  531    HA   ALA  48           HA       ALA  48  -3.056   0.509   5.279
  532   1HB   ALA  48          2HB       ALA  48  -2.688   0.530   8.263
  533   2HB   ALA  48          3HB       ALA  48  -3.704   1.666   7.352
  534   3HB   ALA  48          1HB       ALA  48  -4.098  -0.062   7.338
  535    QB   ALA  48           QB       ALA  48  -3.497   0.712   7.651
  536    H    GLU  49           H        GLU  49   0.010   0.500   6.942
  537    HA   GLU  49           HA       GLU  49   0.554   3.330   6.829
  538   1HB   GLU  49          1HB       GLU  49   1.775   1.421   8.160
  539   2HB   GLU  49          2HB       GLU  49   2.630   1.104   6.654
  540   1HG   GLU  49          1HG       GLU  49   4.072   2.520   7.844
  541   2HG   GLU  49          2HG       GLU  49   3.305   3.612   6.698
  542    QB   GLU  49           QB       GLU  49   2.203   1.262   7.407
  543    QG   GLU  49           QG       GLU  49   3.688   3.066   7.271
  544    H    ALA  50           H        ALA  50   1.124   0.649   4.585
  545    HA   ALA  50           HA       ALA  50   2.396   2.288   2.517
  546   1HB   ALA  50          1HB       ALA  50   3.018  -0.078   2.800
  547   2HB   ALA  50          2HB       ALA  50   1.339  -0.569   2.461
  548   3HB   ALA  50          3HB       ALA  50   2.299   0.233   1.213
  549    QB   ALA  50           QB       ALA  50   2.218  -0.138   2.158
  550    H    TYR  51           H        TYR  51  -0.775   0.970   3.296
  551    HA   TYR  51           HA       TYR  51  -2.178   1.361   0.887
  552   1HB   TYR  51          1HB       TYR  51  -2.742   0.209   3.177
  553   2HB   TYR  51          2HB       TYR  51  -3.366   1.784   3.634
  554    HD1  TYR  51          2HD       TYR  51  -5.437   2.671   2.505
  555    HD2  TYR  51          1HD       TYR  51  -3.943  -1.332   1.892
  556    HE1  TYR  51          2HE       TYR  51  -7.709   1.889   1.882
  557    HE2  TYR  51          1HE       TYR  51  -6.192  -2.100   1.363
  558    HH   TYR  51           HH       TYR  51  -9.042   0.084   1.360
  559    QB   TYR  51           QB       TYR  51  -3.054   0.997   3.405
  560    QG   TYR  51           QD       TYR  51  -4.690   0.670   2.198
  561    QZ   TYR  51           QE       TYR  51  -6.950  -0.106   1.622
  562    QR   TYR  51           QR       TYR  51  -5.820   0.282   1.910
  563    H    ASP  52           H        ASP  52  -1.704   3.541   3.695
  564    HA   ASP  52           HA       ASP  52  -3.117   5.808   2.883
  565   1HB   ASP  52          1HB       ASP  52  -2.104   5.588   5.069
  566   2HB   ASP  52          2HB       ASP  52  -0.492   5.463   4.374
  567    QB   ASP  52           QB       ASP  52  -1.298   5.526   4.722
  568    H    VAL  53           H        VAL  53   0.318   5.033   2.233
  569    HA   VAL  53           HA       VAL  53   0.811   7.329   0.606
  570    HB   VAL  53           HB       VAL  53   2.159   4.568   0.621
  571   1HG1  VAL  53          1HG1      VAL  53   3.053   7.119  -0.766
  572   2HG1  VAL  53          2HG1      VAL  53   4.101   5.698  -0.474
  573   3HG1  VAL  53          3HG1      VAL  53   2.685   5.546  -1.497
  574   1HG2  VAL  53          2HG2      VAL  53   2.693   7.153   2.019
  575   2HG2  VAL  53          3HG2      VAL  53   2.493   5.516   2.687
  576   3HG2  VAL  53          1HG2      VAL  53   3.969   5.924   1.789
  577    QG1  VAL  53           QG1      VAL  53   3.280   6.121  -0.912
  578    QG2  VAL  53           QG2      VAL  53   3.052   6.198   2.165
  579    QQG  VAL  53           QQG      VAL  53   3.166   6.159   0.626
  580    H    LEU  54           H        LEU  54   0.013   3.917  -0.319
  581    HA   LEU  54           HA       LEU  54   0.362   4.608  -3.038
  582   1HB   LEU  54          1HB       LEU  54  -0.512   2.138  -1.570
  583   2HB   LEU  54          2HB       LEU  54  -0.819   2.312  -3.285
  584    HG   LEU  54           HG       LEU  54   1.648   2.973  -3.560
  585   1HD1  LEU  54          2HD1      LEU  54   1.808   1.544  -0.875
  586   2HD1  LEU  54          3HD1      LEU  54   3.183   1.892  -1.928
  587   3HD1  LEU  54          1HD1      LEU  54   2.270   3.225  -1.204
  588   1HD2  LEU  54          2HD2      LEU  54   0.478   0.687  -4.118
  589   2HD2  LEU  54          3HD2      LEU  54   2.233   0.880  -4.198
  590   3HD2  LEU  54          1HD2      LEU  54   1.500   0.108  -2.794
  591    QB   LEU  54           QB       LEU  54  -0.665   2.225  -2.427
  592    QD1  LEU  54           QD1      LEU  54   2.420   2.220  -1.336
  593    QD2  LEU  54           QD2      LEU  54   1.404   0.558  -3.703
  594    QQD  LEU  54           QQD      LEU  54   1.912   1.389  -2.520
  595    H    SER  55           H        SER  55  -2.508   4.668  -0.971
  596    HA   SER  55           HA       SER  55  -4.256   5.090  -3.282
  597   1HB   SER  55          1HB       SER  55  -5.995   5.477  -1.644
  598   2HB   SER  55          2HB       SER  55  -5.137   3.973  -1.327
  599    HG   SER  55           HG       SER  55  -4.064   4.903   0.362
  600    QB   SER  55           QB       SER  55  -5.566   4.725  -1.485
  601    H    ASP  56           H        ASP  56  -2.416   7.203  -0.975
  602    HA   ASP  56           HA       ASP  56  -4.043   9.484  -1.690
  603   1HB   ASP  56          1HB       ASP  56  -3.147   9.300   0.574
  604   2HB   ASP  56          2HB       ASP  56  -1.490   9.279  -0.057
  605    QB   ASP  56           QB       ASP  56  -2.318   9.290   0.258
  606    HA   PRO  57           HA       PRO  57  -1.504   9.986  -5.296
  607   1HB   PRO  57          1HB       PRO  57  -2.488  12.373  -6.329
  608   2HB   PRO  57          2HB       PRO  57  -3.329  10.795  -6.463
  609   1HG   PRO  57          1HG       PRO  57  -3.781  12.994  -4.434
  610   2HG   PRO  57          2HG       PRO  57  -4.999  12.069  -5.363
  611   1HD   PRO  57          1HD       PRO  57  -4.365  11.436  -2.790
  612   2HD   PRO  57          2HD       PRO  57  -4.715  10.155  -3.999
  613    QB   PRO  57           QB       PRO  57  -2.909  11.584  -6.396
  614    QG   PRO  57           QG       PRO  57  -4.390  12.532  -4.899
  615    QD   PRO  57           QD       PRO  57  -4.540  10.795  -3.395
  616    H    ARG  58           H        ARG  58  -1.533  12.380  -2.728
  617    HA   ARG  58           HA       ARG  58   0.563  13.979  -4.075
  618   1HB   ARG  58          1HB       ARG  58  -0.970  14.321  -1.465
  619   2HB   ARG  58          2HB       ARG  58   0.274  15.421  -2.078
  620   1HG   ARG  58          1HG       ARG  58  -1.108  15.757  -4.155
  621   2HG   ARG  58          2HG       ARG  58  -2.341  14.713  -3.476
  622   1HD   ARG  58          1HD       ARG  58  -2.895  17.078  -3.170
  623   2HD   ARG  58          2HD       ARG  58  -2.794  16.176  -1.675
  624    HE   ARG  58           HE       ARG  58  -1.554  17.887  -0.985
  625   1HH1  ARG  58          2HH2      ARG  58  -0.252  17.308  -4.292
  626   2HH1  ARG  58          1HH2      ARG  58   1.023  18.462  -4.064
  627   1HH2  ARG  58          2HH1      ARG  58   0.185  19.370  -0.791
  628   2HH2  ARG  58          1HH1      ARG  58   1.226  19.608  -2.174
  629    QB   ARG  58           QB       ARG  58  -0.348  14.871  -1.771
  630    QG   ARG  58           QG       ARG  58  -1.724  15.235  -3.816
  631    QD   ARG  58           QD       ARG  58  -2.844  16.627  -2.423
  632    QH1  ARG  58           QH2      ARG  58   0.385  17.885  -4.178
  633    QH2  ARG  58           QH1      ARG  58   0.705  19.489  -1.483
  634    H    LYS  59           H        LYS  59   0.182  11.694  -1.376
  635    HA   LYS  59           HA       LYS  59   2.813  12.140  -0.350
  636   1HB   LYS  59          1HB       LYS  59   0.658  10.908   0.631
  637   2HB   LYS  59          2HB       LYS  59   1.392   9.468  -0.051
  638   1HG   LYS  59          1HG       LYS  59   2.543  11.357   2.046
  639   2HG   LYS  59          2HG       LYS  59   1.871   9.765   2.325
  640   1HD   LYS  59          1HD       LYS  59   3.923   8.913   2.199
  641   2HD   LYS  59          2HD       LYS  59   3.940   9.267   0.488
  642   1HE   LYS  59          1HE       LYS  59   5.905  10.234   1.378
  643   2HE   LYS  59          2HE       LYS  59   4.820  11.610   1.137
  644   1HZ   LYS  59          3HZ       LYS  59   5.058  10.222   3.754
  645   2HZ   LYS  59          1HZ       LYS  59   6.025  11.480   3.331
  646   3HZ   LYS  59          2HZ       LYS  59   4.414  11.684   3.477
  647    QB   LYS  59           QB       LYS  59   1.025  10.188   0.290
  648    QG   LYS  59           QG       LYS  59   2.207  10.561   2.186
  649    QD   LYS  59           QD       LYS  59   3.932   9.090   1.343
  650    QE   LYS  59           QE       LYS  59   5.362  10.922   1.257
  651    QZ   LYS  59           QZ       LYS  59   5.166  11.129   3.521
  652    H    ARG  60           H        ARG  60   1.416   9.627  -2.637
  653    HA   ARG  60           HA       ARG  60   3.872   8.380  -3.004
  654   1HB   ARG  60          1HB       ARG  60   1.305   7.821  -3.699
  655   2HB   ARG  60          2HB       ARG  60   1.906   8.354  -5.286
  656   1HG   ARG  60          1HG       ARG  60   3.841   6.750  -5.022
  657   2HG   ARG  60          2HG       ARG  60   3.208   6.382  -3.410
  658   1HD   ARG  60          1HD       ARG  60   2.503   4.598  -4.641
  659   2HD   ARG  60          2HD       ARG  60   1.077   5.641  -4.573
  660    HE   ARG  60           HE       ARG  60   2.988   5.436  -6.909
  661   1HH1  ARG  60          2HH2      ARG  60  -0.372   6.003  -5.832
  662   2HH1  ARG  60          1HH2      ARG  60  -0.912   6.420  -7.397
  663   1HH2  ARG  60          2HH1      ARG  60   2.228   6.093  -8.956
  664   2HH2  ARG  60          1HH1      ARG  60   0.589   6.527  -9.189
  665    QB   ARG  60           QB       ARG  60   1.606   8.087  -4.492
  666    QG   ARG  60           QG       ARG  60   3.524   6.566  -4.216
  667    QD   ARG  60           QD       ARG  60   1.790   5.119  -4.607
  668    QH1  ARG  60           QH2      ARG  60  -0.642   6.211  -6.614
  669    QH2  ARG  60           QH1      ARG  60   1.409   6.310  -9.073
  670    H    GLU  61           H        GLU  61   2.963  11.493  -4.327
  671    HA   GLU  61           HA       GLU  61   4.340  11.353  -6.771
  672   1HB   GLU  61          1HB       GLU  61   2.871  13.201  -5.525
  673   2HB   GLU  61          2HB       GLU  61   4.409  13.817  -4.957
  674   1HG   GLU  61          1HG       GLU  61   3.605  13.372  -7.870
  675   2HG   GLU  61          2HG       GLU  61   3.427  14.889  -6.986
  676    QB   GLU  61           QB       GLU  61   3.640  13.509  -5.241
  677    QG   GLU  61           QG       GLU  61   3.516  14.130  -7.428
  678    H    ILE  62           H        ILE  62   5.525  11.919  -3.484
  679    HA   ILE  62           HA       ILE  62   8.243  12.471  -4.190
  680    HB   ILE  62           HB       ILE  62   6.980  11.377  -1.615
  681   1HG1  ILE  62          1HG1      ILE  62   7.574  14.292  -2.284
  682   2HG1  ILE  62          2HG1      ILE  62   5.977  13.557  -2.374
  683   1HG2  ILE  62          3HG2      ILE  62   9.466  11.110  -1.636
  684   2HG2  ILE  62          1HG2      ILE  62   9.620  12.870  -1.845
  685   3HG2  ILE  62          2HG2      ILE  62   8.900  12.179  -0.383
  686   1HD1  ILE  62          1HD1      ILE  62   6.135  12.928   0.040
  687   2HD1  ILE  62          2HD1      ILE  62   7.621  13.903   0.148
  688   3HD1  ILE  62          3HD1      ILE  62   6.088  14.674  -0.285
  689    QG1  ILE  62           QG1      ILE  62   6.775  13.924  -2.329
  690    QG2  ILE  62           QG2      ILE  62   9.329  12.053  -1.288
  691    QD1  ILE  62           QD1      ILE  62   6.615  13.835  -0.032
  692    H    PHE  63           H        PHE  63   6.439   9.527  -3.322
  693    HA   PHE  63           HA       PHE  63   8.722   7.763  -3.103
  694   1HB   PHE  63          1HB       PHE  63   6.407   7.393  -2.145
  695   2HB   PHE  63          2HB       PHE  63   5.813   7.152  -3.776
  696    HD1  PHE  63          2HD       PHE  63   6.686   5.176  -5.168
  697    HD2  PHE  63          1HD       PHE  63   7.524   5.661  -0.957
  698    HE1  PHE  63          2HE       PHE  63   7.224   2.758  -4.974
  699    HE2  PHE  63          1HE       PHE  63   8.072   3.272  -0.790
  700   1HZ   PHE  63           HZ       PHE  63   7.857   1.791  -2.773
  701    QB   PHE  63           QB       PHE  63   6.110   7.272  -2.960
  702    QG   PHE  63           QD       PHE  63   7.105   5.418  -3.062
  703    QZ   PHE  63           QE       PHE  63   7.648   3.015  -2.882
  704    QZ   PHE  63           QR       PHE  63   7.473   3.732  -2.932
  705    H    ASP  64           H        ASP  64   6.467   8.682  -5.726
  706    HA   ASP  64           HA       ASP  64   7.393   6.781  -7.623
  707   1HB   ASP  64          1HB       ASP  64   5.167   8.083  -7.613
  708   2HB   ASP  64          2HB       ASP  64   6.078   9.467  -8.189
  709    QB   ASP  64           QB       ASP  64   5.623   8.775  -7.901
  710    H    ARG  65           H        ARG  65   8.126  10.285  -7.115
  711    HA   ARG  65           HA       ARG  65   9.815  10.512  -9.335
  712   1HB   ARG  65          1HB       ARG  65  10.167  12.639  -8.655
  713   2HB   ARG  65          2HB       ARG  65   8.588  12.303  -7.950
  714   1HG   ARG  65          1HG       ARG  65   9.763  11.910  -5.764
  715   2HG   ARG  65          2HG       ARG  65  11.246  12.529  -6.513
  716   1HD   ARG  65          1HD       ARG  65   8.599  14.010  -6.304
  717   2HD   ARG  65          2HD       ARG  65   9.969  14.240  -5.220
  718    HE   ARG  65           HE       ARG  65  11.326  14.933  -7.211
  719   1HH1  ARG  65          2HH2      ARG  65   7.730  15.256  -7.508
  720   2HH1  ARG  65          1HH2      ARG  65   7.879  16.344  -8.821
  721   1HH2  ARG  65          2HH1      ARG  65  11.416  16.356  -8.821
  722   2HH2  ARG  65          1HH1      ARG  65  10.004  17.171  -9.476
  723    QB   ARG  65           QB       ARG  65   9.377  12.471  -8.302
  724    QG   ARG  65           QG       ARG  65  10.505  12.220  -6.138
  725    QD   ARG  65           QD       ARG  65   9.284  14.125  -5.762
  726    QH1  ARG  65           QH2      ARG  65   7.804  15.800  -8.164
  727    QH2  ARG  65           QH1      ARG  65  10.710  16.764  -9.148
  728    H    TYR  66           H        TYR  66  10.619   9.909  -5.937
  729    HA   TYR  66           HA       TYR  66  13.493   9.772  -6.603
  730   1HB   TYR  66          1HB       TYR  66  12.003   9.571  -3.980
  731   2HB   TYR  66          2HB       TYR  66  13.755   9.568  -4.136
  732    HD1  TYR  66          1HD       TYR  66  14.634  11.629  -5.766
  733    HD2  TYR  66          2HD       TYR  66  11.192  11.641  -3.180
  734    HE1  TYR  66          1HE       TYR  66  14.759  14.089  -5.621
  735    HE2  TYR  66          2HE       TYR  66  11.332  14.110  -2.994
  736    HH   TYR  66           HH       TYR  66  13.984  15.965  -4.405
  737    QB   TYR  66           QB       TYR  66  12.879   9.569  -4.058
  738    QG   TYR  66           QD       TYR  66  12.913  11.635  -4.473
  739    QZ   TYR  66           QE       TYR  66  13.046  14.100  -4.308
  740    QR   TYR  66           QR       TYR  66  12.979  12.867  -4.390
  741    H    GLY  67           H        GLY  67  10.907   7.432  -5.835
  742   1HA   GLY  67          1HA       GLY  67  11.087   5.109  -5.803
  743   2HA   GLY  67          2HA       GLY  67  12.857   5.206  -5.768
  744    QA   GLY  67           QA       GLY  67  11.972   5.157  -5.785
  745    H    GLU  68           H        GLU  68  12.452   3.686  -3.872
  746    HA   GLU  68           HA       GLU  68  10.984   4.285  -1.617
  747   1HB   GLU  68          1HB       GLU  68  12.765   2.229  -2.424
  748   2HB   GLU  68          2HB       GLU  68  13.504   2.869  -0.981
  749   1HG   GLU  68          1HG       GLU  68  12.110   1.114  -0.251
  750   2HG   GLU  68          2HG       GLU  68  11.278   2.596   0.214
  751    QB   GLU  68           QB       GLU  68  13.134   2.549  -1.703
  752    QG   GLU  68           QG       GLU  68  11.694   1.855  -0.019
  753    H    GLU  69           H        GLU  69  14.177   5.450  -2.476
  754    HA   GLU  69           HA       GLU  69  15.099   6.206   0.080
  755   1HB   GLU  69          1HB       GLU  69  16.817   7.422  -1.093
  756   2HB   GLU  69          2HB       GLU  69  16.477   5.932  -1.968
  757   1HG   GLU  69          1HG       GLU  69  15.176   7.182  -3.629
  758   2HG   GLU  69          2HG       GLU  69  15.422   8.687  -2.725
  759    QB   GLU  69           QB       GLU  69  16.647   6.677  -1.530
  760    QG   GLU  69           QG       GLU  69  15.299   7.935  -3.177
  761    H    GLY  70           H        GLY  70  12.779   7.792  -2.038
  762   1HA   GLY  70          1HA       GLY  70  13.039  10.432  -0.819
  763   2HA   GLY  70          2HA       GLY  70  11.750   9.865  -1.893
  764    QA   GLY  70           QA       GLY  70  12.394  10.149  -1.356
  765    H    LEU  71           H        LEU  71  11.508   7.425   0.095
  766    HA   LEU  71           HA       LEU  71   9.474   8.783   1.736
  767   1HB   LEU  71          1HB       LEU  71   9.223   6.573   0.282
  768   2HB   LEU  71          2HB       LEU  71   9.886   5.787   1.695
  769    HG   LEU  71           HG       LEU  71   7.496   5.670   1.787
  770   1HD1  LEU  71          2HD1      LEU  71   8.537   6.156   3.979
  771   2HD1  LEU  71          3HD1      LEU  71   8.241   7.895   3.737
  772   3HD1  LEU  71          1HD1      LEU  71   6.882   6.763   3.856
  773   1HD2  LEU  71          1HD2      LEU  71   6.991   7.552   0.238
  774   2HD2  LEU  71          2HD2      LEU  71   5.979   7.544   1.689
  775   3HD2  LEU  71          3HD2      LEU  71   7.321   8.698   1.548
  776    QB   LEU  71           QB       LEU  71   9.554   6.180   0.989
  777    QD1  LEU  71           QD1      LEU  71   7.887   6.938   3.857
  778    QD2  LEU  71           QD2      LEU  71   6.764   7.932   1.158
  779    QQD  LEU  71           QQD      LEU  71   7.325   7.435   2.508
  780    H    LYS  72           H        LYS  72  11.682   9.741   2.581
  781    HA   LYS  72           HA       LYS  72  12.804   8.219   4.838
  782   1HB   LYS  72          1HB       LYS  72  13.595  10.582   3.416
  783   2HB   LYS  72          2HB       LYS  72  13.179  11.123   5.028
  784   1HG   LYS  72          1HG       LYS  72  15.473  10.627   5.072
  785   2HG   LYS  72          2HG       LYS  72  14.674   9.341   5.992
  786   1HD   LYS  72          1HD       LYS  72  14.912   7.787   4.089
  787   2HD   LYS  72          2HD       LYS  72  15.413   9.126   3.049
  788   1HE   LYS  72          1HE       LYS  72  17.386   7.869   3.632
  789   2HE   LYS  72          2HE       LYS  72  17.448   9.457   4.406
  790   1HZ   LYS  72          3HZ       LYS  72  16.724   8.397   6.460
  791   2HZ   LYS  72          1HZ       LYS  72  16.816   6.879   5.727
  792   3HZ   LYS  72          2HZ       LYS  72  18.126   7.831   5.936
  793    QB   LYS  72           QB       LYS  72  13.387  10.853   4.222
  794    QG   LYS  72           QG       LYS  72  15.073   9.984   5.532
  795    QD   LYS  72           QD       LYS  72  15.163   8.457   3.569
  796    QE   LYS  72           QE       LYS  72  17.417   8.663   4.019
  797    QZ   LYS  72           QZ       LYS  72  17.222   7.702   6.041
  798    H    GLY  73           H        GLY  73  10.823   7.558   5.647
  799   1HA   GLY  73          1HA       GLY  73   8.645   9.090   6.538
  800   2HA   GLY  73          2HA       GLY  73   9.217   7.593   7.314
  801    QA   GLY  73           QA       GLY  73   8.931   8.341   6.926
  802    H    SER  74           H        SER  74  11.194   7.856   8.761
  803    HA   SER  74           HA       SER  74  12.211  10.420   9.378
  804   1HB   SER  74          1HB       SER  74  10.616   8.956  11.540
  805   2HB   SER  74          2HB       SER  74  11.805  10.220  11.890
  806    HG   SER  74           HG       SER  74   9.903  10.816   9.939
  807    QB   SER  74           QB       SER  74  11.211   9.588  11.715
  808    H    GLY  75           H        GLY  75  14.282  10.080  10.513
  809   1HA   GLY  75          1HA       GLY  75  15.340   7.697  11.477
  810   2HA   GLY  75          2HA       GLY  75  15.716   7.761   9.740
  811    QA   GLY  75           QA       GLY  75  15.528   7.729  10.608
  812    H    CYS  76           H        CYS  76  17.392   8.170  12.262
  813    HA   CYS  76           HA       CYS  76  18.892   9.493  13.251
  814   1HB   CYS  76          1HB       CYS  76  18.956  10.861  10.538
  815   2HB   CYS  76          2HB       CYS  76  19.673  11.655  11.919
  816    HG   CYS  76           HG       CYS  76  21.574  10.586  10.675
  817    QB   CYS  76           QB       CYS  76  19.315  11.258  11.229
   
  No H/Q in entry =         817
  Start of MODEL    9
    1    H    MET   0           H        MET   0  12.119  -1.981   0.388
    2    HA   MET   0           HA       MET   0  13.804  -2.095   2.186
    3   1HB   MET   0          1HB       MET   0  15.566  -2.164   0.095
    4   2HB   MET   0          2HB       MET   0  15.638  -0.434   0.452
    5   1HG   MET   0          1HG       MET   0  17.393  -1.798   1.541
    6   2HG   MET   0          2HG       MET   0  16.428  -0.871   2.686
    7   1HE   MET   0          1HE       MET   0  14.663  -1.721   4.144
    8   2HE   MET   0          2HE       MET   0  14.892  -3.262   4.998
    9   3HE   MET   0          3HE       MET   0  16.197  -2.049   4.961
   10    QB   MET   0           QB       MET   0  15.602  -1.299   0.273
   11    QG   MET   0           QG       MET   0  16.910  -1.334   2.113
   12    QE   MET   0           QE       MET   0  15.250  -2.344   4.701
   13    H    GLY   1           H        GLY   1  14.928   0.377   2.981
   14   1HA   GLY   1          1HA       GLY   1  14.295   2.443   3.673
   15   2HA   GLY   1          2HA       GLY   1  13.651   2.633   2.041
   16    QA   GLY   1           QA       GLY   1  13.973   2.538   2.857
   17    H    LYS   2           H        LYS   2  12.257   0.145   4.018
   18    HA   LYS   2           HA       LYS   2  10.172  -0.363   4.343
   19   1HB   LYS   2          1HB       LYS   2  10.302   0.868   6.378
   20   2HB   LYS   2          2HB       LYS   2   9.962   2.392   5.557
   21   1HG   LYS   2          1HG       LYS   2   8.030   1.385   6.835
   22   2HG   LYS   2          2HG       LYS   2   7.683   1.797   5.158
   23   1HD   LYS   2          1HD       LYS   2   7.923  -0.575   4.486
   24   2HD   LYS   2          2HD       LYS   2   8.340  -1.017   6.147
   25   1HE   LYS   2          1HE       LYS   2   5.738   0.359   5.392
   26   2HE   LYS   2          2HE       LYS   2   5.932  -1.385   5.304
   27   1HZ   LYS   2          1HZ       LYS   2   6.267   0.164   7.809
   28   2HZ   LYS   2          2HZ       LYS   2   4.989  -0.796   7.321
   29   3HZ   LYS   2          3HZ       LYS   2   6.447  -1.465   7.598
   30    QB   LYS   2           QB       LYS   2  10.132   1.630   5.967
   31    QG   LYS   2           QG       LYS   2   7.856   1.591   5.996
   32    QD   LYS   2           QD       LYS   2   8.131  -0.796   5.316
   33    QE   LYS   2           QE       LYS   2   5.835  -0.513   5.348
   34    QZ   LYS   2           QZ       LYS   2   5.901  -0.699   7.576
   35    H    ASP   3           H        ASP   3   9.748  -0.746   2.198
   36    HA   ASP   3           HA       ASP   3   8.820   1.277   0.417
   37   1HB   ASP   3          1HB       ASP   3   7.921  -1.574   0.046
   38   2HB   ASP   3          2HB       ASP   3   8.480  -0.418  -1.141
   39    QB   ASP   3           QB       ASP   3   8.200  -0.996  -0.547
   40    H    TYR   4           H        TYR   4   6.664   1.715  -0.199
   41    HA   TYR   4           HA       TYR   4   4.411   0.279   1.176
   42   1HB   TYR   4          1HB       TYR   4   4.491   3.124   0.128
   43   2HB   TYR   4          2HB       TYR   4   3.099   2.306   0.767
   44    HD1  TYR   4          1HD       TYR   4   4.409   1.093   3.333
   45    HD2  TYR   4          2HD       TYR   4   4.652   4.973   1.460
   46    HE1  TYR   4          1HE       TYR   4   4.957   2.155   5.518
   47    HE2  TYR   4          2HE       TYR   4   5.200   6.005   3.621
   48    HH   TYR   4           HH       TYR   4   4.913   5.472   6.077
   49    QB   TYR   4           QB       TYR   4   3.795   2.715   0.447
   50    QG   TYR   4           QD       TYR   4   4.530   3.033   2.397
   51    QZ   TYR   4           QE       TYR   4   5.078   4.080   4.569
   52    QR   TYR   4           QR       TYR   4   4.804   3.556   3.483
   53    H    TYR   5           H        TYR   5   4.635  -1.310  -0.493
   54    HA   TYR   5           HA       TYR   5   3.176  -0.627  -2.931
   55   1HB   TYR   5          1HB       TYR   5   6.004  -0.653  -3.091
   56   2HB   TYR   5          2HB       TYR   5   5.536  -2.219  -3.701
   57    HD1  TYR   5          1HD       TYR   5   4.766   1.446  -4.060
   58    HD2  TYR   5          2HD       TYR   5   4.947  -2.396  -6.019
   59    HE1  TYR   5          1HE       TYR   5   4.291   2.534  -6.194
   60    HE2  TYR   5          2HE       TYR   5   4.461  -1.312  -8.171
   61    HH   TYR   5           HH       TYR   5   3.970   0.709  -9.267
   62    QB   TYR   5           QB       TYR   5   5.770  -1.436  -3.396
   63    QG   TYR   5           QD       TYR   5   4.857  -0.475  -5.040
   64    QZ   TYR   5           QE       TYR   5   4.376   0.611  -7.182
   65    QR   TYR   5           QR       TYR   5   4.616   0.068  -6.111
   66    H    GLN   6           H        GLN   6   5.309  -3.261  -1.748
   67    HA   GLN   6           HA       GLN   6   3.578  -5.403  -2.294
   68   1HB   GLN   6          1HB       GLN   6   5.253  -5.892   0.000
   69   2HB   GLN   6          2HB       GLN   6   5.300  -6.608  -1.557
   70   1HG   GLN   6          1HG       GLN   6   6.848  -4.774  -2.326
   71   2HG   GLN   6          2HG       GLN   6   6.703  -4.008  -0.731
   72   1HE2  GLN   6          2HE2      GLN   6   9.001  -7.431  -1.108
   73   2HE2  GLN   6          1HE2      GLN   6   7.896  -6.945  -2.393
   74    QB   GLN   6           QB       GLN   6   5.276  -6.250  -0.779
   75    QG   GLN   6           QG       GLN   6   6.776  -4.391  -1.529
   76    QE2  GLN   6           QE2      GLN   6   8.448  -7.188  -1.750
   77    H    THR   7           H        THR   7   3.950  -3.509   0.566
   78    HA   THR   7           HA       THR   7   2.231  -4.940   2.300
   79    HB   THR   7           HB       THR   7   2.888  -1.983   2.126
   80    HG1  THR   7          1HG       THR   7   3.876  -3.383   4.229
   81   1HG2  THR   7          1HG2      THR   7   1.577  -3.455   4.427
   82   2HG2  THR   7          2HG2      THR   7   2.257  -1.797   4.468
   83   3HG2  THR   7          3HG2      THR   7   0.870  -2.148   3.444
   84    QG2  THR   7           QG2      THR   7   1.568  -2.467   4.113
   85    H    LEU   8           H        LEU   8   1.374  -2.830  -0.327
   86    HA   LEU   8           HA       LEU   8  -1.519  -2.988   0.326
   87   1HB   LEU   8          1HB       LEU   8  -0.330  -0.882  -0.454
   88   2HB   LEU   8          2HB       LEU   8  -0.237  -1.604  -2.047
   89    HG   LEU   8           HG       LEU   8  -2.009   0.091  -1.700
   90   1HD1  LEU   8          2HD1      LEU   8  -2.230  -1.760  -3.425
   91   2HD1  LEU   8          3HD1      LEU   8  -3.449  -2.469  -2.336
   92   3HD1  LEU   8          1HD1      LEU   8  -3.678  -0.856  -2.987
   93   1HD2  LEU   8          2HD2      LEU   8  -2.616  -0.483   0.647
   94   2HD2  LEU   8          3HD2      LEU   8  -3.997  -0.273  -0.440
   95   3HD2  LEU   8          1HD2      LEU   8  -3.493  -1.909   0.031
   96    QB   LEU   8           QB       LEU   8  -0.283  -1.243  -1.251
   97    QD1  LEU   8           QD1      LEU   8  -3.119  -1.695  -2.916
   98    QD2  LEU   8           QD2      LEU   8  -3.369  -0.888   0.079
   99    QQD  LEU   8           QQD      LEU   8  -3.244  -1.292  -1.418
  100    H    GLY   9           H        GLY   9   0.947  -4.663  -1.334
  101   1HA   GLY   9          1HA       GLY   9   0.226  -6.932  -1.800
  102   2HA   GLY   9          2HA       GLY   9  -1.079  -6.265  -2.794
  103    QA   GLY   9           QA       GLY   9  -0.427  -6.599  -2.297
  104    H    LEU  10           H        LEU  10   1.747  -4.455  -3.331
  105    HA   LEU  10           HA       LEU  10   1.721  -5.635  -5.995
  106   1HB   LEU  10          1HB       LEU  10   2.492  -2.888  -5.014
  107   2HB   LEU  10          2HB       LEU  10   2.767  -3.422  -6.644
  108    HG   LEU  10           HG       LEU  10   0.774  -2.414  -6.973
  109   1HD1  LEU  10          2HD1      LEU  10   0.430  -4.833  -7.597
  110   2HD1  LEU  10          3HD1      LEU  10  -0.322  -5.095  -6.009
  111   3HD1  LEU  10          1HD1      LEU  10  -1.079  -3.989  -7.129
  112   1HD2  LEU  10          3HD2      LEU  10   0.431  -1.796  -4.639
  113   2HD2  LEU  10          1HD2      LEU  10  -1.070  -2.362  -5.429
  114   3HD2  LEU  10          2HD2      LEU  10  -0.219  -3.427  -4.301
  115    QB   LEU  10           QB       LEU  10   2.630  -3.155  -5.829
  116    QD1  LEU  10           QD1      LEU  10  -0.324  -4.639  -6.912
  117    QD2  LEU  10           QD2      LEU  10  -0.286  -2.528  -4.790
  118    QQD  LEU  10           QQD      LEU  10  -0.305  -3.583  -5.851
  119    H    ALA  11           H        ALA  11   3.841  -4.923  -7.322
  120    HA   ALA  11           HA       ALA  11   6.291  -5.874  -6.056
  121   1HB   ALA  11          3HB       ALA  11   4.810  -7.268  -8.343
  122   2HB   ALA  11          1HB       ALA  11   6.513  -7.529  -7.992
  123   3HB   ALA  11          2HB       ALA  11   5.280  -7.972  -6.792
  124    QB   ALA  11           QB       ALA  11   5.534  -7.590  -7.709
  125    H    ARG  12           H        ARG  12   7.974  -5.844  -7.938
  126    HA   ARG  12           HA       ARG  12   8.024  -3.011  -8.531
  127   1HB   ARG  12          1HB       ARG  12  10.090  -5.208  -8.952
  128   2HB   ARG  12          2HB       ARG  12  10.367  -3.494  -9.232
  129   1HG   ARG  12          1HG       ARG  12   9.665  -4.804  -6.563
  130   2HG   ARG  12          2HG       ARG  12  11.211  -4.124  -7.042
  131   1HD   ARG  12          1HD       ARG  12   8.626  -2.599  -6.528
  132   2HD   ARG  12          2HD       ARG  12  10.106  -2.580  -5.569
  133    HE   ARG  12           HE       ARG  12  10.919  -1.821  -8.092
  134   1HH1  ARG  12          2HH2      ARG  12   8.851  -0.426  -5.582
  135   2HH1  ARG  12          1HH2      ARG  12   9.146   1.211  -6.089
  136   1HH2  ARG  12          2HH1      ARG  12  11.105   0.261  -8.903
  137   2HH2  ARG  12          1HH1      ARG  12  10.579   1.611  -7.956
  138    QB   ARG  12           QB       ARG  12  10.228  -4.351  -9.092
  139    QG   ARG  12           QG       ARG  12  10.438  -4.464  -6.802
  140    QD   ARG  12           QD       ARG  12   9.366  -2.590  -6.048
  141    QH1  ARG  12           QH2      ARG  12   8.998   0.392  -5.836
  142    QH2  ARG  12           QH1      ARG  12  10.842   0.936  -8.430
  143    H    GLY  13           H        GLY  13   6.539  -2.608 -10.010
  144   1HA   GLY  13          1HA       GLY  13   7.021  -2.108 -12.559
  145   2HA   GLY  13          2HA       GLY  13   6.604  -3.826 -12.698
  146    QA   GLY  13           QA       GLY  13   6.813  -2.967 -12.629
  147    H    ALA  14           H        ALA  14   4.705  -3.504 -10.292
  148    HA   ALA  14           HA       ALA  14   2.320  -3.069 -11.742
  149   1HB   ALA  14          3HB       ALA  14   2.858  -3.015  -8.754
  150   2HB   ALA  14          1HB       ALA  14   1.255  -3.172  -9.492
  151   3HB   ALA  14          2HB       ALA  14   2.453  -4.459  -9.712
  152    QB   ALA  14           QB       ALA  14   2.189  -3.548  -9.319
  153    H    SER  15           H        SER  15   0.665  -1.425 -11.293
  154    HA   SER  15           HA       SER  15   1.785   1.313 -10.908
  155   1HB   SER  15          1HB       SER  15   0.454   1.886 -12.957
  156   2HB   SER  15          2HB       SER  15   1.713   0.696 -13.302
  157    HG   SER  15           HG       SER  15  -0.594   0.355 -14.077
  158    QB   SER  15           QB       SER  15   1.084   1.291 -13.129
  159    H    ASP  16           H        ASP  16  -0.160   2.851 -11.343
  160    HA   ASP  16           HA       ASP  16  -1.540   2.933  -8.939
  161   1HB   ASP  16          1HB       ASP  16  -2.767   4.815  -9.957
  162   2HB   ASP  16          2HB       ASP  16  -1.025   4.934 -10.215
  163    QB   ASP  16           QB       ASP  16  -1.896   4.874 -10.086
  164    H    GLU  17           H        GLU  17  -2.349   1.598 -12.103
  165    HA   GLU  17           HA       GLU  17  -5.176   1.217 -11.597
  166   1HB   GLU  17          1HB       GLU  17  -3.771   1.369 -13.846
  167   2HB   GLU  17          2HB       GLU  17  -3.514  -0.353 -13.591
  168   1HG   GLU  17          1HG       GLU  17  -5.372  -0.273 -14.993
  169   2HG   GLU  17          2HG       GLU  17  -6.127  -0.491 -13.413
  170    QB   GLU  17           QB       GLU  17  -3.643   0.508 -13.719
  171    QG   GLU  17           QG       GLU  17  -5.750  -0.382 -14.203
  172    H    GLU  18           H        GLU  18  -2.326  -0.507 -10.632
  173    HA   GLU  18           HA       GLU  18  -3.733  -3.068 -10.111
  174   1HB   GLU  18          1HB       GLU  18  -1.018  -2.178 -10.614
  175   2HB   GLU  18          2HB       GLU  18  -1.055  -2.762  -8.996
  176   1HG   GLU  18          1HG       GLU  18  -2.154  -4.390 -11.323
  177   2HG   GLU  18          2HG       GLU  18  -0.463  -4.404 -10.850
  178    QB   GLU  18           QB       GLU  18  -1.037  -2.470  -9.805
  179    QG   GLU  18           QG       GLU  18  -1.309  -4.397 -11.087
  180    H    ILE  19           H        ILE  19  -2.340  -0.145  -8.603
  181    HA   ILE  19           HA       ILE  19  -2.505  -0.845  -5.891
  182    HB   ILE  19           HB       ILE  19  -2.361   1.687  -7.449
  183   1HG1  ILE  19          1HG1      ILE  19  -0.562   0.556  -5.278
  184   2HG1  ILE  19          2HG1      ILE  19  -0.447   0.026  -6.951
  185   1HG2  ILE  19          2HG2      ILE  19  -3.811   2.372  -5.531
  186   2HG2  ILE  19          3HG2      ILE  19  -2.623   1.707  -4.419
  187   3HG2  ILE  19          1HG2      ILE  19  -2.230   3.076  -5.502
  188   1HD1  ILE  19          3HD1      ILE  19   0.056   2.310  -7.692
  189   2HD1  ILE  19          1HD1      ILE  19  -0.016   2.879  -6.010
  190   3HD1  ILE  19          2HD1      ILE  19   1.222   1.701  -6.519
  191    QG1  ILE  19           QG1      ILE  19  -0.504   0.291  -6.115
  192    QG2  ILE  19           QG2      ILE  19  -2.888   2.385  -5.151
  193    QD1  ILE  19           QD1      ILE  19   0.420   2.297  -6.740
  194    H    LYS  20           H        LYS  20  -4.865   1.168  -7.754
  195    HA   LYS  20           HA       LYS  20  -6.656   1.160  -5.495
  196   1HB   LYS  20          1HB       LYS  20  -7.195   1.889  -8.395
  197   2HB   LYS  20          2HB       LYS  20  -8.385   1.998  -7.096
  198   1HG   LYS  20          1HG       LYS  20  -7.623   4.135  -7.144
  199   2HG   LYS  20          2HG       LYS  20  -6.667   3.473  -5.827
  200   1HD   LYS  20          1HD       LYS  20  -4.717   3.247  -7.344
  201   2HD   LYS  20          2HD       LYS  20  -5.685   3.768  -8.709
  202   1HE   LYS  20          1HE       LYS  20  -4.845   5.437  -6.297
  203   2HE   LYS  20          2HE       LYS  20  -4.255   5.565  -7.966
  204   1HZ   LYS  20          2HZ       LYS  20  -6.615   6.071  -8.568
  205   2HZ   LYS  20          3HZ       LYS  20  -6.916   6.273  -6.957
  206   3HZ   LYS  20          1HZ       LYS  20  -5.837   7.245  -7.729
  207    QB   LYS  20           QB       LYS  20  -7.790   1.943  -7.745
  208    QG   LYS  20           QG       LYS  20  -7.145   3.804  -6.486
  209    QD   LYS  20           QD       LYS  20  -5.201   3.508  -8.026
  210    QE   LYS  20           QE       LYS  20  -4.550   5.501  -7.132
  211    QZ   LYS  20           QZ       LYS  20  -6.456   6.530  -7.751
  212    H    ARG  21           H        ARG  21  -6.205  -1.184  -8.034
  213    HA   ARG  21           HA       ARG  21  -8.684  -2.634  -7.593
  214   1HB   ARG  21          1HB       ARG  21  -7.191  -2.637  -9.629
  215   2HB   ARG  21          2HB       ARG  21  -6.004  -3.562  -8.763
  216   1HG   ARG  21          1HG       ARG  21  -8.866  -4.530  -9.192
  217   2HG   ARG  21          2HG       ARG  21  -7.559  -4.791 -10.341
  218   1HD   ARG  21          1HD       ARG  21  -6.240  -5.870  -8.447
  219   2HD   ARG  21          2HD       ARG  21  -7.750  -5.914  -7.524
  220    HE   ARG  21           HE       ARG  21  -6.999  -7.362  -9.977
  221   1HH1  ARG  21          2HH2      ARG  21  -9.712  -6.678  -7.755
  222   2HH1  ARG  21          1HH2      ARG  21 -10.786  -7.761  -8.541
  223   1HH2  ARG  21          2HH1      ARG  21  -8.350  -9.003 -10.831
  224   2HH2  ARG  21          1HH1      ARG  21 -10.002  -9.125 -10.308
  225    QB   ARG  21           QB       ARG  21  -6.598  -3.100  -9.196
  226    QG   ARG  21           QG       ARG  21  -8.212  -4.661  -9.766
  227    QD   ARG  21           QD       ARG  21  -6.995  -5.892  -7.986
  228    QH1  ARG  21           QH2      ARG  21 -10.249  -7.219  -8.148
  229    QH2  ARG  21           QH1      ARG  21  -9.176  -9.064 -10.570
  230    H    ALA  22           H        ALA  22  -5.305  -3.113  -6.634
  231    HA   ALA  22           HA       ALA  22  -5.664  -5.305  -4.917
  232   1HB   ALA  22          3HB       ALA  22  -3.479  -4.655  -5.879
  233   2HB   ALA  22          1HB       ALA  22  -3.480  -3.185  -4.895
  234   3HB   ALA  22          2HB       ALA  22  -3.388  -4.777  -4.109
  235    QB   ALA  22           QB       ALA  22  -3.449  -4.206  -4.961
  236    H    TYR  23           H        TYR  23  -5.954  -1.811  -4.211
  237    HA   TYR  23           HA       TYR  23  -5.788  -1.522  -1.618
  238   1HB   TYR  23          1HB       TYR  23  -6.975  -0.280  -3.855
  239   2HB   TYR  23          2HB       TYR  23  -8.353  -0.511  -2.857
  240    HD1  TYR  23          2HD       TYR  23  -4.887   0.912  -2.851
  241    HD2  TYR  23          1HD       TYR  23  -8.972   1.249  -1.473
  242    HE1  TYR  23          2HE       TYR  23  -4.395   3.173  -1.970
  243    HE2  TYR  23          1HE       TYR  23  -8.500   3.553  -0.695
  244    HH   TYR  23           HH       TYR  23  -5.273   4.863  -0.478
  245    QB   TYR  23           QB       TYR  23  -7.664  -0.395  -3.356
  246    QG   TYR  23           QD       TYR  23  -6.930   1.080  -2.162
  247    QZ   TYR  23           QE       TYR  23  -6.447   3.363  -1.333
  248    QR   TYR  23           QR       TYR  23  -6.688   2.222  -1.747
  249    H    ARG  24           H        ARG  24  -8.907  -2.568  -3.041
  250    HA   ARG  24           HA       ARG  24 -10.019  -3.190  -0.441
  251   1HB   ARG  24          1HB       ARG  24 -11.006  -4.161  -3.158
  252   2HB   ARG  24          2HB       ARG  24 -11.930  -4.070  -1.658
  253   1HG   ARG  24          1HG       ARG  24 -10.940  -1.751  -3.360
  254   2HG   ARG  24          2HG       ARG  24 -12.589  -2.309  -3.145
  255   1HD   ARG  24          1HD       ARG  24 -11.774  -1.777  -0.523
  256   2HD   ARG  24          2HD       ARG  24 -10.969  -0.506  -1.441
  257    HE   ARG  24           HE       ARG  24 -13.801  -0.933  -0.923
  258   1HH1  ARG  24          2HH2      ARG  24 -11.617   0.862  -3.140
  259   2HH1  ARG  24          1HH2      ARG  24 -12.663   2.239  -3.212
  260   1HH2  ARG  24          2HH1      ARG  24 -15.189   0.846  -1.168
  261   2HH2  ARG  24          1HH1      ARG  24 -14.767   2.185  -2.180
  262    QB   ARG  24           QB       ARG  24 -11.468  -4.116  -2.408
  263    QG   ARG  24           QG       ARG  24 -11.764  -2.030  -3.253
  264    QD   ARG  24           QD       ARG  24 -11.371  -1.142  -0.982
  265    QH1  ARG  24           QH2      ARG  24 -12.140   1.550  -3.176
  266    QH2  ARG  24           QH1      ARG  24 -14.978   1.516  -1.674
  267    H    ARG  25           H        ARG  25  -8.350  -5.130  -2.943
  268    HA   ARG  25           HA       ARG  25  -9.162  -7.627  -1.792
  269   1HB   ARG  25          1HB       ARG  25  -7.980  -8.708  -3.368
  270   2HB   ARG  25          2HB       ARG  25  -8.102  -7.154  -4.150
  271   1HG   ARG  25          1HG       ARG  25  -5.927  -7.631  -4.574
  272   2HG   ARG  25          2HG       ARG  25  -5.703  -6.745  -3.077
  273   1HD   ARG  25          1HD       ARG  25  -5.880  -9.149  -1.982
  274   2HD   ARG  25          2HD       ARG  25  -5.479  -9.697  -3.608
  275    HE   ARG  25           HE       ARG  25  -3.743  -8.478  -1.633
  276   1HH1  ARG  25          2HH2      ARG  25  -3.999  -8.136  -5.193
  277   2HH1  ARG  25          1HH2      ARG  25  -2.315  -8.241  -5.409
  278   1HH2  ARG  25          2HH1      ARG  25  -1.579  -8.701  -1.968
  279   2HH2  ARG  25          1HH1      ARG  25  -0.877  -8.610  -3.551
  280    QB   ARG  25           QB       ARG  25  -8.041  -7.931  -3.759
  281    QG   ARG  25           QG       ARG  25  -5.815  -7.188  -3.825
  282    QD   ARG  25           QD       ARG  25  -5.679  -9.423  -2.795
  283    QH1  ARG  25           QH2      ARG  25  -3.157  -8.188  -5.301
  284    QH2  ARG  25           QH1      ARG  25  -1.228  -8.655  -2.759
  285    H    GLN  26           H        GLN  26  -6.283  -5.432  -1.084
  286    HA   GLN  26           HA       GLN  26  -5.044  -7.395   0.465
  287   1HB   GLN  26          1HB       GLN  26  -4.149  -5.295  -0.782
  288   2HB   GLN  26          2HB       GLN  26  -4.731  -4.375   0.611
  289   1HG   GLN  26          1HG       GLN  26  -2.541  -4.780   1.048
  290   2HG   GLN  26          2HG       GLN  26  -3.417  -5.927   2.070
  291   1HE2  GLN  26          2HE2      GLN  26  -0.400  -7.602   0.586
  292   2HE2  GLN  26          1HE2      GLN  26  -0.639  -6.056   1.373
  293    QB   GLN  26           QB       GLN  26  -4.440  -4.835  -0.086
  294    QG   GLN  26           QG       GLN  26  -2.979  -5.354   1.559
  295    QE2  GLN  26           QE2      GLN  26  -0.520  -6.829   0.979
  296    H    ALA  27           H        ALA  27  -7.173  -4.568   1.248
  297    HA   ALA  27           HA       ALA  27  -7.172  -4.782   4.051
  298   1HB   ALA  27          3HB       ALA  27  -9.500  -4.159   2.179
  299   2HB   ALA  27          1HB       ALA  27  -9.454  -3.853   3.930
  300   3HB   ALA  27          2HB       ALA  27  -8.334  -2.996   2.852
  301    QB   ALA  27           QB       ALA  27  -9.096  -3.669   2.987
  302    H    LEU  28           H        LEU  28  -9.391  -6.393   1.749
  303    HA   LEU  28           HA       LEU  28 -10.626  -8.126   3.560
  304   1HB   LEU  28          1HB       LEU  28 -11.323  -7.469   1.280
  305   2HB   LEU  28          2HB       LEU  28 -10.113  -8.532   0.580
  306    HG   LEU  28           HG       LEU  28 -12.065  -9.699   2.559
  307   1HD1  LEU  28          2HD1      LEU  28 -12.801  -8.961  -0.301
  308   2HD1  LEU  28          3HD1      LEU  28 -13.766 -10.007   0.765
  309   3HD1  LEU  28          1HD1      LEU  28 -13.523  -8.309   1.184
  310   1HD2  LEU  28          2HD2      LEU  28 -10.901 -10.711  -0.082
  311   2HD2  LEU  28          3HD2      LEU  28 -10.383 -11.199   1.546
  312   3HD2  LEU  28          1HD2      LEU  28 -11.989 -11.632   0.963
  313    QB   LEU  28           QB       LEU  28 -10.718  -8.001   0.930
  314    QD1  LEU  28           QD1      LEU  28 -13.363  -9.092   0.549
  315    QD2  LEU  28           QD2      LEU  28 -11.091 -11.180   0.809
  316    QQD  LEU  28           QQD      LEU  28 -12.227 -10.136   0.679
  317    H    ARG  29           H        ARG  29  -7.499  -8.565   1.883
  318    HA   ARG  29           HA       ARG  29  -7.135 -11.317   2.477
  319   1HB   ARG  29          1HB       ARG  29  -5.909  -9.815   0.753
  320   2HB   ARG  29          2HB       ARG  29  -4.926  -9.248   2.108
  321   1HG   ARG  29          1HG       ARG  29  -4.167 -11.584   2.493
  322   2HG   ARG  29          2HG       ARG  29  -5.221 -12.108   1.166
  323   1HD   ARG  29          1HD       ARG  29  -3.868 -10.823  -0.438
  324   2HD   ARG  29          2HD       ARG  29  -2.997 -10.044   0.884
  325    HE   ARG  29           HE       ARG  29  -1.571 -11.727   0.984
  326   1HH1  ARG  29          2HH2      ARG  29  -4.457 -13.060  -0.615
  327   2HH1  ARG  29          1HH2      ARG  29  -3.813 -14.660  -0.758
  328   1HH2  ARG  29          2HH1      ARG  29  -0.737 -13.827   0.832
  329   2HH2  ARG  29          1HH1      ARG  29  -1.557 -15.066  -0.074
  330    QB   ARG  29           QB       ARG  29  -5.418  -9.532   1.430
  331    QG   ARG  29           QG       ARG  29  -4.694 -11.846   1.829
  332    QD   ARG  29           QD       ARG  29  -3.433 -10.434   0.223
  333    QH1  ARG  29           QH2      ARG  29  -4.135 -13.860  -0.687
  334    QH2  ARG  29           QH1      ARG  29  -1.147 -14.446   0.379
  335    H    TYR  30           H        TYR  30  -6.828  -8.539   4.602
  336    HA   TYR  30           HA       TYR  30  -5.375 -10.290   6.575
  337   1HB   TYR  30          1HB       TYR  30  -5.460  -7.303   6.240
  338   2HB   TYR  30          2HB       TYR  30  -4.880  -8.067   7.691
  339    HD1  TYR  30          2HD       TYR  30  -2.787  -9.400   7.735
  340    HD2  TYR  30          1HD       TYR  30  -3.987  -7.210   4.234
  341    HE1  TYR  30          2HE       TYR  30  -0.418  -9.215   7.031
  342    HE2  TYR  30          1HE       TYR  30  -1.622  -6.921   3.579
  343    HH   TYR  30           HH       TYR  30   0.609  -7.423   4.080
  344    QB   TYR  30           QB       TYR  30  -5.170  -7.685   6.966
  345    QG   TYR  30           QD       TYR  30  -3.387  -8.305   5.984
  346    QZ   TYR  30           QE       TYR  30  -1.020  -8.068   5.305
  347    QR   TYR  30           QR       TYR  30  -2.204  -8.187   5.645
  348    H    HIS  31           H        HIS  31  -8.136  -8.200   6.030
  349    HA   HIS  31           HA       HIS  31  -9.052  -7.397   8.362
  350   1HB   HIS  31          1HB       HIS  31  -9.991  -6.939   6.199
  351   2HB   HIS  31          2HB       HIS  31 -10.534  -8.602   6.007
  352    HD1  HIS  31          1HD       HIS  31 -11.501  -6.340   9.108
  353    HD2  HIS  31          2HD       HIS  31 -12.862  -7.760   5.369
  354    HE1  HIS  31          1HE       HIS  31 -13.949  -5.752   8.935
  355    QB   HIS  31           QB       HIS  31 -10.262  -7.770   6.103
  356    HA   PRO  32           HA       PRO  32  -9.636 -11.199  10.740
  357   1HB   PRO  32          1HB       PRO  32 -10.735 -10.146  13.039
  358   2HB   PRO  32          2HB       PRO  32  -9.003 -10.041  12.601
  359   1HG   PRO  32          1HG       PRO  32 -11.153  -7.944  12.166
  360   2HG   PRO  32          2HG       PRO  32  -9.503  -7.731  12.841
  361   1HD   PRO  32          1HD       PRO  32 -10.109  -7.204  10.261
  362   2HD   PRO  32          2HD       PRO  32  -8.524  -7.909  10.719
  363    QB   PRO  32           QB       PRO  32  -9.869 -10.093  12.820
  364    QG   PRO  32           QG       PRO  32 -10.328  -7.837  12.503
  365    QD   PRO  32           QD       PRO  32  -9.317  -7.557  10.490
  366    H    ASP  33           H        ASP  33 -12.152  -9.315   9.417
  367    HA   ASP  33           HA       ASP  33 -14.400 -10.853  10.413
  368   1HB   ASP  33          1HB       ASP  33 -14.594  -8.528   9.587
  369   2HB   ASP  33          2HB       ASP  33 -14.059  -9.074   7.996
  370    QB   ASP  33           QB       ASP  33 -14.326  -8.801   8.792
  371    H    LYS  34           H        LYS  34 -12.465 -10.649   7.435
  372    HA   LYS  34           HA       LYS  34 -13.891 -13.020   6.320
  373   1HB   LYS  34          1HB       LYS  34 -14.739 -11.025   5.367
  374   2HB   LYS  34          2HB       LYS  34 -13.139 -10.326   5.183
  375   1HG   LYS  34          1HG       LYS  34 -14.005 -10.907   3.026
  376   2HG   LYS  34          2HG       LYS  34 -12.582 -11.887   3.401
  377   1HD   LYS  34          1HD       LYS  34 -14.304 -13.709   4.137
  378   2HD   LYS  34          2HD       LYS  34 -15.515 -12.718   3.316
  379   1HE   LYS  34          1HE       LYS  34 -14.418 -12.957   1.195
  380   2HE   LYS  34          2HE       LYS  34 -12.898 -13.455   1.959
  381   1HZ   LYS  34          2HZ       LYS  34 -13.941 -15.498   2.642
  382   2HZ   LYS  34          3HZ       LYS  34 -15.323 -15.117   1.815
  383   3HZ   LYS  34          1HZ       LYS  34 -13.873 -15.340   1.025
  384    QB   LYS  34           QB       LYS  34 -13.939 -10.675   5.275
  385    QG   LYS  34           QG       LYS  34 -13.294 -11.397   3.214
  386    QD   LYS  34           QD       LYS  34 -14.909 -13.213   3.726
  387    QE   LYS  34           QE       LYS  34 -13.658 -13.206   1.577
  388    QZ   LYS  34           QZ       LYS  34 -14.379 -15.318   1.827
  389    H    ASN  35           H        ASN  35 -10.657 -11.632   6.820
  390    HA   ASN  35           HA       ASN  35  -9.487 -13.931   5.385
  391   1HB   ASN  35          1HB       ASN  35  -8.180 -11.746   5.605
  392   2HB   ASN  35          2HB       ASN  35  -8.037 -12.124   7.334
  393   1HD2  ASN  35          2HD2      ASN  35  -5.101 -13.962   6.530
  394   2HD2  ASN  35          1HD2      ASN  35  -5.661 -12.477   7.199
  395    QB   ASN  35           QB       ASN  35  -8.108 -11.935   6.470
  396    QD2  ASN  35           QD2      ASN  35  -5.381 -13.219   6.865
  397    H    LYS  36           H        LYS  36 -10.378 -12.798   8.594
  398    HA   LYS  36           HA       LYS  36 -10.395 -13.723  10.622
  399   1HB   LYS  36          1HB       LYS  36 -11.477 -15.810   8.873
  400   2HB   LYS  36          2HB       LYS  36 -10.725 -16.537  10.274
  401   1HG   LYS  36          1HG       LYS  36 -12.678 -14.232  10.405
  402   2HG   LYS  36          2HG       LYS  36 -13.169 -15.919  10.539
  403   1HD   LYS  36          1HD       LYS  36 -11.070 -14.745  12.425
  404   2HD   LYS  36          2HD       LYS  36 -12.781 -14.572  12.757
  405   1HE   LYS  36          1HE       LYS  36 -11.865 -17.330  12.025
  406   2HE   LYS  36          2HE       LYS  36 -11.242 -16.701  13.544
  407   1HZ   LYS  36          3HZ       LYS  36 -14.120 -16.723  12.885
  408   2HZ   LYS  36          1HZ       LYS  36 -13.359 -17.889  13.796
  409   3HZ   LYS  36          2HZ       LYS  36 -13.423 -16.353  14.332
  410    QB   LYS  36           QB       LYS  36 -11.101 -16.173   9.573
  411    QG   LYS  36           QG       LYS  36 -12.923 -15.076  10.472
  412    QD   LYS  36           QD       LYS  36 -11.925 -14.659  12.591
  413    QE   LYS  36           QE       LYS  36 -11.553 -17.016  12.785
  414    QZ   LYS  36           QZ       LYS  36 -13.634 -16.989  13.671
  415    H    GLU  37           H        GLU  37  -8.097 -12.958   9.957
  416    HA   GLU  37           HA       GLU  37  -5.916 -14.762  10.455
  417   1HB   GLU  37          1HB       GLU  37  -6.288 -12.258   9.348
  418   2HB   GLU  37          2HB       GLU  37  -5.477 -11.934  10.877
  419   1HG   GLU  37          1HG       GLU  37  -3.839 -13.852  10.203
  420   2HG   GLU  37          2HG       GLU  37  -4.703 -13.991   8.738
  421    QB   GLU  37           QB       GLU  37  -5.883 -12.096  10.112
  422    QG   GLU  37           QG       GLU  37  -4.271 -13.922   9.470
  423    HA   PRO  38           HA       PRO  38  -6.187 -13.821  15.071
  424   1HB   PRO  38          1HB       PRO  38  -3.948 -12.683  15.950
  425   2HB   PRO  38          2HB       PRO  38  -3.980 -14.377  15.402
  426   1HG   PRO  38          1HG       PRO  38  -3.034 -11.946  13.879
  427   2HG   PRO  38          2HG       PRO  38  -2.258 -13.548  14.021
  428   1HD   PRO  38          1HD       PRO  38  -3.854 -12.710  11.964
  429   2HD   PRO  38          2HD       PRO  38  -3.640 -14.448  12.343
  430    QB   PRO  38           QB       PRO  38  -3.964 -13.530  15.676
  431    QG   PRO  38           QG       PRO  38  -2.646 -12.747  13.950
  432    QD   PRO  38           QD       PRO  38  -3.747 -13.579  12.154
  433    H    GLY  39           H        GLY  39  -5.149 -11.240  16.141
  434   1HA   GLY  39          1HA       GLY  39  -6.999  -9.263  15.369
  435   2HA   GLY  39          2HA       GLY  39  -5.364  -8.931  15.973
  436    QA   GLY  39           QA       GLY  39  -6.182  -9.097  15.671
  437    H    ALA  40           H        ALA  40  -3.740  -9.890  13.979
  438    HA   ALA  40           HA       ALA  40  -2.653  -9.058  12.063
  439   1HB   ALA  40          2HB       ALA  40  -5.434  -9.254  10.921
  440   2HB   ALA  40          3HB       ALA  40  -3.977  -8.788  10.011
  441   3HB   ALA  40          1HB       ALA  40  -4.053 -10.360  10.783
  442    QB   ALA  40           QB       ALA  40  -4.488  -9.467  10.572
  443    H    GLU  41           H        GLU  41  -3.472  -7.416  14.345
  444    HA   GLU  41           HA       GLU  41  -4.982  -5.171  13.559
  445   1HB   GLU  41          1HB       GLU  41  -4.660  -6.130  15.870
  446   2HB   GLU  41          2HB       GLU  41  -3.018  -5.519  15.859
  447   1HG   GLU  41          1HG       GLU  41  -4.056  -3.932  17.115
  448   2HG   GLU  41          2HG       GLU  41  -4.086  -3.157  15.543
  449    QB   GLU  41           QB       GLU  41  -3.839  -5.825  15.865
  450    QG   GLU  41           QG       GLU  41  -4.071  -3.544  16.329
  451    H    GLU  42           H        GLU  42  -1.465  -5.504  14.044
  452    HA   GLU  42           HA       GLU  42  -0.971  -2.799  12.992
  453   1HB   GLU  42          1HB       GLU  42   0.520  -3.898  14.707
  454   2HB   GLU  42          2HB       GLU  42   1.058  -5.035  13.456
  455   1HG   GLU  42          1HG       GLU  42   2.668  -3.207  13.698
  456   2HG   GLU  42          2HG       GLU  42   1.932  -3.126  12.110
  457    QB   GLU  42           QB       GLU  42   0.789  -4.466  14.082
  458    QG   GLU  42           QG       GLU  42   2.300  -3.166  12.904
  459    H    LYS  43           H        LYS  43  -0.999  -6.124  11.853
  460    HA   LYS  43           HA       LYS  43   0.263  -5.826   9.389
  461   1HB   LYS  43          1HB       LYS  43  -1.375  -7.801  10.849
  462   2HB   LYS  43          2HB       LYS  43  -1.709  -7.844   9.167
  463   1HG   LYS  43          1HG       LYS  43   0.063  -9.323   9.261
  464   2HG   LYS  43          2HG       LYS  43   0.956  -7.849   8.917
  465   1HD   LYS  43          1HD       LYS  43   2.157  -8.792  10.726
  466   2HD   LYS  43          2HD       LYS  43   1.126  -7.618  11.531
  467   1HE   LYS  43          1HE       LYS  43   0.935  -9.597  12.825
  468   2HE   LYS  43          2HE       LYS  43  -0.556  -9.570  11.863
  469   1HZ   LYS  43          2HZ       LYS  43   0.663 -11.099  10.291
  470   2HZ   LYS  43          3HZ       LYS  43   1.886 -11.151  11.384
  471   3HZ   LYS  43          1HZ       LYS  43   0.408 -11.747  11.780
  472    QB   LYS  43           QB       LYS  43  -1.542  -7.822  10.008
  473    QG   LYS  43           QG       LYS  43   0.510  -8.586   9.089
  474    QD   LYS  43           QD       LYS  43   1.641  -8.205  11.128
  475    QE   LYS  43           QE       LYS  43   0.190  -9.584  12.344
  476    QZ   LYS  43           QZ       LYS  43   0.985 -11.332  11.151
  477    H    PHE  44           H        PHE  44  -3.054  -5.124  10.392
  478    HA   PHE  44           HA       PHE  44  -3.979  -4.569   7.706
  479   1HB   PHE  44          1HB       PHE  44  -5.364  -5.546   9.536
  480   2HB   PHE  44          2HB       PHE  44  -5.218  -4.044  10.431
  481    HD1  PHE  44          1HD       PHE  44  -6.674  -5.711   7.484
  482    HD2  PHE  44          2HD       PHE  44  -6.560  -2.068   9.792
  483    HE1  PHE  44          1HE       PHE  44  -8.792  -4.977   6.424
  484    HE2  PHE  44          2HE       PHE  44  -8.686  -1.348   8.717
  485   1HZ   PHE  44           HZ       PHE  44  -9.824  -2.813   7.079
  486    QB   PHE  44           QB       PHE  44  -5.291  -4.795   9.984
  487    QG   PHE  44           QD       PHE  44  -6.617  -3.889   8.638
  488    QZ   PHE  44           QE       PHE  44  -8.739  -3.163   7.570
  489    QZ   PHE  44           QR       PHE  44  -8.107  -3.383   7.899
  490    H    LYS  45           H        LYS  45  -3.086  -2.629  10.649
  491    HA   LYS  45           HA       LYS  45  -3.311  -0.099   9.327
  492   1HB   LYS  45          1HB       LYS  45  -1.574  -0.960  11.658
  493   2HB   LYS  45          2HB       LYS  45  -1.654   0.695  11.030
  494   1HG   LYS  45          1HG       LYS  45  -4.223   0.498  11.328
  495   2HG   LYS  45          2HG       LYS  45  -3.867  -0.887  12.360
  496   1HD   LYS  45          1HD       LYS  45  -2.921   1.995  12.728
  497   2HD   LYS  45          2HD       LYS  45  -4.147   1.156  13.654
  498   1HE   LYS  45          1HE       LYS  45  -2.359   1.012  15.089
  499   2HE   LYS  45          2HE       LYS  45  -2.227  -0.543  14.269
  500   1HZ   LYS  45          2HZ       LYS  45  -0.754   1.810  13.267
  501   2HZ   LYS  45          3HZ       LYS  45  -0.178   0.980  14.553
  502   3HZ   LYS  45          1HZ       LYS  45  -0.331   0.220  13.136
  503    QB   LYS  45           QB       LYS  45  -1.614  -0.133  11.344
  504    QG   LYS  45           QG       LYS  45  -4.045  -0.195  11.844
  505    QD   LYS  45           QD       LYS  45  -3.534   1.576  13.191
  506    QE   LYS  45           QE       LYS  45  -2.293   0.235  14.679
  507    QZ   LYS  45           QZ       LYS  45  -0.421   1.003  13.652
  508    H    GLU  46           H        GLU  46  -0.889  -2.605   8.933
  509    HA   GLU  46           HA       GLU  46   1.159  -1.089   7.779
  510   1HB   GLU  46          1HB       GLU  46   0.511  -3.741   8.340
  511   2HB   GLU  46          2HB       GLU  46   0.780  -3.762   6.615
  512   1HG   GLU  46          1HG       GLU  46   2.675  -2.738   8.770
  513   2HG   GLU  46          2HG       GLU  46   2.695  -4.355   8.078
  514    QB   GLU  46           QB       GLU  46   0.646  -3.752   7.477
  515    QG   GLU  46           QG       GLU  46   2.685  -3.547   8.424
  516    H    ILE  47           H        ILE  47  -1.799  -2.733   6.425
  517    HA   ILE  47           HA       ILE  47  -1.490  -2.155   3.706
  518    HB   ILE  47           HB       ILE  47  -4.022  -2.174   5.226
  519   1HG1  ILE  47          1HG1      ILE  47  -2.646  -4.592   3.997
  520   2HG1  ILE  47          2HG1      ILE  47  -2.653  -4.212   5.728
  521   1HG2  ILE  47          1HG2      ILE  47  -4.127  -1.367   2.840
  522   2HG2  ILE  47          2HG2      ILE  47  -3.377  -2.879   2.315
  523   3HG2  ILE  47          3HG2      ILE  47  -5.001  -2.872   3.035
  524   1HD1  ILE  47          3HD1      ILE  47  -5.226  -3.944   5.453
  525   2HD1  ILE  47          1HD1      ILE  47  -4.937  -4.951   4.003
  526   3HD1  ILE  47          2HD1      ILE  47  -4.460  -5.516   5.636
  527    QG1  ILE  47           QG1      ILE  47  -2.649  -4.402   4.863
  528    QG2  ILE  47           QG2      ILE  47  -4.168  -2.373   2.730
  529    QD1  ILE  47           QD1      ILE  47  -4.875  -4.804   5.031
  530    H    ALA  48           H        ALA  48  -3.074  -0.468   6.459
  531    HA   ALA  48           HA       ALA  48  -4.156   1.688   5.069
  532   1HB   ALA  48          3HB       ALA  48  -4.779   1.014   7.382
  533   2HB   ALA  48          1HB       ALA  48  -3.223   1.660   7.968
  534   3HB   ALA  48          2HB       ALA  48  -4.417   2.744   7.271
  535    QB   ALA  48           QB       ALA  48  -4.140   1.806   7.540
  536    H    GLU  49           H        GLU  49  -0.912   1.259   6.325
  537    HA   GLU  49           HA       GLU  49  -0.052   4.001   6.097
  538   1HB   GLU  49          1HB       GLU  49   0.996   1.774   7.313
  539   2HB   GLU  49          2HB       GLU  49   1.896   1.710   5.807
  540   1HG   GLU  49          1HG       GLU  49   3.251   2.923   7.277
  541   2HG   GLU  49          2HG       GLU  49   2.517   4.175   6.266
  542    QB   GLU  49           QB       GLU  49   1.446   1.742   6.560
  543    QG   GLU  49           QG       GLU  49   2.884   3.549   6.771
  544    H    ALA  50           H        ALA  50   0.108   1.127   3.991
  545    HA   ALA  50           HA       ALA  50   1.395   2.606   1.845
  546   1HB   ALA  50          3HB       ALA  50   1.728   0.177   2.209
  547   2HB   ALA  50          1HB       ALA  50   0.018  -0.111   1.804
  548   3HB   ALA  50          2HB       ALA  50   1.140   0.546   0.581
  549    QB   ALA  50           QB       ALA  50   0.962   0.204   1.531
  550    H    TYR  51           H        TYR  51  -1.902   1.826   2.744
  551    HA   TYR  51           HA       TYR  51  -3.341   2.296   0.360
  552   1HB   TYR  51          1HB       TYR  51  -3.962   1.247   2.659
  553   2HB   TYR  51          2HB       TYR  51  -4.246   2.876   3.205
  554    HD1  TYR  51          2HD       TYR  51  -6.305   4.073   2.453
  555    HD2  TYR  51          1HD       TYR  51  -5.463  -0.028   1.385
  556    HE1  TYR  51          2HE       TYR  51  -8.714   3.637   2.217
  557    HE2  TYR  51          1HE       TYR  51  -7.865  -0.472   1.121
  558    HH   TYR  51           HH       TYR  51 -10.374   2.028   1.768
  559    QB   TYR  51           QB       TYR  51  -4.104   2.061   2.932
  560    QG   TYR  51           QD       TYR  51  -5.884   2.022   1.919
  561    QZ   TYR  51           QE       TYR  51  -8.289   1.583   1.669
  562    QR   TYR  51           QR       TYR  51  -7.087   1.802   1.794
  563    H    ASP  52           H        ASP  52  -2.325   4.432   3.024
  564    HA   ASP  52           HA       ASP  52  -3.469   6.906   2.239
  565   1HB   ASP  52          1HB       ASP  52  -2.585   6.582   4.444
  566   2HB   ASP  52          2HB       ASP  52  -1.030   6.060   3.838
  567    QB   ASP  52           QB       ASP  52  -1.807   6.321   4.141
  568    H    VAL  53           H        VAL  53  -0.062   5.774   1.836
  569    HA   VAL  53           HA       VAL  53   0.614   7.925   0.147
  570    HB   VAL  53           HB       VAL  53   1.896   5.295   0.933
  571   1HG1  VAL  53          3HG1      VAL  53   2.998   7.088  -1.278
  572   2HG1  VAL  53          1HG1      VAL  53   3.940   5.884  -0.401
  573   3HG1  VAL  53          2HG1      VAL  53   2.614   5.352  -1.420
  574   1HG2  VAL  53          3HG2      VAL  53   1.901   7.413   2.247
  575   2HG2  VAL  53          1HG2      VAL  53   3.548   6.936   1.762
  576   3HG2  VAL  53          2HG2      VAL  53   2.677   8.220   0.883
  577    QG1  VAL  53           QG1      VAL  53   3.184   6.108  -1.033
  578    QG2  VAL  53           QG2      VAL  53   2.709   7.523   1.630
  579    QQG  VAL  53           QQG      VAL  53   2.946   6.816   0.299
  580    H    LEU  54           H        LEU  54  -0.391   4.586  -0.781
  581    HA   LEU  54           HA       LEU  54  -0.001   5.125  -3.576
  582   1HB   LEU  54          1HB       LEU  54  -1.350   2.867  -2.111
  583   2HB   LEU  54          2HB       LEU  54  -0.875   2.914  -3.798
  584    HG   LEU  54           HG       LEU  54   1.174   3.176  -1.580
  585   1HD1  LEU  54          2HD1      LEU  54   0.050   1.058  -1.435
  586   2HD1  LEU  54          3HD1      LEU  54   0.357   0.716  -3.154
  587   3HD1  LEU  54          1HD1      LEU  54   1.708   0.841  -2.004
  588   1HD2  LEU  54          2HD2      LEU  54   1.800   4.055  -3.909
  589   2HD2  LEU  54          3HD2      LEU  54   2.836   2.852  -3.190
  590   3HD2  LEU  54          1HD2      LEU  54   1.705   2.351  -4.433
  591    QB   LEU  54           QB       LEU  54  -1.112   2.891  -2.954
  592    QD1  LEU  54           QD1      LEU  54   0.705   0.871  -2.198
  593    QD2  LEU  54           QD2      LEU  54   2.114   3.086  -3.844
  594    QQD  LEU  54           QQD      LEU  54   1.409   1.979  -3.021
  595    H    SER  55           H        SER  55  -1.709   6.986  -1.985
  596    HA   SER  55           HA       SER  55  -3.615   7.275  -4.114
  597   1HB   SER  55          1HB       SER  55  -5.567   7.340  -2.857
  598   2HB   SER  55          2HB       SER  55  -4.709   5.950  -2.265
  599    HG   SER  55           HG       SER  55  -3.880   7.318  -0.535
  600    QB   SER  55           QB       SER  55  -5.138   6.645  -2.561
  601    H    ASP  56           H        ASP  56  -1.800   8.679  -1.299
  602    HA   ASP  56           HA       ASP  56  -2.575  11.386  -1.980
  603   1HB   ASP  56          1HB       ASP  56  -2.060  10.932   0.320
  604   2HB   ASP  56          2HB       ASP  56  -0.435  10.341  -0.097
  605    QB   ASP  56           QB       ASP  56  -1.247  10.636   0.112
  606    HA   PRO  57           HA       PRO  57   0.624  11.241  -5.145
  607   1HB   PRO  57          1HB       PRO  57  -0.091  13.391  -6.696
  608   2HB   PRO  57          2HB       PRO  57  -1.116  11.932  -6.573
  609   1HG   PRO  57          1HG       PRO  57  -1.328  14.495  -4.950
  610   2HG   PRO  57          2HG       PRO  57  -2.610  13.703  -5.927
  611   1HD   PRO  57          1HD       PRO  57  -2.351  13.266  -3.248
  612   2HD   PRO  57          2HD       PRO  57  -2.831  11.958  -4.361
  613    QB   PRO  57           QB       PRO  57  -0.603  12.661  -6.635
  614    QG   PRO  57           QG       PRO  57  -1.969  14.099  -5.438
  615    QD   PRO  57           QD       PRO  57  -2.591  12.612  -3.804
  616    H    ARG  58           H        ARG  58   1.037  12.912  -2.449
  617    HA   ARG  58           HA       ARG  58   3.292  14.527  -3.625
  618   1HB   ARG  58          1HB       ARG  58   1.905  15.111  -0.985
  619   2HB   ARG  58          2HB       ARG  58   3.281  15.941  -1.688
  620   1HG   ARG  58          1HG       ARG  58   1.712  17.399  -2.465
  621   2HG   ARG  58          2HG       ARG  58   1.610  16.240  -3.775
  622   1HD   ARG  58          1HD       ARG  58  -0.599  16.399  -3.303
  623   2HD   ARG  58          2HD       ARG  58  -0.248  15.116  -2.149
  624    HE   ARG  58           HE       ARG  58  -0.735  17.994  -1.677
  625   1HH1  ARG  58          2HH2      ARG  58  -0.234  14.820  -0.118
  626   2HH1  ARG  58          1HH2      ARG  58  -0.049  15.462   1.461
  627   1HH2  ARG  58          2HH1      ARG  58  -1.071  18.742   0.449
  628   2HH2  ARG  58          1HH1      ARG  58  -0.839  17.703   1.806
  629    QB   ARG  58           QB       ARG  58   2.593  15.526  -1.336
  630    QG   ARG  58           QG       ARG  58   1.661  16.819  -3.120
  631    QD   ARG  58           QD       ARG  58  -0.424  15.758  -2.726
  632    QH1  ARG  58           QH2      ARG  58  -0.141  15.141   0.672
  633    QH2  ARG  58           QH1      ARG  58  -0.955  18.222   1.127
  634    H    LYS  59           H        LYS  59   2.313  12.482  -0.789
  635    HA   LYS  59           HA       LYS  59   5.141  12.158  -0.136
  636   1HB   LYS  59          1HB       LYS  59   3.349  11.848   1.515
  637   2HB   LYS  59          2HB       LYS  59   2.728  10.450   0.643
  638   1HG   LYS  59          1HG       LYS  59   4.750   9.163   1.068
  639   2HG   LYS  59          2HG       LYS  59   5.622  10.578   1.633
  640   1HD   LYS  59          1HD       LYS  59   3.177   9.461   3.074
  641   2HD   LYS  59          2HD       LYS  59   4.852   9.007   3.461
  642   1HE   LYS  59          1HE       LYS  59   5.431  11.363   3.856
  643   2HE   LYS  59          2HE       LYS  59   3.798  11.854   3.397
  644   1HZ   LYS  59          3HZ       LYS  59   4.378  10.142   5.726
  645   2HZ   LYS  59          1HZ       LYS  59   4.110  11.757   5.802
  646   3HZ   LYS  59          2HZ       LYS  59   2.908  10.752   5.266
  647    QB   LYS  59           QB       LYS  59   3.039  11.149   1.079
  648    QG   LYS  59           QG       LYS  59   5.186   9.871   1.350
  649    QD   LYS  59           QD       LYS  59   4.014   9.234   3.267
  650    QE   LYS  59           QE       LYS  59   4.615  11.608   3.627
  651    QZ   LYS  59           QZ       LYS  59   3.799  10.883   5.598
  652    H    ARG  60           H        ARG  60   2.685  10.113  -1.942
  653    HA   ARG  60           HA       ARG  60   4.378   8.147  -2.778
  654   1HB   ARG  60          1HB       ARG  60   1.818   8.764  -3.200
  655   2HB   ARG  60          2HB       ARG  60   2.426   9.475  -4.701
  656   1HG   ARG  60          1HG       ARG  60   3.594   7.271  -5.133
  657   2HG   ARG  60          2HG       ARG  60   2.850   6.705  -3.603
  658   1HD   ARG  60          1HD       ARG  60   0.718   6.671  -4.506
  659   2HD   ARG  60          2HD       ARG  60   1.088   7.904  -5.697
  660    HE   ARG  60           HE       ARG  60   2.391   5.235  -5.920
  661   1HH1  ARG  60          2HH2      ARG  60   0.102   7.531  -7.418
  662   2HH1  ARG  60          1HH2      ARG  60   0.444   6.992  -9.026
  663   1HH2  ARG  60          2HH1      ARG  60   2.937   4.669  -8.059
  664   2HH2  ARG  60          1HH1      ARG  60   2.103   5.344  -9.382
  665    QB   ARG  60           QB       ARG  60   2.122   9.120  -3.951
  666    QG   ARG  60           QG       ARG  60   3.222   6.988  -4.368
  667    QD   ARG  60           QD       ARG  60   0.903   7.287  -5.101
  668    QH1  ARG  60           QH2      ARG  60   0.273   7.261  -8.222
  669    QH2  ARG  60           QH1      ARG  60   2.520   5.006  -8.720
  670    H    GLU  61           H        GLU  61   4.254  11.536  -4.035
  671    HA   GLU  61           HA       GLU  61   5.426  10.910  -6.520
  672   1HB   GLU  61          1HB       GLU  61   4.323  13.057  -5.851
  673   2HB   GLU  61          2HB       GLU  61   5.735  13.472  -4.890
  674   1HG   GLU  61          1HG       GLU  61   5.696  14.589  -7.115
  675   2HG   GLU  61          2HG       GLU  61   7.125  13.617  -6.823
  676    QB   GLU  61           QB       GLU  61   5.029  13.264  -5.370
  677    QG   GLU  61           QG       GLU  61   6.410  14.103  -6.969
  678    H    ILE  62           H        ILE  62   6.845  11.506  -3.351
  679    HA   ILE  62           HA       ILE  62   9.522  11.684  -4.346
  680    HB   ILE  62           HB       ILE  62   8.734  10.823  -1.518
  681   1HG1  ILE  62          1HG1      ILE  62   8.759  13.649  -2.649
  682   2HG1  ILE  62          2HG1      ILE  62   7.375  12.771  -2.009
  683   1HG2  ILE  62          1HG2      ILE  62  11.143  10.744  -2.094
  684   2HG2  ILE  62          2HG2      ILE  62  11.106  12.468  -2.517
  685   3HG2  ILE  62          3HG2      ILE  62  10.832  11.914  -0.843
  686   1HD1  ILE  62          1HD1      ILE  62   8.488  12.718   0.226
  687   2HD1  ILE  62          2HD1      ILE  62   9.740  13.806  -0.427
  688   3HD1  ILE  62          3HD1      ILE  62   8.056  14.339  -0.370
  689    QG1  ILE  62           QG1      ILE  62   8.067  13.210  -2.329
  690    QG2  ILE  62           QG2      ILE  62  11.027  11.709  -1.818
  691    QD1  ILE  62           QD1      ILE  62   8.761  13.621  -0.190
  692    H    PHE  63           H        PHE  63   7.433   8.946  -3.528
  693    HA   PHE  63           HA       PHE  63   9.666   7.019  -3.582
  694   1HB   PHE  63          1HB       PHE  63   7.840   6.693  -2.028
  695   2HB   PHE  63          2HB       PHE  63   6.657   6.640  -3.322
  696    HD1  PHE  63          2HD       PHE  63   6.785   4.727  -5.044
  697    HD2  PHE  63          1HD       PHE  63   9.067   4.759  -1.374
  698    HE1  PHE  63          2HE       PHE  63   7.049   2.270  -5.180
  699    HE2  PHE  63          1HE       PHE  63   9.358   2.306  -1.542
  700   1HZ   PHE  63           HZ       PHE  63   8.309   1.055  -3.402
  701    QB   PHE  63           QB       PHE  63   7.249   6.666  -2.675
  702    QG   PHE  63           QD       PHE  63   7.926   4.743  -3.209
  703    QZ   PHE  63           QE       PHE  63   8.203   2.288  -3.361
  704    QZ   PHE  63           QR       PHE  63   8.113   3.023  -3.308
  705    H    ASP  64           H        ASP  64   6.998   8.163  -5.714
  706    HA   ASP  64           HA       ASP  64   7.478   6.151  -7.711
  707   1HB   ASP  64          1HB       ASP  64   5.350   7.550  -7.326
  708   2HB   ASP  64          2HB       ASP  64   6.171   8.853  -8.184
  709    QB   ASP  64           QB       ASP  64   5.760   8.201  -7.755
  710    H    ARG  65           H        ARG  65   8.701   9.522  -7.227
  711    HA   ARG  65           HA       ARG  65  10.245   9.520  -9.603
  712   1HB   ARG  65          1HB       ARG  65  10.983  11.541  -8.908
  713   2HB   ARG  65          2HB       ARG  65   9.405  11.491  -8.125
  714   1HG   ARG  65          1HG       ARG  65  10.558  10.883  -6.017
  715   2HG   ARG  65          2HG       ARG  65  12.105  11.122  -6.832
  716   1HD   ARG  65          1HD       ARG  65  10.011  13.302  -6.748
  717   2HD   ARG  65          2HD       ARG  65  11.194  13.075  -5.446
  718    HE   ARG  65           HE       ARG  65  12.708  13.076  -7.753
  719   1HH1  ARG  65          2HH2      ARG  65  10.568  15.414  -6.128
  720   2HH1  ARG  65          1HH2      ARG  65  11.317  16.793  -6.894
  721   1HH2  ARG  65          2HH1      ARG  65  13.819  14.920  -8.548
  722   2HH2  ARG  65          1HH1      ARG  65  13.142  16.507  -8.266
  723    QB   ARG  65           QB       ARG  65  10.194  11.516  -8.517
  724    QG   ARG  65           QG       ARG  65  11.332  11.003  -6.425
  725    QD   ARG  65           QD       ARG  65  10.602  13.188  -6.097
  726    QH1  ARG  65           QH2      ARG  65  10.943  16.104  -6.511
  727    QH2  ARG  65           QH1      ARG  65  13.481  15.713  -8.407
  728    H    TYR  66           H        TYR  66  11.002   8.710  -6.250
  729    HA   TYR  66           HA       TYR  66  13.702   7.716  -7.073
  730   1HB   TYR  66          1HB       TYR  66  12.800   8.454  -4.287
  731   2HB   TYR  66          2HB       TYR  66  14.409   8.006  -4.751
  732    HD1  TYR  66          1HD       TYR  66  15.039   9.699  -7.087
  733    HD2  TYR  66          2HD       TYR  66  12.753  10.628  -3.551
  734    HE1  TYR  66          1HE       TYR  66  15.618  12.079  -7.328
  735    HE2  TYR  66          2HE       TYR  66  13.400  13.006  -3.738
  736    HH   TYR  66           HH       TYR  66  15.876  14.085  -5.342
  737    QB   TYR  66           QB       TYR  66  13.605   8.230  -4.519
  738    QG   TYR  66           QD       TYR  66  13.896  10.164  -5.319
  739    QZ   TYR  66           QE       TYR  66  14.509  12.542  -5.533
  740    QR   TYR  66           QR       TYR  66  14.202  11.353  -5.426
  741    H    GLY  67           H        GLY  67  11.740   6.853  -4.172
  742   1HA   GLY  67          1HA       GLY  67  10.543   4.581  -4.451
  743   2HA   GLY  67          2HA       GLY  67  12.172   3.982  -4.795
  744    QA   GLY  67           QA       GLY  67  11.358   4.281  -4.623
  745    H    GLU  68           H        GLU  68  12.520   2.784  -3.051
  746    HA   GLU  68           HA       GLU  68  12.244   3.304  -0.297
  747   1HB   GLU  68          1HB       GLU  68  14.106   1.624  -0.174
  748   2HB   GLU  68          2HB       GLU  68  12.711   1.123  -1.156
  749   1HG   GLU  68          1HG       GLU  68  13.948   1.541  -3.211
  750   2HG   GLU  68          2HG       GLU  68  15.296   2.248  -2.307
  751    QB   GLU  68           QB       GLU  68  13.408   1.373  -0.665
  752    QG   GLU  68           QG       GLU  68  14.622   1.894  -2.759
  753    H    GLU  69           H        GLU  69  14.203   4.932  -2.536
  754    HA   GLU  69           HA       GLU  69  16.171   5.890  -0.507
  755   1HB   GLU  69          1HB       GLU  69  16.111   5.503  -3.513
  756   2HB   GLU  69          2HB       GLU  69  17.218   6.686  -2.802
  757   1HG   GLU  69          1HG       GLU  69  18.300   5.020  -1.421
  758   2HG   GLU  69          2HG       GLU  69  17.039   3.840  -1.741
  759    QB   GLU  69           QB       GLU  69  16.664   6.094  -3.158
  760    QG   GLU  69           QG       GLU  69  17.670   4.430  -1.581
  761    H    GLY  70           H        GLY  70  13.185   6.672  -1.510
  762   1HA   GLY  70          1HA       GLY  70  13.615   9.604  -1.753
  763   2HA   GLY  70          2HA       GLY  70  12.194   8.685  -2.294
  764    QA   GLY  70           QA       GLY  70  12.905   9.144  -2.024
  765    H    LEU  71           H        LEU  71  11.257   7.228  -0.358
  766    HA   LEU  71           HA       LEU  71  10.341   9.073   1.690
  767   1HB   LEU  71          1HB       LEU  71   9.058   7.010   0.829
  768   2HB   LEU  71          2HB       LEU  71  10.244   6.022   1.682
  769    HG   LEU  71           HG       LEU  71   9.578   7.476   3.786
  770   1HD1  LEU  71          3HD1      LEU  71   8.226   9.133   2.523
  771   2HD1  LEU  71          1HD1      LEU  71   7.103   7.844   2.044
  772   3HD1  LEU  71          2HD1      LEU  71   7.274   8.298   3.758
  773   1HD2  LEU  71          1HD2      LEU  71   9.082   5.044   3.492
  774   2HD2  LEU  71          2HD2      LEU  71   7.839   5.922   4.399
  775   3HD2  LEU  71          3HD2      LEU  71   7.564   5.506   2.698
  776    QB   LEU  71           QB       LEU  71   9.651   6.516   1.255
  777    QD1  LEU  71           QD1      LEU  71   7.534   8.425   2.775
  778    QD2  LEU  71           QD2      LEU  71   8.162   5.491   3.530
  779    QQD  LEU  71           QQD      LEU  71   7.848   6.958   3.152
  780    H    LYS  72           H        LYS  72  11.225   9.330   3.801
  781    HA   LYS  72           HA       LYS  72  13.877   8.121   4.251
  782   1HB   LYS  72          1HB       LYS  72  13.124  10.615   4.752
  783   2HB   LYS  72          2HB       LYS  72  12.545   9.926   6.280
  784   1HG   LYS  72          1HG       LYS  72  14.864   8.890   6.554
  785   2HG   LYS  72          2HG       LYS  72  15.340   9.702   5.069
  786   1HD   LYS  72          1HD       LYS  72  16.222  11.015   6.749
  787   2HD   LYS  72          2HD       LYS  72  14.797  11.925   6.235
  788   1HE   LYS  72          1HE       LYS  72  13.621  11.362   8.232
  789   2HE   LYS  72          2HE       LYS  72  14.670   9.973   8.559
  790   1HZ   LYS  72          1HZ       LYS  72  15.589  12.783   8.705
  791   2HZ   LYS  72          2HZ       LYS  72  15.151  11.901   9.992
  792   3HZ   LYS  72          3HZ       LYS  72  16.455  11.434   9.123
  793    QB   LYS  72           QB       LYS  72  12.834  10.271   5.516
  794    QG   LYS  72           QG       LYS  72  15.102   9.296   5.811
  795    QD   LYS  72           QD       LYS  72  15.509  11.470   6.492
  796    QE   LYS  72           QE       LYS  72  14.145  10.667   8.395
  797    QZ   LYS  72           QZ       LYS  72  15.731  12.039   9.273
  798    H    GLY  73           H        GLY  73  11.946   6.158   4.088
  799   1HA   GLY  73          1HA       GLY  73  10.828   4.478   5.141
  800   2HA   GLY  73          2HA       GLY  73  11.911   4.718   6.530
  801    QA   GLY  73           QA       GLY  73  11.370   4.598   5.836
  802    H    SER  74           H        SER  74   9.821   4.103   7.667
  803    HA   SER  74           HA       SER  74   7.713   5.984   8.025
  804   1HB   SER  74          1HB       SER  74   8.996   3.909   9.858
  805   2HB   SER  74          2HB       SER  74   7.452   4.722  10.175
  806    HG   SER  74           HG       SER  74   6.537   3.791   8.494
  807    QB   SER  74           QB       SER  74   8.224   4.316  10.017
  808    H    GLY  75           H        GLY  75  11.029   6.517   8.595
  809   1HA   GLY  75          1HA       GLY  75  12.190   7.869  10.003
  810   2HA   GLY  75          2HA       GLY  75  10.664   8.496  10.689
  811    QA   GLY  75           QA       GLY  75  11.427   8.182  10.346
  812    H    CYS  76           H        CYS  76  11.453   8.252  12.730
  813    HA   CYS  76           HA       CYS  76  11.448   7.119  14.836
  814   1HB   CYS  76          1HB       CYS  76  12.916   4.883  13.363
  815   2HB   CYS  76          2HB       CYS  76  12.749   5.051  15.115
  816    HG   CYS  76           HG       CYS  76  10.534   4.584  12.782
  817    QB   CYS  76           QB       CYS  76  12.832   4.967  14.239
   
  No H/Q in entry =         817
  Start of MODEL   10
    1    H    MET   0           H        MET   0  15.741  -0.075   5.826
    2    HA   MET   0           HA       MET   0  13.994   1.738   7.358
    3   1HB   MET   0          1HB       MET   0  16.691   2.026   7.166
    4   2HB   MET   0          2HB       MET   0  16.200   2.909   5.712
    5   1HG   MET   0          1HG       MET   0  16.239   4.500   7.510
    6   2HG   MET   0          2HG       MET   0  14.542   4.174   7.165
    7   1HE   MET   0          2HE       MET   0  15.112   5.675   9.667
    8   2HE   MET   0          3HE       MET   0  13.495   5.004   9.373
    9   3HE   MET   0          1HE       MET   0  14.275   4.783  10.958
   10    QB   MET   0           QB       MET   0  16.445   2.468   6.439
   11    QG   MET   0           QG       MET   0  15.391   4.337   7.337
   12    QE   MET   0           QE       MET   0  14.294   5.154  10.000
   13    H    GLY   1           H        GLY   1  14.975   0.800   4.027
   14   1HA   GLY   1          1HA       GLY   1  12.732   2.138   2.804
   15   2HA   GLY   1          2HA       GLY   1  13.574   0.684   2.241
   16    QA   GLY   1           QA       GLY   1  13.153   1.411   2.523
   17    H    LYS   2           H        LYS   2  11.573   1.529   5.151
   18    HA   LYS   2           HA       LYS   2   9.847  -0.823   4.836
   19   1HB   LYS   2          1HB       LYS   2   8.469   0.396   6.518
   20   2HB   LYS   2          2HB       LYS   2  10.042  -0.142   7.078
   21   1HG   LYS   2          1HG       LYS   2  10.934   2.117   7.029
   22   2HG   LYS   2          2HG       LYS   2   9.460   2.736   6.259
   23   1HD   LYS   2          1HD       LYS   2   8.159   1.898   8.223
   24   2HD   LYS   2          2HD       LYS   2   9.684   1.490   9.025
   25   1HE   LYS   2          1HE       LYS   2  10.381   3.894   8.845
   26   2HE   LYS   2          2HE       LYS   2   8.836   4.254   8.052
   27   1HZ   LYS   2          1HZ       LYS   2   7.760   3.366  10.084
   28   2HZ   LYS   2          2HZ       LYS   2   9.233   3.382  10.837
   29   3HZ   LYS   2          3HZ       LYS   2   8.549   4.782  10.283
   30    QB   LYS   2           QB       LYS   2   9.255   0.127   6.798
   31    QG   LYS   2           QG       LYS   2  10.197   2.427   6.644
   32    QD   LYS   2           QD       LYS   2   8.922   1.694   8.624
   33    QE   LYS   2           QE       LYS   2   9.609   4.074   8.448
   34    QZ   LYS   2           QZ       LYS   2   8.514   3.844  10.402
   35    H    ASP   3           H        ASP   3   9.688  -0.396   2.592
   36    HA   ASP   3           HA       ASP   3   8.581   2.013   1.597
   37   1HB   ASP   3          1HB       ASP   3   8.864  -0.664   0.232
   38   2HB   ASP   3          2HB       ASP   3   8.485   0.826  -0.596
   39    QB   ASP   3           QB       ASP   3   8.674   0.081  -0.182
   40    H    TYR   4           H        TYR   4   6.773   1.871  -0.061
   41    HA   TYR   4           HA       TYR   4   4.363   0.519   1.008
   42   1HB   TYR   4          1HB       TYR   4   4.544   3.428   0.178
   43   2HB   TYR   4          2HB       TYR   4   3.125   2.605   0.795
   44    HD1  TYR   4          1HD       TYR   4   3.784   1.345   3.282
   45    HD2  TYR   4          2HD       TYR   4   5.545   4.919   1.618
   46    HE1  TYR   4          1HE       TYR   4   4.576   1.990   5.517
   47    HE2  TYR   4          2HE       TYR   4   6.293   5.587   3.885
   48    HH   TYR   4           HH       TYR   4   5.413   3.842   6.799
   49    QB   TYR   4           QB       TYR   4   3.835   3.016   0.487
   50    QG   TYR   4           QD       TYR   4   4.665   3.132   2.450
   51    QZ   TYR   4           QE       TYR   4   5.435   3.788   4.701
   52    QR   TYR   4           QR       TYR   4   5.050   3.460   3.575
   53    H    TYR   5           H        TYR   5   5.446  -0.796  -0.907
   54    HA   TYR   5           HA       TYR   5   3.691  -0.285  -3.244
   55   1HB   TYR   5          1HB       TYR   5   6.647  -0.199  -3.247
   56   2HB   TYR   5          2HB       TYR   5   6.032  -1.464  -4.264
   57    HD1  TYR   5          1HD       TYR   5   5.877   2.216  -3.679
   58    HD2  TYR   5          2HD       TYR   5   5.068  -1.018  -6.415
   59    HE1  TYR   5          1HE       TYR   5   5.765   3.828  -5.563
   60    HE2  TYR   5          2HE       TYR   5   4.915   0.588  -8.281
   61    HH   TYR   5           HH       TYR   5   4.906   2.882  -8.880
   62    QB   TYR   5           QB       TYR   5   6.339  -0.831  -3.756
   63    QG   TYR   5           QD       TYR   5   5.472   0.599  -5.047
   64    QZ   TYR   5           QE       TYR   5   5.340   2.208  -6.922
   65    QR   TYR   5           QR       TYR   5   5.406   1.404  -5.985
   66    H    GLN   6           H        GLN   6   6.223  -2.693  -2.408
   67    HA   GLN   6           HA       GLN   6   4.526  -4.928  -2.975
   68   1HB   GLN   6          1HB       GLN   6   7.058  -4.756  -3.086
   69   2HB   GLN   6          2HB       GLN   6   7.074  -4.858  -1.331
   70   1HG   GLN   6          1HG       GLN   6   6.010  -7.106  -1.425
   71   2HG   GLN   6          2HG       GLN   6   5.960  -7.001  -3.189
   72   1HE2  GLN   6          2HE2      GLN   6   9.524  -7.726  -1.261
   73   2HE2  GLN   6          1HE2      GLN   6   8.057  -7.463  -0.349
   74    QB   GLN   6           QB       GLN   6   7.066  -4.807  -2.208
   75    QG   GLN   6           QG       GLN   6   5.985  -7.054  -2.307
   76    QE2  GLN   6           QE2      GLN   6   8.791  -7.594  -0.805
   77    H    THR   7           H        THR   7   5.052  -2.996  -0.138
   78    HA   THR   7           HA       THR   7   4.071  -4.668   1.883
   79    HB   THR   7           HB       THR   7   3.651  -1.674   1.529
   80    HG1  THR   7          1HG       THR   7   5.693  -1.548   2.515
   81   1HG2  THR   7          3HG2      THR   7   3.866  -3.353   4.056
   82   2HG2  THR   7          1HG2      THR   7   3.811  -1.579   4.007
   83   3HG2  THR   7          2HG2      THR   7   2.403  -2.519   3.488
   84    QG2  THR   7           QG2      THR   7   3.360  -2.484   3.850
   85    H    LEU   8           H        LEU   8   2.333  -3.170  -0.728
   86    HA   LEU   8           HA       LEU   8  -0.297  -4.109   0.311
   87   1HB   LEU   8          1HB       LEU   8   0.104  -1.788  -0.838
   88   2HB   LEU   8          2HB       LEU   8   0.194  -2.727  -2.333
   89    HG   LEU   8           HG       LEU   8  -2.124  -3.739  -1.507
   90   1HD1  LEU   8          1HD1      LEU   8  -1.976  -2.730   0.777
   91   2HD1  LEU   8          2HD1      LEU   8  -2.167  -1.132   0.031
   92   3HD1  LEU   8          3HD1      LEU   8  -3.453  -2.361  -0.118
   93   1HD2  LEU   8          3HD2      LEU   8  -1.868  -2.348  -3.488
   94   2HD2  LEU   8          1HD2      LEU   8  -3.335  -1.995  -2.595
   95   3HD2  LEU   8          2HD2      LEU   8  -1.977  -0.877  -2.470
   96    QB   LEU   8           QB       LEU   8   0.149  -2.257  -1.586
   97    QD1  LEU   8           QD1      LEU   8  -2.532  -2.074   0.230
   98    QD2  LEU   8           QD2      LEU   8  -2.393  -1.740  -2.851
   99    QQD  LEU   8           QQD      LEU   8  -2.462  -1.907  -1.310
  100    H    GLY   9           H        GLY   9   2.152  -5.803  -0.735
  101   1HA   GLY   9          1HA       GLY   9   2.434  -7.728  -1.885
  102   2HA   GLY   9          2HA       GLY   9   0.706  -7.766  -2.265
  103    QA   GLY   9           QA       GLY   9   1.570  -7.747  -2.075
  104    H    LEU  10           H        LEU  10   2.426  -4.785  -3.140
  105    HA   LEU  10           HA       LEU  10   1.781  -5.411  -5.864
  106   1HB   LEU  10          1HB       LEU  10   1.650  -3.166  -4.368
  107   2HB   LEU  10          2HB       LEU  10   3.165  -2.849  -5.175
  108    HG   LEU  10           HG       LEU  10   2.082  -2.166  -7.019
  109   1HD1  LEU  10          3HD1      LEU  10   1.764  -4.499  -7.901
  110   2HD1  LEU  10          1HD1      LEU  10   0.232  -4.595  -6.982
  111   3HD1  LEU  10          2HD1      LEU  10   0.404  -3.441  -8.288
  112   1HD2  LEU  10          1HD2      LEU  10   0.497  -1.369  -5.315
  113   2HD2  LEU  10          2HD2      LEU  10  -0.329  -1.775  -6.848
  114   3HD2  LEU  10          3HD2      LEU  10  -0.435  -2.881  -5.465
  115    QB   LEU  10           QB       LEU  10   2.408  -3.008  -4.771
  116    QD1  LEU  10           QD1      LEU  10   0.800  -4.179  -7.724
  117    QD2  LEU  10           QD2      LEU  10  -0.089  -2.008  -5.876
  118    QQD  LEU  10           QQD      LEU  10   0.355  -3.093  -6.800
  119    H    ALA  11           H        ALA  11   3.776  -3.999  -7.363
  120    HA   ALA  11           HA       ALA  11   6.380  -5.162  -6.641
  121   1HB   ALA  11          3HB       ALA  11   5.315  -6.788  -8.213
  122   2HB   ALA  11          1HB       ALA  11   5.071  -5.466  -9.382
  123   3HB   ALA  11          2HB       ALA  11   6.713  -5.962  -8.928
  124    QB   ALA  11           QB       ALA  11   5.700  -6.072  -8.841
  125    H    ARG  12           H        ARG  12   8.127  -3.967  -7.719
  126    HA   ARG  12           HA       ARG  12   7.427  -1.127  -8.159
  127   1HB   ARG  12          1HB       ARG  12  10.132  -2.532  -8.246
  128   2HB   ARG  12          2HB       ARG  12   9.838  -0.815  -8.453
  129   1HG   ARG  12          1HG       ARG  12  10.457  -0.819  -6.262
  130   2HG   ARG  12          2HG       ARG  12   8.713  -0.963  -6.075
  131   1HD   ARG  12          1HD       ARG  12   9.734  -2.503  -4.541
  132   2HD   ARG  12          2HD       ARG  12   9.042  -3.474  -5.823
  133    HE   ARG  12           HE       ARG  12  11.120  -4.098  -6.559
  134   1HH1  ARG  12          2HH2      ARG  12  11.542  -1.723  -3.889
  135   2HH1  ARG  12          1HH2      ARG  12  13.218  -2.160  -3.673
  136   1HH2  ARG  12          2HH1      ARG  12  13.419  -4.461  -6.268
  137   2HH2  ARG  12          1HH1      ARG  12  14.196  -3.716  -4.895
  138    QB   ARG  12           QB       ARG  12   9.985  -1.673  -8.350
  139    QG   ARG  12           QG       ARG  12   9.585  -0.891  -6.168
  140    QD   ARG  12           QD       ARG  12   9.388  -2.989  -5.182
  141    QH1  ARG  12           QH2      ARG  12  12.380  -1.942  -3.781
  142    QH2  ARG  12           QH1      ARG  12  13.808  -4.089  -5.582
  143    H    GLY  13           H        GLY  13   6.655  -0.627 -10.094
  144   1HA   GLY  13          1HA       GLY  13   7.203  -0.569 -12.566
  145   2HA   GLY  13          2HA       GLY  13   7.245  -2.332 -12.483
  146    QA   GLY  13           QA       GLY  13   7.224  -1.450 -12.525
  147    H    ALA  14           H        ALA  14   4.903  -1.873 -10.345
  148    HA   ALA  14           HA       ALA  14   2.705  -2.462 -12.034
  149   1HB   ALA  14          1HB       ALA  14   2.928  -3.122  -9.660
  150   2HB   ALA  14          2HB       ALA  14   2.768  -1.411  -9.177
  151   3HB   ALA  14          3HB       ALA  14   1.415  -2.252  -9.960
  152    QB   ALA  14           QB       ALA  14   2.370  -2.261  -9.599
  153    H    SER  15           H        SER  15   0.537  -1.098 -11.523
  154    HA   SER  15           HA       SER  15   0.931   1.746 -12.206
  155   1HB   SER  15          1HB       SER  15  -0.770   1.358 -14.034
  156   2HB   SER  15          2HB       SER  15   0.784   0.554 -14.322
  157    HG   SER  15           HG       SER  15  -1.144  -0.757 -14.675
  158    QB   SER  15           QB       SER  15   0.007   0.956 -14.178
  159    H    ASP  16           H        ASP  16  -1.225   2.836 -12.263
  160    HA   ASP  16           HA       ASP  16  -2.196   2.918  -9.715
  161   1HB   ASP  16          1HB       ASP  16  -3.368   3.957 -12.329
  162   2HB   ASP  16          2HB       ASP  16  -3.949   4.447 -10.731
  163    QB   ASP  16           QB       ASP  16  -3.658   4.202 -11.530
  164    H    GLU  17           H        GLU  17  -3.610   1.262 -12.538
  165    HA   GLU  17           HA       GLU  17  -6.073   0.650 -11.079
  166   1HB   GLU  17          1HB       GLU  17  -5.740   1.136 -13.642
  167   2HB   GLU  17          2HB       GLU  17  -5.237  -0.553 -13.738
  168   1HG   GLU  17          1HG       GLU  17  -7.600  -0.326 -14.300
  169   2HG   GLU  17          2HG       GLU  17  -7.456  -1.225 -12.793
  170    QB   GLU  17           QB       GLU  17  -5.488   0.291 -13.690
  171    QG   GLU  17           QG       GLU  17  -7.528  -0.775 -13.547
  172    H    GLU  18           H        GLU  18  -2.910  -0.643 -11.161
  173    HA   GLU  18           HA       GLU  18  -3.701  -3.409 -10.578
  174   1HB   GLU  18          1HB       GLU  18  -1.329  -2.218 -11.598
  175   2HB   GLU  18          2HB       GLU  18  -0.939  -2.638  -9.949
  176   1HG   GLU  18          1HG       GLU  18  -2.087  -4.521 -12.061
  177   2HG   GLU  18          2HG       GLU  18  -0.400  -4.430 -11.573
  178    QB   GLU  18           QB       GLU  18  -1.134  -2.428 -10.773
  179    QG   GLU  18           QG       GLU  18  -1.243  -4.475 -11.817
  180    H    ILE  19           H        ILE  19  -2.443  -0.352  -9.105
  181    HA   ILE  19           HA       ILE  19  -2.424  -1.204  -6.439
  182    HB   ILE  19           HB       ILE  19  -2.916   1.522  -7.634
  183   1HG1  ILE  19          1HG1      ILE  19  -0.738   0.413  -5.835
  184   2HG1  ILE  19          2HG1      ILE  19  -0.649   0.378  -7.609
  185   1HG2  ILE  19          3HG2      ILE  19  -2.839   0.881  -4.642
  186   2HG2  ILE  19          1HG2      ILE  19  -2.864   2.500  -5.373
  187   3HG2  ILE  19          2HG2      ILE  19  -4.256   1.478  -5.526
  188   1HD1  ILE  19          2HD1      ILE  19  -0.770   2.808  -7.674
  189   2HD1  ILE  19          3HD1      ILE  19  -0.790   2.870  -5.892
  190   3HD1  ILE  19          1HD1      ILE  19   0.601   2.190  -6.716
  191    QG1  ILE  19           QG1      ILE  19  -0.694   0.396  -6.722
  192    QG2  ILE  19           QG2      ILE  19  -3.320   1.619  -5.180
  193    QD1  ILE  19           QD1      ILE  19  -0.320   2.623  -6.761
  194    H    LYS  20           H        LYS  20  -5.132   0.456  -8.169
  195    HA   LYS  20           HA       LYS  20  -6.808  -0.018  -5.880
  196   1HB   LYS  20          1HB       LYS  20  -7.362   1.044  -8.660
  197   2HB   LYS  20          2HB       LYS  20  -8.657   0.820  -7.458
  198   1HG   LYS  20          1HG       LYS  20  -7.530   2.184  -5.824
  199   2HG   LYS  20          2HG       LYS  20  -6.087   2.351  -6.838
  200   1HD   LYS  20          1HD       LYS  20  -7.246   3.707  -8.436
  201   2HD   LYS  20          2HD       LYS  20  -8.811   3.402  -7.624
  202   1HE   LYS  20          1HE       LYS  20  -8.082   4.528  -5.619
  203   2HE   LYS  20          2HE       LYS  20  -6.438   4.726  -6.232
  204   1HZ   LYS  20          3HZ       LYS  20  -8.636   5.898  -7.771
  205   2HZ   LYS  20          1HZ       LYS  20  -8.121   6.665  -6.390
  206   3HZ   LYS  20          2HZ       LYS  20  -7.081   6.416  -7.601
  207    QB   LYS  20           QB       LYS  20  -8.010   0.932  -8.059
  208    QG   LYS  20           QG       LYS  20  -6.808   2.268  -6.331
  209    QD   LYS  20           QD       LYS  20  -8.028   3.554  -8.030
  210    QE   LYS  20           QE       LYS  20  -7.260   4.627  -5.925
  211    QZ   LYS  20           QZ       LYS  20  -7.946   6.326  -7.254
  212    H    ARG  21           H        ARG  21  -5.984  -2.227  -8.358
  213    HA   ARG  21           HA       ARG  21  -8.256  -4.000  -7.791
  214   1HB   ARG  21          1HB       ARG  21  -6.968  -3.953  -9.922
  215   2HB   ARG  21          2HB       ARG  21  -5.542  -4.532  -9.115
  216   1HG   ARG  21          1HG       ARG  21  -8.185  -6.072  -9.202
  217   2HG   ARG  21          2HG       ARG  21  -6.909  -6.212 -10.412
  218   1HD   ARG  21          1HD       ARG  21  -5.398  -6.614  -8.199
  219   2HD   ARG  21          2HD       ARG  21  -6.949  -7.164  -7.564
  220    HE   ARG  21           HE       ARG  21  -6.692  -9.100  -8.787
  221   1HH1  ARG  21          2HH2      ARG  21  -4.492  -6.668 -10.258
  222   2HH1  ARG  21          1HH2      ARG  21  -3.842  -7.808 -11.357
  223   1HH2  ARG  21          2HH1      ARG  21  -5.718 -10.546 -10.206
  224   2HH2  ARG  21          1HH1      ARG  21  -4.544  -9.956 -11.388
  225    QB   ARG  21           QB       ARG  21  -6.255  -4.243  -9.519
  226    QG   ARG  21           QG       ARG  21  -7.547  -6.142  -9.807
  227    QD   ARG  21           QD       ARG  21  -6.173  -6.889  -7.881
  228    QH1  ARG  21           QH2      ARG  21  -4.167  -7.238 -10.808
  229    QH2  ARG  21           QH1      ARG  21  -5.131 -10.251 -10.797
  230    H    ALA  22           H        ALA  22  -4.798  -3.891  -7.075
  231    HA   ALA  22           HA       ALA  22  -4.465  -5.989  -5.294
  232   1HB   ALA  22          1HB       ALA  22  -2.592  -4.795  -6.266
  233   2HB   ALA  22          2HB       ALA  22  -2.988  -3.343  -5.335
  234   3HB   ALA  22          3HB       ALA  22  -2.462  -4.820  -4.499
  235    QB   ALA  22           QB       ALA  22  -2.681  -4.319  -5.367
  236    H    TYR  23           H        TYR  23  -5.116  -2.511  -4.336
  237    HA   TYR  23           HA       TYR  23  -5.359  -2.935  -1.592
  238   1HB   TYR  23          1HB       TYR  23  -5.102  -0.765  -1.955
  239   2HB   TYR  23          2HB       TYR  23  -5.446  -0.850  -3.635
  240    HD1  TYR  23          1HD       TYR  23  -8.140  -1.074  -4.141
  241    HD2  TYR  23          2HD       TYR  23  -6.127   1.062  -0.976
  242    HE1  TYR  23          1HE       TYR  23  -9.999   0.515  -4.067
  243    HE2  TYR  23          2HE       TYR  23  -7.978   2.692  -0.925
  244    HH   TYR  23           HH       TYR  23 -10.009   3.344  -1.884
  245    QB   TYR  23           QB       TYR  23  -5.274  -0.807  -2.795
  246    QG   TYR  23           QD       TYR  23  -7.133  -0.006  -2.558
  247    QZ   TYR  23           QE       TYR  23  -8.988   1.604  -2.496
  248    QR   TYR  23           QR       TYR  23  -8.061   0.799  -2.527
  249    H    ARG  24           H        ARG  24  -7.869  -3.146  -4.180
  250    HA   ARG  24           HA       ARG  24  -9.990  -3.338  -2.303
  251   1HB   ARG  24          1HB       ARG  24 -10.149  -2.862  -4.824
  252   2HB   ARG  24          2HB       ARG  24  -9.949  -4.594  -5.077
  253   1HG   ARG  24          1HG       ARG  24 -12.243  -4.275  -5.136
  254   2HG   ARG  24          2HG       ARG  24 -11.993  -4.874  -3.488
  255   1HD   ARG  24          1HD       ARG  24 -12.373  -2.701  -2.550
  256   2HD   ARG  24          2HD       ARG  24 -12.085  -1.899  -4.094
  257    HE   ARG  24           HE       ARG  24 -14.206  -2.194  -4.724
  258   1HH1  ARG  24          2HH2      ARG  24 -13.769  -4.292  -1.836
  259   2HH1  ARG  24          1HH2      ARG  24 -15.454  -4.692  -1.777
  260   1HH2  ARG  24          2HH1      ARG  24 -16.410  -2.724  -4.513
  261   2HH2  ARG  24          1HH1      ARG  24 -16.944  -3.780  -3.223
  262    QB   ARG  24           QB       ARG  24 -10.049  -3.728  -4.950
  263    QG   ARG  24           QG       ARG  24 -12.118  -4.574  -4.312
  264    QD   ARG  24           QD       ARG  24 -12.229  -2.300  -3.322
  265    QH1  ARG  24           QH2      ARG  24 -14.611  -4.492  -1.807
  266    QH2  ARG  24           QH1      ARG  24 -16.677  -3.252  -3.868
  267    H    ARG  25           H        ARG  25  -8.114  -5.907  -4.038
  268    HA   ARG  25           HA       ARG  25  -9.515  -7.983  -2.575
  269   1HB   ARG  25          1HB       ARG  25  -7.965  -9.564  -3.495
  270   2HB   ARG  25          2HB       ARG  25  -8.558  -8.471  -4.739
  271   1HG   ARG  25          1HG       ARG  25  -6.394  -7.225  -4.646
  272   2HG   ARG  25          2HG       ARG  25  -5.790  -8.394  -3.445
  273   1HD   ARG  25          1HD       ARG  25  -6.210 -10.217  -5.099
  274   2HD   ARG  25          2HD       ARG  25  -6.741  -9.022  -6.270
  275    HE   ARG  25           HE       ARG  25  -4.487  -8.105  -6.370
  276   1HH1  ARG  25          2HH2      ARG  25  -4.711 -11.370  -4.863
  277   2HH1  ARG  25          1HH2      ARG  25  -3.164 -11.818  -5.439
  278   1HH2  ARG  25          2HH1      ARG  25  -2.439  -8.672  -6.930
  279   2HH2  ARG  25          1HH1      ARG  25  -1.731 -10.195  -6.467
  280    QB   ARG  25           QB       ARG  25  -8.261  -9.017  -4.117
  281    QG   ARG  25           QG       ARG  25  -6.092  -7.809  -4.046
  282    QD   ARG  25           QD       ARG  25  -6.476  -9.620  -5.684
  283    QH1  ARG  25           QH2      ARG  25  -3.938 -11.594  -5.151
  284    QH2  ARG  25           QH1      ARG  25  -2.085  -9.434  -6.699
  285    H    GLN  26           H        GLN  26  -6.417  -6.205  -1.890
  286    HA   GLN  26           HA       GLN  26  -5.572  -8.001   0.124
  287   1HB   GLN  26          1HB       GLN  26  -5.061  -5.103  -0.663
  288   2HB   GLN  26          2HB       GLN  26  -4.349  -5.692   0.802
  289   1HG   GLN  26          1HG       GLN  26  -3.995  -7.193  -1.830
  290   2HG   GLN  26          2HG       GLN  26  -2.977  -5.838  -1.364
  291   1HE2  GLN  26          2HE2      GLN  26  -0.767  -8.220   0.033
  292   2HE2  GLN  26          1HE2      GLN  26  -1.103  -7.031  -1.217
  293    QB   GLN  26           QB       GLN  26  -4.705  -5.398   0.069
  294    QG   GLN  26           QG       GLN  26  -3.486  -6.515  -1.597
  295    QE2  GLN  26           QE2      GLN  26  -0.935  -7.626  -0.592
  296    H    ALA  27           H        ALA  27  -7.477  -4.931   0.338
  297    HA   ALA  27           HA       ALA  27  -7.739  -4.932   3.145
  298   1HB   ALA  27          1HB       ALA  27  -9.719  -4.033   0.984
  299   2HB   ALA  27          2HB       ALA  27  -9.820  -3.611   2.711
  300   3HB   ALA  27          3HB       ALA  27  -8.449  -3.056   1.746
  301    QB   ALA  27           QB       ALA  27  -9.329  -3.567   1.814
  302    H    LEU  28           H        LEU  28  -9.891  -6.417   0.585
  303    HA   LEU  28           HA       LEU  28 -11.702  -7.483   2.479
  304   1HB   LEU  28          1HB       LEU  28 -11.432  -7.288  -0.375
  305   2HB   LEU  28          2HB       LEU  28 -11.690  -8.962  -0.019
  306    HG   LEU  28           HG       LEU  28 -13.427  -6.662   0.982
  307   1HD1  LEU  28          3HD1      LEU  28 -13.534  -6.909  -1.482
  308   2HD1  LEU  28          1HD1      LEU  28 -13.958  -8.621  -1.291
  309   3HD1  LEU  28          2HD1      LEU  28 -15.062  -7.357  -0.710
  310   1HD2  LEU  28          2HD2      LEU  28 -13.921  -9.675   1.032
  311   2HD2  LEU  28          3HD2      LEU  28 -13.612  -8.622   2.439
  312   3HD2  LEU  28          1HD2      LEU  28 -15.084  -8.407   1.508
  313    QB   LEU  28           QB       LEU  28 -11.561  -8.125  -0.197
  314    QD1  LEU  28           QD1      LEU  28 -14.184  -7.629  -1.161
  315    QD2  LEU  28           QD2      LEU  28 -14.206  -8.901   1.660
  316    QQD  LEU  28           QQD      LEU  28 -14.195  -8.265   0.249
  317    H    ARG  29           H        ARG  29  -8.567  -8.737   1.439
  318    HA   ARG  29           HA       ARG  29  -9.029 -11.441   2.257
  319   1HB   ARG  29          1HB       ARG  29  -7.314 -10.614   0.587
  320   2HB   ARG  29          2HB       ARG  29  -6.434  -9.863   1.902
  321   1HG   ARG  29          1HG       ARG  29  -5.968 -11.966   2.943
  322   2HG   ARG  29          2HG       ARG  29  -7.203 -12.762   1.956
  323   1HD   ARG  29          1HD       ARG  29  -5.270 -11.647   0.148
  324   2HD   ARG  29          2HD       ARG  29  -4.364 -12.430   1.439
  325    HE   ARG  29           HE       ARG  29  -6.496 -13.709  -0.223
  326   1HH1  ARG  29          2HH2      ARG  29  -3.622 -14.225   1.860
  327   2HH1  ARG  29          1HH2      ARG  29  -3.641 -15.933   1.607
  328   1HH2  ARG  29          2HH1      ARG  29  -6.323 -15.912  -0.686
  329   2HH2  ARG  29          1HH1      ARG  29  -5.297 -16.914   0.282
  330    QB   ARG  29           QB       ARG  29  -6.874 -10.238   1.244
  331    QG   ARG  29           QG       ARG  29  -6.586 -12.364   2.449
  332    QD   ARG  29           QD       ARG  29  -4.817 -12.039   0.793
  333    QH1  ARG  29           QH2      ARG  29  -3.631 -15.079   1.734
  334    QH2  ARG  29           QH1      ARG  29  -5.810 -16.413  -0.202
  335    H    TYR  30           H        TYR  30  -8.204  -8.457   3.962
  336    HA   TYR  30           HA       TYR  30  -7.409 -10.020   6.390
  337   1HB   TYR  30          1HB       TYR  30  -6.320  -7.567   4.987
  338   2HB   TYR  30          2HB       TYR  30  -6.219  -7.649   6.727
  339    HD1  TYR  30          2HD       TYR  30  -5.205  -9.583   3.674
  340    HD2  TYR  30          1HD       TYR  30  -4.514  -8.674   7.815
  341    HE1  TYR  30          2HE       TYR  30  -3.126 -10.937   3.605
  342    HE2  TYR  30          1HE       TYR  30  -2.373  -9.921   7.726
  343    HH   TYR  30           HH       TYR  30  -1.052 -11.508   4.851
  344    QB   TYR  30           QB       TYR  30  -6.269  -7.608   5.857
  345    QG   TYR  30           QD       TYR  30  -4.860  -9.128   5.745
  346    QZ   TYR  30           QE       TYR  30  -2.750 -10.429   5.665
  347    QR   TYR  30           QR       TYR  30  -3.805  -9.779   5.705
  348    H    HIS  31           H        HIS  31  -9.676  -7.667   5.249
  349    HA   HIS  31           HA       HIS  31  -9.866  -5.811   7.108
  350   1HB   HIS  31          1HB       HIS  31 -11.244  -5.913   5.112
  351   2HB   HIS  31          2HB       HIS  31 -12.216  -7.214   5.808
  352    HD1  HIS  31          1HD       HIS  31 -11.683  -4.541   8.465
  353    HD2  HIS  31          2HD       HIS  31 -14.127  -5.254   5.077
  354    HE1  HIS  31          1HE       HIS  31 -13.573  -3.003   8.679
  355    QB   HIS  31           QB       HIS  31 -11.730  -6.564   5.460
  356    HA   PRO  32           HA       PRO  32 -10.338  -8.252  10.847
  357   1HB   PRO  32          1HB       PRO  32 -10.959  -5.680  12.216
  358   2HB   PRO  32          2HB       PRO  32  -9.720  -6.921  12.583
  359   1HG   PRO  32          1HG       PRO  32  -9.151  -4.497  11.378
  360   2HG   PRO  32          2HG       PRO  32  -8.207  -6.003  11.081
  361   1HD   PRO  32          1HD       PRO  32 -10.241  -4.677   9.364
  362   2HD   PRO  32          2HD       PRO  32  -8.820  -5.681   8.919
  363    QB   PRO  32           QB       PRO  32 -10.340  -6.300  12.400
  364    QG   PRO  32           QG       PRO  32  -8.679  -5.250  11.230
  365    QD   PRO  32           QD       PRO  32  -9.531  -5.179   9.142
  366    H    ASP  33           H        ASP  33 -12.862  -6.130   9.626
  367    HA   ASP  33           HA       ASP  33 -14.812  -6.987  11.561
  368   1HB   ASP  33          1HB       ASP  33 -14.750  -4.743  10.376
  369   2HB   ASP  33          2HB       ASP  33 -15.294  -5.582   8.912
  370    QB   ASP  33           QB       ASP  33 -15.022  -5.163   9.644
  371    H    LYS  34           H        LYS  34 -13.472  -8.540   8.940
  372    HA   LYS  34           HA       LYS  34 -15.777 -10.391   8.540
  373   1HB   LYS  34          1HB       LYS  34 -16.035  -8.891   6.749
  374   2HB   LYS  34          2HB       LYS  34 -14.317  -8.731   6.461
  375   1HG   LYS  34          1HG       LYS  34 -15.556 -11.443   5.997
  376   2HG   LYS  34          2HG       LYS  34 -15.939 -10.151   4.878
  377   1HD   LYS  34          1HD       LYS  34 -13.628  -9.748   4.349
  378   2HD   LYS  34          2HD       LYS  34 -13.063 -10.839   5.599
  379   1HE   LYS  34          1HE       LYS  34 -12.897 -11.750   3.290
  380   2HE   LYS  34          2HE       LYS  34 -13.778 -12.773   4.428
  381   1HZ   LYS  34          3HZ       LYS  34 -15.196 -10.986   2.539
  382   2HZ   LYS  34          1HZ       LYS  34 -14.803 -12.545   2.186
  383   3HZ   LYS  34          2HZ       LYS  34 -15.806 -12.198   3.436
  384    QB   LYS  34           QB       LYS  34 -15.176  -8.811   6.605
  385    QG   LYS  34           QG       LYS  34 -15.748 -10.797   5.437
  386    QD   LYS  34           QD       LYS  34 -13.346 -10.293   4.974
  387    QE   LYS  34           QE       LYS  34 -13.338 -12.262   3.859
  388    QZ   LYS  34           QZ       LYS  34 -15.269 -11.909   2.720
  389    H    ASN  35           H        ASN  35 -12.315  -9.888   8.818
  390    HA   ASN  35           HA       ASN  35 -11.946 -12.781   9.109
  391   1HB   ASN  35          1HB       ASN  35 -11.050 -12.216   6.795
  392   2HB   ASN  35          2HB       ASN  35 -10.038 -10.975   7.538
  393   1HD2  ASN  35          2HD2      ASN  35  -7.765 -13.756   7.290
  394   2HD2  ASN  35          1HD2      ASN  35  -8.209 -12.255   6.491
  395    QB   ASN  35           QB       ASN  35 -10.544 -11.596   7.167
  396    QD2  ASN  35           QD2      ASN  35  -7.987 -13.006   6.890
  397    H    LYS  36           H        LYS  36 -11.691 -12.530  11.409
  398    HA   LYS  36           HA       LYS  36  -9.817 -10.430  12.337
  399   1HB   LYS  36          1HB       LYS  36 -11.413 -12.520  13.751
  400   2HB   LYS  36          2HB       LYS  36 -10.073 -11.685  14.532
  401   1HG   LYS  36          1HG       LYS  36 -11.246  -9.485  13.743
  402   2HG   LYS  36          2HG       LYS  36 -12.658 -10.505  13.465
  403   1HD   LYS  36          1HD       LYS  36 -12.841  -9.476  15.615
  404   2HD   LYS  36          2HD       LYS  36 -12.540 -11.202  15.884
  405   1HE   LYS  36          1HE       LYS  36 -10.086 -10.634  16.208
  406   2HE   LYS  36          2HE       LYS  36 -10.502  -8.928  16.069
  407   1HZ   LYS  36          1HZ       LYS  36 -11.544 -10.753  18.144
  408   2HZ   LYS  36          2HZ       LYS  36 -10.280  -9.720  18.314
  409   3HZ   LYS  36          3HZ       LYS  36 -11.774  -9.100  18.074
  410    QB   LYS  36           QB       LYS  36 -10.743 -12.103  14.141
  411    QG   LYS  36           QG       LYS  36 -11.952  -9.995  13.604
  412    QD   LYS  36           QD       LYS  36 -12.690 -10.339  15.749
  413    QE   LYS  36           QE       LYS  36 -10.294  -9.781  16.138
  414    QZ   LYS  36           QZ       LYS  36 -11.199  -9.858  18.177
  415    H    GLU  37           H        GLU  37  -8.269 -11.126  10.842
  416    HA   GLU  37           HA       GLU  37  -7.159 -13.710  10.750
  417   1HB   GLU  37          1HB       GLU  37  -7.256 -11.700   9.104
  418   2HB   GLU  37          2HB       GLU  37  -5.801 -11.172   9.813
  419   1HG   GLU  37          1HG       GLU  37  -6.248 -13.897   8.541
  420   2HG   GLU  37          2HG       GLU  37  -5.577 -12.501   7.702
  421    QB   GLU  37           QB       GLU  37  -6.529 -11.436   9.458
  422    QG   GLU  37           QG       GLU  37  -5.912 -13.199   8.121
  423    HA   PRO  38           HA       PRO  38  -5.485 -12.780  14.830
  424   1HB   PRO  38          1HB       PRO  38  -4.289 -15.151  15.530
  425   2HB   PRO  38          2HB       PRO  38  -6.055 -14.885  15.499
  426   1HG   PRO  38          1HG       PRO  38  -4.325 -16.150  13.366
  427   2HG   PRO  38          2HG       PRO  38  -5.898 -16.721  14.013
  428   1HD   PRO  38          1HD       PRO  38  -5.693 -15.336  11.670
  429   2HD   PRO  38          2HD       PRO  38  -7.084 -15.125  12.773
  430    QB   PRO  38           QB       PRO  38  -5.172 -15.018  15.514
  431    QG   PRO  38           QG       PRO  38  -5.111 -16.436  13.689
  432    QD   PRO  38           QD       PRO  38  -6.389 -15.231  12.221
  433    H    GLY  39           H        GLY  39  -3.790 -11.557  15.303
  434   1HA   GLY  39          1HA       GLY  39  -1.566 -10.923  15.606
  435   2HA   GLY  39          2HA       GLY  39  -1.026 -12.286  14.616
  436    QA   GLY  39           QA       GLY  39  -1.296 -11.605  15.111
  437    H    ALA  40           H        ALA  40  -3.196 -11.272  12.541
  438    HA   ALA  40           HA       ALA  40  -1.546  -9.624  10.841
  439   1HB   ALA  40          3HB       ALA  40  -3.397 -11.162  10.126
  440   2HB   ALA  40          1HB       ALA  40  -4.525  -9.967  10.854
  441   3HB   ALA  40          2HB       ALA  40  -3.518  -9.503   9.514
  442    QB   ALA  40           QB       ALA  40  -3.813 -10.211  10.165
  443    H    GLU  41           H        GLU  41  -3.216  -8.705  13.773
  444    HA   GLU  41           HA       GLU  41  -4.463  -6.334  12.872
  445   1HB   GLU  41          1HB       GLU  41  -4.529  -7.730  15.174
  446   2HB   GLU  41          2HB       GLU  41  -3.248  -6.622  15.606
  447   1HG   GLU  41          1HG       GLU  41  -5.145  -5.474  16.351
  448   2HG   GLU  41          2HG       GLU  41  -4.911  -4.739  14.780
  449    QB   GLU  41           QB       GLU  41  -3.888  -7.176  15.390
  450    QG   GLU  41           QG       GLU  41  -5.028  -5.107  15.566
  451    H    GLU  42           H        GLU  42  -1.094  -7.136  13.475
  452    HA   GLU  42           HA       GLU  42  -0.144  -4.354  13.374
  453   1HB   GLU  42          1HB       GLU  42   1.019  -6.265  14.499
  454   2HB   GLU  42          2HB       GLU  42   1.325  -6.997  12.932
  455   1HG   GLU  42          1HG       GLU  42   2.220  -4.193  13.735
  456   2HG   GLU  42          2HG       GLU  42   3.205  -5.621  14.008
  457    QB   GLU  42           QB       GLU  42   1.172  -6.631  13.716
  458    QG   GLU  42           QG       GLU  42   2.712  -4.907  13.871
  459    H    LYS  43           H        LYS  43  -0.357  -7.158  11.198
  460    HA   LYS  43           HA       LYS  43   0.987  -5.950   9.097
  461   1HB   LYS  43          1HB       LYS  43   0.151  -8.494   9.733
  462   2HB   LYS  43          2HB       LYS  43  -0.887  -8.169   8.356
  463   1HG   LYS  43          1HG       LYS  43   1.010  -7.595   6.956
  464   2HG   LYS  43          2HG       LYS  43   2.115  -7.645   8.309
  465   1HD   LYS  43          1HD       LYS  43   1.540 -10.148   8.536
  466   2HD   LYS  43          2HD       LYS  43   0.684  -9.977   6.992
  467   1HE   LYS  43          1HE       LYS  43   2.879 -10.723   6.411
  468   2HE   LYS  43          2HE       LYS  43   2.828  -8.998   6.026
  469   1HZ   LYS  43          3HZ       LYS  43   3.743  -9.105   8.609
  470   2HZ   LYS  43          1HZ       LYS  43   4.480 -10.389   7.858
  471   3HZ   LYS  43          2HZ       LYS  43   4.654  -8.874   7.260
  472    QB   LYS  43           QB       LYS  43  -0.368  -8.331   9.045
  473    QG   LYS  43           QG       LYS  43   1.562  -7.620   7.633
  474    QD   LYS  43           QD       LYS  43   1.112 -10.063   7.764
  475    QE   LYS  43           QE       LYS  43   2.853  -9.861   6.219
  476    QZ   LYS  43           QZ       LYS  43   4.292  -9.456   7.909
  477    H    PHE  44           H        PHE  44  -2.440  -6.320   9.608
  478    HA   PHE  44           HA       PHE  44  -3.367  -5.109   7.156
  479   1HB   PHE  44          1HB       PHE  44  -4.792  -6.459   8.695
  480   2HB   PHE  44          2HB       PHE  44  -4.682  -5.226   9.925
  481    HD1  PHE  44          1HD       PHE  44  -5.637  -5.527   6.278
  482    HD2  PHE  44          2HD       PHE  44  -6.452  -3.649  10.076
  483    HE1  PHE  44          1HE       PHE  44  -7.667  -4.469   5.322
  484    HE2  PHE  44          2HE       PHE  44  -8.433  -2.534   9.085
  485   1HZ   PHE  44           HZ       PHE  44  -9.070  -2.978   6.726
  486    QB   PHE  44           QB       PHE  44  -4.737  -5.843   9.310
  487    QG   PHE  44           QD       PHE  44  -6.045  -4.588   8.177
  488    QZ   PHE  44           QE       PHE  44  -8.050  -3.502   7.204
  489    QZ   PHE  44           QR       PHE  44  -7.452  -3.831   7.497
  490    H    LYS  45           H        LYS  45  -2.628  -3.755  10.433
  491    HA   LYS  45           HA       LYS  45  -3.247  -1.061   9.638
  492   1HB   LYS  45          1HB       LYS  45  -1.558  -2.215  11.852
  493   2HB   LYS  45          2HB       LYS  45  -1.678  -0.476  11.588
  494   1HG   LYS  45          1HG       LYS  45  -4.308  -1.926  11.590
  495   2HG   LYS  45          2HG       LYS  45  -3.479  -1.979  13.111
  496   1HD   LYS  45          1HD       LYS  45  -4.056   0.581  11.588
  497   2HD   LYS  45          2HD       LYS  45  -5.096  -0.072  12.848
  498   1HE   LYS  45          1HE       LYS  45  -2.220   0.891  13.156
  499   2HE   LYS  45          2HE       LYS  45  -3.672   1.714  13.729
  500   1HZ   LYS  45          1HZ       LYS  45  -4.053  -0.145  15.238
  501   2HZ   LYS  45          2HZ       LYS  45  -2.690  -0.905  14.704
  502   3HZ   LYS  45          3HZ       LYS  45  -2.534   0.512  15.475
  503    QB   LYS  45           QB       LYS  45  -1.618  -1.345  11.720
  504    QG   LYS  45           QG       LYS  45  -3.894  -1.953  12.351
  505    QD   LYS  45           QD       LYS  45  -4.576   0.255  12.218
  506    QE   LYS  45           QE       LYS  45  -2.946   1.302  13.442
  507    QZ   LYS  45           QZ       LYS  45  -3.093  -0.179  15.139
  508    H    GLU  46           H        GLU  46  -0.346  -3.082   9.194
  509    HA   GLU  46           HA       GLU  46   1.200  -1.037   7.962
  510   1HB   GLU  46          1HB       GLU  46   1.481  -3.701   8.713
  511   2HB   GLU  46          2HB       GLU  46   1.779  -3.741   6.989
  512   1HG   GLU  46          1HG       GLU  46   3.145  -1.576   8.570
  513   2HG   GLU  46          2HG       GLU  46   3.637  -3.217   8.915
  514    QB   GLU  46           QB       GLU  46   1.630  -3.721   7.851
  515    QG   GLU  46           QG       GLU  46   3.391  -2.397   8.743
  516    H    ILE  47           H        ILE  47  -1.201  -3.357   6.690
  517    HA   ILE  47           HA       ILE  47  -1.032  -2.743   3.919
  518    HB   ILE  47           HB       ILE  47  -3.509  -3.456   5.545
  519   1HG1  ILE  47          1HG1      ILE  47  -1.623  -5.125   5.155
  520   2HG1  ILE  47          2HG1      ILE  47  -3.294  -5.604   4.852
  521   1HG2  ILE  47          2HG2      ILE  47  -3.408  -2.990   2.584
  522   2HG2  ILE  47          3HG2      ILE  47  -4.695  -3.871   3.445
  523   3HG2  ILE  47          1HG2      ILE  47  -4.416  -2.168   3.788
  524   1HD1  ILE  47          3HD1      ILE  47  -1.394  -4.663   2.696
  525   2HD1  ILE  47          1HD1      ILE  47  -1.669  -6.365   3.145
  526   3HD1  ILE  47          2HD1      ILE  47  -3.009  -5.402   2.499
  527    QG1  ILE  47           QG1      ILE  47  -2.459  -5.365   5.004
  528    QG2  ILE  47           QG2      ILE  47  -4.173  -3.010   3.272
  529    QD1  ILE  47           QD1      ILE  47  -2.024  -5.477   2.780
  530    H    ALA  48           H        ALA  48  -3.034  -1.202   6.498
  531    HA   ALA  48           HA       ALA  48  -4.156   0.841   4.997
  532   1HB   ALA  48          1HB       ALA  48  -4.717   0.194   7.335
  533   2HB   ALA  48          2HB       ALA  48  -3.284   1.048   7.884
  534   3HB   ALA  48          3HB       ALA  48  -4.580   1.949   7.080
  535    QB   ALA  48           QB       ALA  48  -4.194   1.064   7.433
  536    H    GLU  49           H        GLU  49  -1.028   0.706   6.641
  537    HA   GLU  49           HA       GLU  49  -0.413   3.447   6.338
  538   1HB   GLU  49          1HB       GLU  49   0.679   1.759   7.913
  539   2HB   GLU  49          2HB       GLU  49   1.640   1.198   6.529
  540   1HG   GLU  49          1HG       GLU  49   2.501   3.519   6.241
  541   2HG   GLU  49          2HG       GLU  49   1.560   4.044   7.639
  542    QB   GLU  49           QB       GLU  49   1.159   1.478   7.221
  543    QG   GLU  49           QG       GLU  49   2.030   3.782   6.940
  544    H    ALA  50           H        ALA  50   0.253   0.658   4.240
  545    HA   ALA  50           HA       ALA  50   1.502   2.317   2.176
  546   1HB   ALA  50          1HB       ALA  50   2.117  -0.079   2.515
  547   2HB   ALA  50          2HB       ALA  50   0.469  -0.553   2.058
  548   3HB   ALA  50          3HB       ALA  50   1.527   0.240   0.871
  549    QB   ALA  50           QB       ALA  50   1.371  -0.131   1.814
  550    H    TYR  51           H        TYR  51  -1.704   1.175   2.972
  551    HA   TYR  51           HA       TYR  51  -3.050   1.346   0.506
  552   1HB   TYR  51          1HB       TYR  51  -3.726   0.439   2.892
  553   2HB   TYR  51          2HB       TYR  51  -4.336   2.049   3.166
  554    HD1  TYR  51          1HD       TYR  51  -4.619  -1.079   1.250
  555    HD2  TYR  51          2HD       TYR  51  -6.537   2.613   2.367
  556    HE1  TYR  51          1HE       TYR  51  -6.804  -2.020   0.547
  557    HE2  TYR  51          2HE       TYR  51  -8.718   1.689   1.699
  558    HH   TYR  51           HH       TYR  51  -9.827  -0.219   1.213
  559    QB   TYR  51           QB       TYR  51  -4.031   1.244   3.029
  560    QG   TYR  51           QD       TYR  51  -5.578   0.767   1.808
  561    QZ   TYR  51           QE       TYR  51  -7.761  -0.165   1.123
  562    QR   TYR  51           QR       TYR  51  -6.669   0.301   1.466
  563    H    ASP  52           H        ASP  52  -2.625   3.700   3.166
  564    HA   ASP  52           HA       ASP  52  -3.865   5.997   2.123
  565   1HB   ASP  52          1HB       ASP  52  -3.008   5.861   4.400
  566   2HB   ASP  52          2HB       ASP  52  -1.356   5.660   3.810
  567    QB   ASP  52           QB       ASP  52  -2.182   5.760   4.105
  568    H    VAL  53           H        VAL  53  -0.395   5.131   1.943
  569    HA   VAL  53           HA       VAL  53   0.338   7.270   0.332
  570    HB   VAL  53           HB       VAL  53   1.567   4.511   0.817
  571   1HG1  VAL  53          2HG1      VAL  53   2.715   6.833  -0.750
  572   2HG1  VAL  53          3HG1      VAL  53   3.728   5.560  -0.007
  573   3HG1  VAL  53          1HG1      VAL  53   2.544   5.135  -1.238
  574   1HG2  VAL  53          1HG2      VAL  53   1.972   7.269   1.985
  575   2HG2  VAL  53          2HG2      VAL  53   1.422   5.825   2.813
  576   3HG2  VAL  53          3HG2      VAL  53   3.103   5.918   2.278
  577    QG1  VAL  53           QG1      VAL  53   2.996   5.843  -0.665
  578    QG2  VAL  53           QG2      VAL  53   2.166   6.338   2.359
  579    QQG  VAL  53           QQG      VAL  53   2.581   6.090   0.847
  580    H    LEU  54           H        LEU  54  -0.484   3.902  -0.696
  581    HA   LEU  54           HA       LEU  54   0.194   4.521  -3.428
  582   1HB   LEU  54          1HB       LEU  54  -1.099   2.173  -1.996
  583   2HB   LEU  54          2HB       LEU  54  -0.843   2.240  -3.726
  584    HG   LEU  54           HG       LEU  54   1.506   2.718  -1.915
  585   1HD1  LEU  54          2HD1      LEU  54   0.489   0.565  -1.224
  586   2HD1  LEU  54          3HD1      LEU  54   0.622  -0.024  -2.908
  587   3HD1  LEU  54          1HD1      LEU  54   2.071   0.366  -1.965
  588   1HD2  LEU  54          2HD2      LEU  54   1.580   3.185  -4.406
  589   2HD2  LEU  54          3HD2      LEU  54   2.774   1.995  -3.868
  590   3HD2  LEU  54          1HD2      LEU  54   1.307   1.454  -4.685
  591    QB   LEU  54           QB       LEU  54  -0.971   2.206  -2.861
  592    QD1  LEU  54           QD1      LEU  54   1.060   0.303  -2.032
  593    QD2  LEU  54           QD2      LEU  54   1.887   2.211  -4.320
  594    QQD  LEU  54           QQD      LEU  54   1.474   1.257  -3.176
  595    H    SER  55           H        SER  55  -2.703   4.968  -1.483
  596    HA   SER  55           HA       SER  55  -4.357   5.391  -3.872
  597   1HB   SER  55          1HB       SER  55  -6.065   6.100  -2.430
  598   2HB   SER  55          2HB       SER  55  -5.328   4.677  -1.697
  599    HG   SER  55           HG       SER  55  -4.055   6.374  -0.434
  600    QB   SER  55           QB       SER  55  -5.697   5.388  -2.063
  601    H    ASP  56           H        ASP  56  -2.091   7.228  -1.865
  602    HA   ASP  56           HA       ASP  56  -3.105   9.803  -2.858
  603   1HB   ASP  56          1HB       ASP  56  -3.301   9.448  -0.492
  604   2HB   ASP  56          2HB       ASP  56  -1.593   8.991  -0.372
  605    QB   ASP  56           QB       ASP  56  -2.447   9.219  -0.432
  606    HA   PRO  57           HA       PRO  57   0.909   9.423  -5.021
  607   1HB   PRO  57          1HB       PRO  57   0.466  11.164  -7.066
  608   2HB   PRO  57          2HB       PRO  57  -0.226   9.516  -7.038
  609   1HG   PRO  57          1HG       PRO  57  -1.550  12.084  -6.164
  610   2HG   PRO  57          2HG       PRO  57  -2.200  10.844  -7.288
  611   1HD   PRO  57          1HD       PRO  57  -2.889  10.862  -4.674
  612   2HD   PRO  57          2HD       PRO  57  -2.582   9.311  -5.518
  613    QB   PRO  57           QB       PRO  57   0.120  10.340  -7.052
  614    QG   PRO  57           QG       PRO  57  -1.875  11.464  -6.726
  615    QD   PRO  57           QD       PRO  57  -2.736  10.086  -5.096
  616    H    ARG  58           H        ARG  58  -0.671  12.194  -3.501
  617    HA   ARG  58           HA       ARG  58   1.525  14.072  -3.915
  618   1HB   ARG  58          1HB       ARG  58  -0.673  14.000  -1.832
  619   2HB   ARG  58          2HB       ARG  58   0.448  15.331  -2.062
  620   1HG   ARG  58          1HG       ARG  58  -1.384  14.311  -4.289
  621   2HG   ARG  58          2HG       ARG  58  -1.876  15.503  -3.116
  622   1HD   ARG  58          1HD       ARG  58   0.549  15.839  -4.930
  623   2HD   ARG  58          2HD       ARG  58  -1.044  16.461  -5.322
  624    HE   ARG  58           HE       ARG  58   0.892  17.574  -3.552
  625   1HH1  ARG  58          2HH2      ARG  58  -2.671  17.405  -4.015
  626   2HH1  ARG  58          1HH2      ARG  58  -2.990  18.669  -2.864
  627   1HH2  ARG  58          2HH1      ARG  58   0.414  19.557  -2.454
  628   2HH2  ARG  58          1HH1      ARG  58  -1.195  19.986  -2.052
  629    QB   ARG  58           QB       ARG  58  -0.112  14.666  -1.947
  630    QG   ARG  58           QG       ARG  58  -1.630  14.907  -3.702
  631    QD   ARG  58           QD       ARG  58  -0.248  16.150  -5.126
  632    QH1  ARG  58           QH2      ARG  58  -2.831  18.037  -3.440
  633    QH2  ARG  58           QH1      ARG  58  -0.391  19.772  -2.253
  634    H    LYS  59           H        LYS  59   0.651  11.562  -1.513
  635    HA   LYS  59           HA       LYS  59   2.950  12.166   0.195
  636   1HB   LYS  59          1HB       LYS  59   0.767  10.943   0.832
  637   2HB   LYS  59          2HB       LYS  59   1.422   9.516   0.044
  638   1HG   LYS  59          1HG       LYS  59   2.556  11.051   2.402
  639   2HG   LYS  59          2HG       LYS  59   1.712   9.521   2.469
  640   1HD   LYS  59          1HD       LYS  59   3.709   8.512   2.492
  641   2HD   LYS  59          2HD       LYS  59   3.867   8.917   0.801
  642   1HE   LYS  59          1HE       LYS  59   5.847   9.726   1.808
  643   2HE   LYS  59          2HE       LYS  59   4.858  11.187   1.658
  644   1HZ   LYS  59          3HZ       LYS  59   5.047   9.497   4.089
  645   2HZ   LYS  59          1HZ       LYS  59   5.862  10.912   3.901
  646   3HZ   LYS  59          2HZ       LYS  59   4.213  10.885   3.993
  647    QB   LYS  59           QB       LYS  59   1.094  10.229   0.438
  648    QG   LYS  59           QG       LYS  59   2.134  10.286   2.436
  649    QD   LYS  59           QD       LYS  59   3.788   8.714   1.647
  650    QE   LYS  59           QE       LYS  59   5.352  10.456   1.733
  651    QZ   LYS  59           QZ       LYS  59   5.041  10.432   3.994
  652    H    ARG  60           H        ARG  60   2.080   9.619  -2.262
  653    HA   ARG  60           HA       ARG  60   4.549   8.386  -2.262
  654   1HB   ARG  60          1HB       ARG  60   2.130   7.922  -3.449
  655   2HB   ARG  60          2HB       ARG  60   3.044   8.495  -4.859
  656   1HG   ARG  60          1HG       ARG  60   4.816   6.800  -4.351
  657   2HG   ARG  60          2HG       ARG  60   3.902   6.364  -2.890
  658   1HD   ARG  60          1HD       ARG  60   3.501   4.685  -4.516
  659   2HD   ARG  60          2HD       ARG  60   2.009   5.635  -4.360
  660    HE   ARG  60           HE       ARG  60   3.182   6.904  -6.439
  661   1HH1  ARG  60          2HH2      ARG  60   2.701   3.423  -5.894
  662   2HH1  ARG  60          1HH2      ARG  60   2.354   3.077  -7.548
  663   1HH2  ARG  60          2HH1      ARG  60   2.850   6.427  -8.635
  664   2HH2  ARG  60          1HH1      ARG  60   2.366   4.846  -9.113
  665    QB   ARG  60           QB       ARG  60   2.587   8.208  -4.154
  666    QG   ARG  60           QG       ARG  60   4.359   6.582  -3.621
  667    QD   ARG  60           QD       ARG  60   2.755   5.160  -4.438
  668    QH1  ARG  60           QH2      ARG  60   2.527   3.250  -6.721
  669    QH2  ARG  60           QH1      ARG  60   2.608   5.637  -8.874
  670    H    GLU  61           H        GLU  61   3.894  11.533  -3.651
  671    HA   GLU  61           HA       GLU  61   5.542  11.568  -5.791
  672   1HB   GLU  61          1HB       GLU  61   3.901  13.276  -4.457
  673   2HB   GLU  61          2HB       GLU  61   5.403  13.955  -3.912
  674   1HG   GLU  61          1HG       GLU  61   5.935  14.730  -6.081
  675   2HG   GLU  61          2HG       GLU  61   4.971  13.467  -6.866
  676    QB   GLU  61           QB       GLU  61   4.652  13.615  -4.185
  677    QG   GLU  61           QG       GLU  61   5.453  14.099  -6.473
  678    H    ILE  62           H        ILE  62   6.542  11.651  -2.424
  679    HA   ILE  62           HA       ILE  62   9.337  12.329  -2.912
  680    HB   ILE  62           HB       ILE  62   7.884  10.990  -0.576
  681   1HG1  ILE  62          1HG1      ILE  62   8.746  13.851  -1.143
  682   2HG1  ILE  62          2HG1      ILE  62   7.107  13.249  -0.936
  683   1HG2  ILE  62          2HG2      ILE  62  10.308  10.375  -0.570
  684   2HG2  ILE  62          3HG2      ILE  62  10.717  12.107  -0.603
  685   3HG2  ILE  62          1HG2      ILE  62   9.889  11.398   0.783
  686   1HD1  ILE  62          2HD1      ILE  62   7.612  12.715   1.451
  687   2HD1  ILE  62          3HD1      ILE  62   9.202  13.502   1.250
  688   3HD1  ILE  62          1HD1      ILE  62   7.729  14.440   1.039
  689    QG1  ILE  62           QG1      ILE  62   7.926  13.550  -1.039
  690    QG2  ILE  62           QG2      ILE  62  10.305  11.293  -0.130
  691    QD1  ILE  62           QD1      ILE  62   8.181  13.552   1.247
  692    H    PHE  63           H        PHE  63   7.411   9.340  -2.530
  693    HA   PHE  63           HA       PHE  63   9.658   7.550  -2.556
  694   1HB   PHE  63          1HB       PHE  63   7.371   7.131  -1.561
  695   2HB   PHE  63          2HB       PHE  63   6.744   6.973  -3.191
  696    HD1  PHE  63          2HD       PHE  63   7.664   5.111  -4.713
  697    HD2  PHE  63          1HD       PHE  63   8.590   5.374  -0.497
  698    HE1  PHE  63          2HE       PHE  63   8.326   2.736  -4.699
  699    HE2  PHE  63          1HE       PHE  63   9.270   3.022  -0.501
  700   1HZ   PHE  63           HZ       PHE  63   9.060   1.652  -2.598
  701    QB   PHE  63           QB       PHE  63   7.057   7.052  -2.376
  702    QG   PHE  63           QD       PHE  63   8.127   5.243  -2.605
  703    QZ   PHE  63           QE       PHE  63   8.798   2.879  -2.600
  704    QZ   PHE  63           QR       PHE  63   8.582   3.579  -2.602
  705    H    ASP  64           H        ASP  64   7.345   8.658  -5.056
  706    HA   ASP  64           HA       ASP  64   8.337   7.126  -7.210
  707   1HB   ASP  64          1HB       ASP  64   6.063   8.336  -6.947
  708   2HB   ASP  64          2HB       ASP  64   6.920   9.804  -7.390
  709    QB   ASP  64           QB       ASP  64   6.492   9.070  -7.168
  710    H    ARG  65           H        ARG  65   9.965   9.442  -5.619
  711    HA   ARG  65           HA       ARG  65  11.446  10.543  -7.973
  712   1HB   ARG  65          1HB       ARG  65  10.421  12.269  -6.964
  713   2HB   ARG  65          2HB       ARG  65  10.546  11.631  -5.355
  714   1HG   ARG  65          1HG       ARG  65  12.866  12.226  -5.152
  715   2HG   ARG  65          2HG       ARG  65  12.918  12.795  -6.830
  716   1HD   ARG  65          1HD       ARG  65  10.974  13.931  -4.751
  717   2HD   ARG  65          2HD       ARG  65  12.598  14.572  -4.999
  718    HE   ARG  65           HE       ARG  65  12.082  15.387  -7.069
  719   1HH1  ARG  65          2HH2      ARG  65   9.061  13.726  -5.872
  720   2HH1  ARG  65          1HH2      ARG  65   8.128  14.455  -7.118
  721   1HH2  ARG  65          2HH1      ARG  65  10.676  16.328  -8.611
  722   2HH2  ARG  65          1HH1      ARG  65   9.000  15.903  -8.620
  723    QB   ARG  65           QB       ARG  65  10.483  11.950  -6.160
  724    QG   ARG  65           QG       ARG  65  12.892  12.511  -5.991
  725    QD   ARG  65           QD       ARG  65  11.786  14.251  -4.875
  726    QH1  ARG  65           QH2      ARG  65   8.594  14.090  -6.495
  727    QH2  ARG  65           QH1      ARG  65   9.838  16.115  -8.615
  728    H    TYR  66           H        TYR  66  11.759   9.479  -4.617
  729    HA   TYR  66           HA       TYR  66  14.583   8.728  -5.119
  730   1HB   TYR  66          1HB       TYR  66  13.016   8.414  -2.571
  731   2HB   TYR  66          2HB       TYR  66  14.770   8.226  -2.828
  732    HD1  TYR  66          1HD       TYR  66  16.026  10.310  -3.856
  733    HD2  TYR  66          2HD       TYR  66  12.188  10.500  -1.906
  734    HE1  TYR  66          1HE       TYR  66  16.274  12.736  -3.629
  735    HE2  TYR  66          2HE       TYR  66  12.395  12.951  -1.731
  736    HH   TYR  66           HH       TYR  66  15.305  14.700  -2.827
  737    QB   TYR  66           QB       TYR  66  13.893   8.320  -2.700
  738    QG   TYR  66           QD       TYR  66  14.107  10.405  -2.881
  739    QZ   TYR  66           QE       TYR  66  14.334  12.843  -2.680
  740    QR   TYR  66           QR       TYR  66  14.221  11.624  -2.780
  741    H    GLY  67           H        GLY  67  12.229   6.734  -3.352
  742   1HA   GLY  67          1HA       GLY  67  11.178   4.767  -4.054
  743   2HA   GLY  67          2HA       GLY  67  12.236   4.677  -5.458
  744    QA   GLY  67           QA       GLY  67  11.707   4.722  -4.756
  745    H    GLU  68           H        GLU  68  11.806   3.865  -2.149
  746    HA   GLU  68           HA       GLU  68  12.636   2.548  -0.666
  747   1HB   GLU  68          1HB       GLU  68  12.928   0.980  -2.584
  748   2HB   GLU  68          2HB       GLU  68  14.592   1.529  -2.729
  749   1HG   GLU  68          1HG       GLU  68  13.974   0.748   0.044
  750   2HG   GLU  68          2HG       GLU  68  13.566  -0.523  -1.088
  751    QB   GLU  68           QB       GLU  68  13.760   1.255  -2.657
  752    QG   GLU  68           QG       GLU  68  13.770   0.113  -0.522
  753    H    GLU  69           H        GLU  69  13.891   2.808   1.008
  754    HA   GLU  69           HA       GLU  69  15.022   3.855   2.536
  755   1HB   GLU  69          1HB       GLU  69  16.903   2.666   1.539
  756   2HB   GLU  69          2HB       GLU  69  17.284   4.071   0.540
  757   1HG   GLU  69          1HG       GLU  69  17.105   4.222   3.578
  758   2HG   GLU  69          2HG       GLU  69  18.561   3.682   2.768
  759    QB   GLU  69           QB       GLU  69  17.094   3.368   1.040
  760    QG   GLU  69           QG       GLU  69  17.833   3.952   3.173
  761    H    GLY  70           H        GLY  70  15.228   5.618  -0.499
  762   1HA   GLY  70          1HA       GLY  70  15.470   8.242  -0.146
  763   2HA   GLY  70          2HA       GLY  70  14.110   7.518  -0.985
  764    QA   GLY  70           QA       GLY  70  14.790   7.880  -0.566
  765    H    LEU  71           H        LEU  71  12.451   6.573   0.745
  766    HA   LEU  71           HA       LEU  71  11.312   9.032   1.868
  767   1HB   LEU  71          1HB       LEU  71   9.928   7.470   0.546
  768   2HB   LEU  71          2HB       LEU  71  10.248   6.179   1.711
  769    HG   LEU  71           HG       LEU  71   9.049   7.420   3.463
  770   1HD1  LEU  71          1HD1      LEU  71   8.477   9.506   1.306
  771   2HD1  LEU  71          2HD1      LEU  71   7.729   9.441   2.919
  772   3HD1  LEU  71          3HD1      LEU  71   9.446   9.764   2.777
  773   1HD2  LEU  71          1HD2      LEU  71   7.806   5.897   1.975
  774   2HD2  LEU  71          2HD2      LEU  71   6.784   7.263   2.467
  775   3HD2  LEU  71          3HD2      LEU  71   7.491   7.231   0.841
  776    QB   LEU  71           QB       LEU  71  10.088   6.825   1.128
  777    QD1  LEU  71           QD1      LEU  71   8.551   9.570   2.334
  778    QD2  LEU  71           QD2      LEU  71   7.360   6.797   1.761
  779    QQD  LEU  71           QQD      LEU  71   7.956   8.184   2.048
  780    H    LYS  72           H        LYS  72  12.459   9.601   3.634
  781    HA   LYS  72           HA       LYS  72  12.902   7.608   5.818
  782   1HB   LYS  72          1HB       LYS  72  14.889   8.203   4.282
  783   2HB   LYS  72          2HB       LYS  72  14.892   9.776   5.047
  784   1HG   LYS  72          1HG       LYS  72  15.072   7.171   6.638
  785   2HG   LYS  72          2HG       LYS  72  16.473   7.917   5.878
  786   1HD   LYS  72          1HD       LYS  72  16.014  10.022   7.202
  787   2HD   LYS  72          2HD       LYS  72  14.727   9.148   8.042
  788   1HE   LYS  72          1HE       LYS  72  16.713   9.165   9.397
  789   2HE   LYS  72          2HE       LYS  72  16.344   7.507   8.901
  790   1HZ   LYS  72          2HZ       LYS  72  18.347   9.226   7.563
  791   2HZ   LYS  72          3HZ       LYS  72  18.716   8.178   8.757
  792   3HZ   LYS  72          1HZ       LYS  72  18.143   7.627   7.300
  793    QB   LYS  72           QB       LYS  72  14.891   8.989   4.664
  794    QG   LYS  72           QG       LYS  72  15.772   7.544   6.258
  795    QD   LYS  72           QD       LYS  72  15.371   9.585   7.622
  796    QE   LYS  72           QE       LYS  72  16.529   8.336   9.149
  797    QZ   LYS  72           QZ       LYS  72  18.402   8.344   7.873
  798    H    GLY  73           H        GLY  73  10.725   8.620   6.238
  799   1HA   GLY  73          1HA       GLY  73  11.109  10.874   8.123
  800   2HA   GLY  73          2HA       GLY  73   9.770  10.948   6.961
  801    QA   GLY  73           QA       GLY  73  10.439  10.911   7.542
  802    H    SER  74           H        SER  74   7.907  10.174   7.781
  803    HA   SER  74           HA       SER  74   6.325   8.998   8.724
  804   1HB   SER  74          1HB       SER  74   6.507   6.626   9.080
  805   2HB   SER  74          2HB       SER  74   7.307   7.073   7.582
  806    HG   SER  74           HG       SER  74   9.265   7.185   9.056
  807    QB   SER  74           QB       SER  74   6.907   6.850   8.331
  808    H    GLY  75           H        GLY  75   8.701  10.264  10.647
  809   1HA   GLY  75          1HA       GLY  75   7.193  10.254  12.993
  810   2HA   GLY  75          2HA       GLY  75   8.269   8.859  13.121
  811    QA   GLY  75           QA       GLY  75   7.731   9.556  13.057
  812    H    CYS  76           H        CYS  76  10.580   9.205  13.066
  813    HA   CYS  76           HA       CYS  76  11.504  11.988  13.577
  814   1HB   CYS  76          1HB       CYS  76  12.187   9.480  15.180
  815   2HB   CYS  76          2HB       CYS  76  13.068  11.010  15.244
  816    HG   CYS  76           HG       CYS  76  10.830  12.457  15.697
  817    QB   CYS  76           QB       CYS  76  12.627  10.245  15.212
   
  No H/Q in entry =         817
  Start of MODEL   11
    1    H    MET   0           H        MET   0  12.628  -6.592   6.573
    2    HA   MET   0           HA       MET   0  12.417  -4.370   5.709
    3   1HB   MET   0          1HB       MET   0  15.331  -5.292   5.725
    4   2HB   MET   0          2HB       MET   0  14.792  -3.608   5.712
    5   1HG   MET   0          1HG       MET   0  15.281  -4.079   7.938
    6   2HG   MET   0          2HG       MET   0  13.533  -3.971   7.791
    7   1HE   MET   0          1HE       MET   0  12.537  -5.030   9.604
    8   2HE   MET   0          2HE       MET   0  13.095  -6.492  10.439
    9   3HE   MET   0          3HE       MET   0  14.088  -5.014  10.464
   10    QB   MET   0           QB       MET   0  15.062  -4.450   5.719
   11    QG   MET   0           QG       MET   0  14.407  -4.025   7.865
   12    QE   MET   0           QE       MET   0  13.240  -5.512  10.169
   13    H    GLY   1           H        GLY   1  14.408  -3.155   3.875
   14   1HA   GLY   1          1HA       GLY   1  14.268  -2.434   1.733
   15   2HA   GLY   1          2HA       GLY   1  14.131  -4.131   1.255
   16    QA   GLY   1           QA       GLY   1  14.199  -3.282   1.494
   17    H    LYS   2           H        LYS   2  11.864  -2.217   3.310
   18    HA   LYS   2           HA       LYS   2   9.687  -3.545   1.869
   19   1HB   LYS   2          1HB       LYS   2   9.939  -2.015   4.452
   20   2HB   LYS   2          2HB       LYS   2   8.341  -2.270   3.728
   21   1HG   LYS   2          1HG       LYS   2   8.510  -4.620   3.771
   22   2HG   LYS   2          2HG       LYS   2  10.258  -4.606   3.954
   23   1HD   LYS   2          1HD       LYS   2   9.164  -5.362   5.951
   24   2HD   LYS   2          2HD       LYS   2  10.100  -3.883   6.259
   25   1HE   LYS   2          1HE       LYS   2   8.107  -2.545   6.363
   26   2HE   LYS   2          2HE       LYS   2   7.118  -3.854   5.692
   27   1HZ   LYS   2          3HZ       LYS   2   8.455  -4.081   8.308
   28   2HZ   LYS   2          1HZ       LYS   2   6.898  -3.588   8.079
   29   3HZ   LYS   2          2HZ       LYS   2   7.347  -5.095   7.619
   30    QB   LYS   2           QB       LYS   2   9.140  -2.142   4.090
   31    QG   LYS   2           QG       LYS   2   9.384  -4.613   3.863
   32    QD   LYS   2           QD       LYS   2   9.632  -4.623   6.105
   33    QE   LYS   2           QE       LYS   2   7.612  -3.200   6.028
   34    QZ   LYS   2           QZ       LYS   2   7.567  -4.255   8.002
   35    H    ASP   3           H        ASP   3   9.639  -2.700  -0.100
   36    HA   ASP   3           HA       ASP   3   9.764  -0.035  -0.807
   37   1HB   ASP   3          1HB       ASP   3   8.290  -2.091  -2.463
   38   2HB   ASP   3          2HB       ASP   3   9.233  -0.715  -3.021
   39    QB   ASP   3           QB       ASP   3   8.762  -1.403  -2.742
   40    H    TYR   4           H        TYR   4   7.233  -1.115   0.953
   41    HA   TYR   4           HA       TYR   4   5.055  -0.757   1.276
   42   1HB   TYR   4          1HB       TYR   4   5.218   1.620  -0.610
   43   2HB   TYR   4          2HB       TYR   4   3.977   1.287   0.571
   44    HD1  TYR   4          1HD       TYR   4   4.543   1.383   3.071
   45    HD2  TYR   4          2HD       TYR   4   7.332   2.560  -0.009
   46    HE1  TYR   4          1HE       TYR   4   6.019   2.385   4.791
   47    HE2  TYR   4          2HE       TYR   4   8.819   3.537   1.703
   48    HH   TYR   4           HH       TYR   4   9.240   3.029   4.138
   49    QB   TYR   4           QB       TYR   4   4.597   1.453  -0.019
   50    QG   TYR   4           QD       TYR   4   5.938   1.972   1.531
   51    QZ   TYR   4           QE       TYR   4   7.419   2.961   3.247
   52    QR   TYR   4           QR       TYR   4   6.678   2.466   2.389
   53    H    TYR   5           H        TYR   5   5.495   0.007  -2.172
   54    HA   TYR   5           HA       TYR   5   3.368  -1.218  -3.473
   55   1HB   TYR   5          1HB       TYR   5   6.306  -0.779  -4.063
   56   2HB   TYR   5          2HB       TYR   5   5.329  -1.745  -5.153
   57    HD1  TYR   5          1HD       TYR   5   5.681   1.688  -3.695
   58    HD2  TYR   5          2HD       TYR   5   3.616  -0.845  -6.510
   59    HE1  TYR   5          1HE       TYR   5   4.679   3.685  -4.765
   60    HE2  TYR   5          2HE       TYR   5   2.578   1.119  -7.534
   61    HH   TYR   5           HH       TYR   5   2.928   3.387  -7.811
   62    QB   TYR   5           QB       TYR   5   5.818  -1.262  -4.608
   63    QG   TYR   5           QD       TYR   5   4.648   0.421  -5.102
   64    QZ   TYR   5           QE       TYR   5   3.628   2.402  -6.150
   65    QR   TYR   5           QR       TYR   5   4.138   1.412  -5.626
   66    H    GLN   6           H        GLN   6   6.539  -2.773  -2.742
   67    HA   GLN   6           HA       GLN   6   5.574  -5.290  -3.540
   68   1HB   GLN   6          1HB       GLN   6   8.018  -4.379  -3.240
   69   2HB   GLN   6          2HB       GLN   6   7.842  -4.886  -1.562
   70   1HG   GLN   6          1HG       GLN   6   8.909  -6.709  -2.600
   71   2HG   GLN   6          2HG       GLN   6   7.231  -7.237  -2.541
   72   1HE2  GLN   6          2HE2      GLN   6   9.115  -6.299  -6.130
   73   2HE2  GLN   6          1HE2      GLN   6   9.857  -6.074  -4.572
   74    QB   GLN   6           QB       GLN   6   7.930  -4.633  -2.401
   75    QG   GLN   6           QG       GLN   6   8.070  -6.973  -2.570
   76    QE2  GLN   6           QE2      GLN   6   9.486  -6.186  -5.351
   77    H    THR   7           H        THR   7   5.430  -3.708  -0.312
   78    HA   THR   7           HA       THR   7   4.802  -6.133   1.089
   79    HB   THR   7           HB       THR   7   3.939  -3.310   1.862
   80    HG1  THR   7          1HG       THR   7   5.904  -3.208   3.001
   81   1HG2  THR   7          3HG2      THR   7   4.634  -5.773   3.532
   82   2HG2  THR   7          1HG2      THR   7   4.208  -4.183   4.187
   83   3HG2  THR   7          2HG2      THR   7   3.013  -5.091   3.287
   84    QG2  THR   7           QG2      THR   7   3.952  -5.016   3.669
   85    H    LEU   8           H        LEU   8   2.973  -3.962  -0.906
   86    HA   LEU   8           HA       LEU   8   0.441  -5.332  -0.249
   87   1HB   LEU   8          1HB       LEU   8   0.855  -2.745  -0.788
   88   2HB   LEU   8          2HB       LEU   8   0.766  -3.317  -2.451
   89    HG   LEU   8           HG       LEU   8  -1.501  -4.379  -1.832
   90   1HD1  LEU   8          3HD1      LEU   8  -1.167  -2.590   0.627
   91   2HD1  LEU   8          1HD1      LEU   8  -2.655  -3.427   0.138
   92   3HD1  LEU   8          2HD1      LEU   8  -1.245  -4.356   0.659
   93   1HD2  LEU   8          2HD2      LEU   8  -1.280  -2.219  -3.057
   94   2HD2  LEU   8          3HD2      LEU   8  -2.683  -2.267  -2.013
   95   3HD2  LEU   8          1HD2      LEU   8  -1.284  -1.359  -1.494
   96    QB   LEU   8           QB       LEU   8   0.811  -3.031  -1.619
   97    QD1  LEU   8           QD1      LEU   8  -1.689  -3.458   0.475
   98    QD2  LEU   8           QD2      LEU   8  -1.749  -1.948  -2.188
   99    QQD  LEU   8           QQD      LEU   8  -1.719  -2.703  -0.857
  100    H    GLY   9           H        GLY   9   3.108  -5.752  -2.379
  101   1HA   GLY   9          1HA       GLY   9   3.567  -7.487  -3.753
  102   2HA   GLY   9          2HA       GLY   9   1.906  -8.073  -3.628
  103    QA   GLY   9           QA       GLY   9   2.737  -7.780  -3.691
  104    H    LEU  10           H        LEU  10   3.908  -5.500  -5.032
  105    HA   LEU  10           HA       LEU  10   2.167  -5.325  -7.470
  106   1HB   LEU  10          1HB       LEU  10   3.152  -3.146  -5.602
  107   2HB   LEU  10          2HB       LEU  10   2.748  -2.770  -7.259
  108    HG   LEU  10           HG       LEU  10   0.708  -4.189  -5.529
  109   1HD1  LEU  10          1HD1      LEU  10   1.221  -1.209  -5.742
  110   2HD1  LEU  10          2HD1      LEU  10  -0.199  -1.981  -4.991
  111   3HD1  LEU  10          3HD1      LEU  10   1.421  -2.235  -4.305
  112   1HD2  LEU  10          1HD2      LEU  10   0.608  -2.379  -7.990
  113   2HD2  LEU  10          2HD2      LEU  10   0.266  -4.122  -7.937
  114   3HD2  LEU  10          3HD2      LEU  10  -0.809  -2.978  -7.123
  115    QB   LEU  10           QB       LEU  10   2.950  -2.958  -6.431
  116    QD1  LEU  10           QD1      LEU  10   0.814  -1.808  -5.013
  117    QD2  LEU  10           QD2      LEU  10   0.021  -3.160  -7.684
  118    QQD  LEU  10           QQD      LEU  10   0.418  -2.484  -6.348
  119    H    ALA  11           H        ALA  11   3.237  -3.945  -9.197
  120    HA   ALA  11           HA       ALA  11   6.085  -4.482  -9.633
  121   1HB   ALA  11          2HB       ALA  11   3.945  -2.762 -10.987
  122   2HB   ALA  11          3HB       ALA  11   5.613  -2.827 -11.553
  123   3HB   ALA  11          1HB       ALA  11   4.648  -4.301 -11.563
  124    QB   ALA  11           QB       ALA  11   4.735  -3.296 -11.368
  125    H    ARG  12           H        ARG  12   7.476  -2.580 -10.177
  126    HA   ARG  12           HA       ARG  12   7.569  -0.594  -8.018
  127   1HB   ARG  12          1HB       ARG  12   9.190  -0.791 -10.599
  128   2HB   ARG  12          2HB       ARG  12   9.468   0.336  -9.289
  129   1HG   ARG  12          1HG       ARG  12  10.848  -1.159  -8.357
  130   2HG   ARG  12          2HG       ARG  12   9.434  -2.125  -7.953
  131   1HD   ARG  12          1HD       ARG  12  10.872  -3.618  -9.138
  132   2HD   ARG  12          2HD       ARG  12   9.613  -3.163 -10.281
  133    HE   ARG  12           HE       ARG  12  11.165  -2.138 -11.615
  134   1HH1  ARG  12          2HH2      ARG  12  12.681  -2.644  -8.419
  135   2HH1  ARG  12          1HH2      ARG  12  14.123  -1.791  -8.883
  136   1HH2  ARG  12          2HH1      ARG  12  13.060  -1.320 -12.246
  137   2HH2  ARG  12          1HH1      ARG  12  14.474  -1.222 -11.245
  138    QB   ARG  12           QB       ARG  12   9.329  -0.228  -9.944
  139    QG   ARG  12           QG       ARG  12  10.141  -1.642  -8.155
  140    QD   ARG  12           QD       ARG  12  10.243  -3.390  -9.710
  141    QH1  ARG  12           QH2      ARG  12  13.402  -2.217  -8.651
  142    QH2  ARG  12           QH1      ARG  12  13.767  -1.271 -11.746
  143    H    GLY  13           H        GLY  13   6.190   1.037  -8.014
  144   1HA   GLY  13          1HA       GLY  13   5.378   3.090  -8.665
  145   2HA   GLY  13          2HA       GLY  13   5.905   2.803 -10.329
  146    QA   GLY  13           QA       GLY  13   5.642   2.947  -9.497
  147    H    ALA  14           H        ALA  14   4.682   0.382 -10.834
  148    HA   ALA  14           HA       ALA  14   2.762  -0.572 -11.643
  149   1HB   ALA  14          3HB       ALA  14   2.544  -0.855  -9.123
  150   2HB   ALA  14          1HB       ALA  14   1.311   0.440  -9.224
  151   3HB   ALA  14          2HB       ALA  14   1.127  -1.060 -10.142
  152    QB   ALA  14           QB       ALA  14   1.661  -0.492  -9.496
  153    H    SER  15           H        SER  15   0.164  -0.019 -11.798
  154    HA   SER  15           HA       SER  15  -0.183   2.798 -12.562
  155   1HB   SER  15          1HB       SER  15  -1.477   1.991 -14.612
  156   2HB   SER  15          2HB       SER  15   0.286   1.962 -14.690
  157    HG   SER  15           HG       SER  15   0.237  -0.280 -14.237
  158    QB   SER  15           QB       SER  15  -0.596   1.977 -14.651
  159    H    ASP  16           H        ASP  16  -2.521   3.315 -12.721
  160    HA   ASP  16           HA       ASP  16  -3.461   3.095 -10.226
  161   1HB   ASP  16          1HB       ASP  16  -5.262   4.391 -10.891
  162   2HB   ASP  16          2HB       ASP  16  -4.132   4.688 -12.193
  163    QB   ASP  16           QB       ASP  16  -4.697   4.540 -11.542
  164    H    GLU  17           H        GLU  17  -4.263   0.786 -12.790
  165    HA   GLU  17           HA       GLU  17  -6.548  -0.332 -11.331
  166   1HB   GLU  17          1HB       GLU  17  -6.376  -0.287 -13.812
  167   2HB   GLU  17          2HB       GLU  17  -5.001  -1.411 -13.723
  168   1HG   GLU  17          1HG       GLU  17  -6.499  -3.073 -12.567
  169   2HG   GLU  17          2HG       GLU  17  -7.845  -1.938 -12.736
  170    QB   GLU  17           QB       GLU  17  -5.688  -0.849 -13.768
  171    QG   GLU  17           QG       GLU  17  -7.172  -2.506 -12.652
  172    H    GLU  18           H        GLU  18  -3.068  -0.844 -11.440
  173    HA   GLU  18           HA       GLU  18  -3.096  -3.545 -10.323
  174   1HB   GLU  18          1HB       GLU  18  -1.119  -1.826 -11.560
  175   2HB   GLU  18          2HB       GLU  18  -0.729  -1.931  -9.852
  176   1HG   GLU  18          1HG       GLU  18  -0.802  -4.425  -9.982
  177   2HG   GLU  18          2HG       GLU  18  -1.086  -4.296 -11.719
  178    QB   GLU  18           QB       GLU  18  -0.924  -1.878 -10.706
  179    QG   GLU  18           QG       GLU  18  -0.944  -4.360 -10.851
  180    H    ILE  19           H        ILE  19  -2.757  -0.101  -9.438
  181    HA   ILE  19           HA       ILE  19  -2.200  -0.399  -6.752
  182    HB   ILE  19           HB       ILE  19  -3.913   1.790  -7.992
  183   1HG1  ILE  19          1HG1      ILE  19  -1.772   1.758  -9.123
  184   2HG1  ILE  19          2HG1      ILE  19  -2.009   3.213  -8.197
  185   1HG2  ILE  19          3HG2      ILE  19  -2.449   1.836  -5.360
  186   2HG2  ILE  19          1HG2      ILE  19  -3.237   3.231  -6.127
  187   3HG2  ILE  19          2HG2      ILE  19  -4.201   1.855  -5.609
  188   1HD1  ILE  19          2HD1      ILE  19  -0.271   0.864  -7.356
  189   2HD1  ILE  19          3HD1      ILE  19   0.288   2.378  -8.103
  190   3HD1  ILE  19          1HD1      ILE  19  -0.451   2.424  -6.495
  191    QG1  ILE  19           QG1      ILE  19  -1.890   2.485  -8.660
  192    QG2  ILE  19           QG2      ILE  19  -3.296   2.307  -5.699
  193    QD1  ILE  19           QD1      ILE  19  -0.145   1.888  -7.318
  194    H    LYS  20           H        LYS  20  -5.424   0.234  -8.190
  195    HA   LYS  20           HA       LYS  20  -6.996  -0.318  -5.956
  196   1HB   LYS  20          1HB       LYS  20  -7.544  -0.625  -8.934
  197   2HB   LYS  20          2HB       LYS  20  -8.805  -0.848  -7.715
  198   1HG   LYS  20          1HG       LYS  20  -7.142   1.678  -7.864
  199   2HG   LYS  20          2HG       LYS  20  -8.592   1.468  -8.844
  200   1HD   LYS  20          1HD       LYS  20 -10.034   1.497  -6.990
  201   2HD   LYS  20          2HD       LYS  20  -8.765   1.024  -5.856
  202   1HE   LYS  20          1HE       LYS  20  -9.341   3.357  -5.516
  203   2HE   LYS  20          2HE       LYS  20  -7.665   3.181  -6.044
  204   1HZ   LYS  20          2HZ       LYS  20  -8.447   3.780  -8.305
  205   2HZ   LYS  20          3HZ       LYS  20  -9.938   4.095  -7.697
  206   3HZ   LYS  20          1HZ       LYS  20  -8.606   4.958  -7.204
  207    QB   LYS  20           QB       LYS  20  -8.175  -0.736  -8.325
  208    QG   LYS  20           QG       LYS  20  -7.867   1.573  -8.354
  209    QD   LYS  20           QD       LYS  20  -9.399   1.261  -6.423
  210    QE   LYS  20           QE       LYS  20  -8.503   3.269  -5.780
  211    QZ   LYS  20           QZ       LYS  20  -8.997   4.277  -7.735
  212    H    ARG  21           H        ARG  21  -5.903  -2.673  -8.486
  213    HA   ARG  21           HA       ARG  21  -7.542  -4.750  -7.493
  214   1HB   ARG  21          1HB       ARG  21  -6.138  -4.555  -9.733
  215   2HB   ARG  21          2HB       ARG  21  -4.874  -5.328  -8.817
  216   1HG   ARG  21          1HG       ARG  21  -5.998  -7.086  -9.921
  217   2HG   ARG  21          2HG       ARG  21  -6.643  -7.158  -8.285
  218   1HD   ARG  21          1HD       ARG  21  -8.480  -7.447  -9.770
  219   2HD   ARG  21          2HD       ARG  21  -8.649  -5.821  -9.102
  220    HE   ARG  21           HE       ARG  21  -7.185  -5.833 -11.608
  221   1HH1  ARG  21          2HH2      ARG  21 -10.519  -6.142 -10.413
  222   2HH1  ARG  21          1HH2      ARG  21 -11.211  -5.273 -11.743
  223   1HH2  ARG  21          2HH1      ARG  21  -8.153  -4.916 -13.507
  224   2HH2  ARG  21          1HH1      ARG  21  -9.849  -4.851 -13.658
  225    QB   ARG  21           QB       ARG  21  -5.506  -4.941  -9.275
  226    QG   ARG  21           QG       ARG  21  -6.320  -7.122  -9.103
  227    QD   ARG  21           QD       ARG  21  -8.564  -6.634  -9.436
  228    QH1  ARG  21           QH2      ARG  21 -10.865  -5.708 -11.078
  229    QH2  ARG  21           QH1      ARG  21  -9.001  -4.883 -13.582
  230    H    ALA  22           H        ALA  22  -4.123  -4.005  -6.837
  231    HA   ALA  22           HA       ALA  22  -3.533  -6.052  -4.980
  232   1HB   ALA  22          3HB       ALA  22  -2.383  -3.259  -5.202
  233   2HB   ALA  22          1HB       ALA  22  -1.693  -4.604  -4.260
  234   3HB   ALA  22          2HB       ALA  22  -1.823  -4.739  -6.019
  235    QB   ALA  22           QB       ALA  22  -1.966  -4.201  -5.161
  236    H    TYR  23           H        TYR  23  -4.520  -2.591  -4.221
  237    HA   TYR  23           HA       TYR  23  -4.616  -2.970  -1.449
  238   1HB   TYR  23          1HB       TYR  23  -4.394  -0.832  -1.785
  239   2HB   TYR  23          2HB       TYR  23  -4.802  -0.904  -3.451
  240    HD1  TYR  23          1HD       TYR  23  -7.491  -1.243  -3.826
  241    HD2  TYR  23          2HD       TYR  23  -5.435   0.992  -0.761
  242    HE1  TYR  23          1HE       TYR  23  -9.508   0.112  -3.510
  243    HE2  TYR  23          2HE       TYR  23  -7.430   2.411  -0.487
  244    HH   TYR  23           HH       TYR  23  -9.675   2.667  -1.014
  245    QB   TYR  23           QB       TYR  23  -4.598  -0.868  -2.618
  246    QG   TYR  23           QD       TYR  23  -6.463  -0.126  -2.294
  247    QZ   TYR  23           QE       TYR  23  -8.469   1.262  -1.998
  248    QR   TYR  23           QR       TYR  23  -7.466   0.568  -2.146
  249    H    ARG  24           H        ARG  24  -7.202  -3.277  -3.891
  250    HA   ARG  24           HA       ARG  24  -9.259  -3.673  -1.938
  251   1HB   ARG  24          1HB       ARG  24  -9.575  -2.799  -4.208
  252   2HB   ARG  24          2HB       ARG  24  -9.043  -4.334  -4.900
  253   1HG   ARG  24          1HG       ARG  24 -11.008  -5.458  -3.999
  254   2HG   ARG  24          2HG       ARG  24 -11.537  -3.943  -3.217
  255   1HD   ARG  24          1HD       ARG  24 -11.834  -2.852  -5.346
  256   2HD   ARG  24          2HD       ARG  24 -11.015  -4.153  -6.215
  257    HE   ARG  24           HE       ARG  24 -13.782  -4.055  -5.354
  258   1HH1  ARG  24          2HH2      ARG  24 -11.115  -6.311  -6.177
  259   2HH1  ARG  24          1HH2      ARG  24 -12.172  -7.509  -6.821
  260   1HH2  ARG  24          2HH1      ARG  24 -15.142  -5.636  -6.153
  261   2HH2  ARG  24          1HH1      ARG  24 -14.576  -7.187  -6.681
  262    QB   ARG  24           QB       ARG  24  -9.309  -3.567  -4.554
  263    QG   ARG  24           QG       ARG  24 -11.272  -4.700  -3.608
  264    QD   ARG  24           QD       ARG  24 -11.424  -3.503  -5.780
  265    QH1  ARG  24           QH2      ARG  24 -11.643  -6.910  -6.499
  266    QH2  ARG  24           QH1      ARG  24 -14.859  -6.412  -6.417
  267    H    ARG  25           H        ARG  25  -6.967  -5.911  -3.503
  268    HA   ARG  25           HA       ARG  25  -8.270  -8.319  -2.535
  269   1HB   ARG  25          1HB       ARG  25  -5.799  -7.650  -3.978
  270   2HB   ARG  25          2HB       ARG  25  -5.431  -8.751  -2.682
  271   1HG   ARG  25          1HG       ARG  25  -7.537  -9.262  -4.823
  272   2HG   ARG  25          2HG       ARG  25  -5.890  -9.891  -4.793
  273   1HD   ARG  25          1HD       ARG  25  -6.702 -11.675  -3.760
  274   2HD   ARG  25          2HD       ARG  25  -6.727 -10.693  -2.306
  275    HE   ARG  25           HE       ARG  25  -8.981 -11.151  -4.214
  276   1HH1  ARG  25          2HH2      ARG  25  -8.063 -10.439  -0.829
  277   2HH1  ARG  25          1HH2      ARG  25  -9.454 -11.224  -0.155
  278   1HH2  ARG  25          2HH1      ARG  25 -10.975 -11.786  -3.327
  279   2HH2  ARG  25          1HH1      ARG  25 -11.262 -11.818  -1.614
  280    QB   ARG  25           QB       ARG  25  -5.615  -8.200  -3.330
  281    QG   ARG  25           QG       ARG  25  -6.713  -9.576  -4.808
  282    QD   ARG  25           QD       ARG  25  -6.715 -11.184  -3.033
  283    QH1  ARG  25           QH2      ARG  25  -8.758 -10.831  -0.492
  284    QH2  ARG  25           QH1      ARG  25 -11.118 -11.802  -2.471
  285    H    GLN  26           H        GLN  26  -5.492  -6.334  -1.398
  286    HA   GLN  26           HA       GLN  26  -5.010  -8.047   0.783
  287   1HB   GLN  26          1HB       GLN  26  -3.752  -5.743  -0.468
  288   2HB   GLN  26          2HB       GLN  26  -3.803  -5.467   1.240
  289   1HG   GLN  26          1HG       GLN  26  -1.744  -6.659   0.663
  290   2HG   GLN  26          2HG       GLN  26  -2.770  -7.715   1.637
  291   1HE2  GLN  26          2HE2      GLN  26  -2.015  -8.646  -2.320
  292   2HE2  GLN  26          1HE2      GLN  26  -1.631  -7.070  -1.680
  293    QB   GLN  26           QB       GLN  26  -3.778  -5.605   0.386
  294    QG   GLN  26           QG       GLN  26  -2.257  -7.187   1.150
  295    QE2  GLN  26           QE2      GLN  26  -1.823  -7.858  -2.000
  296    H    ALA  27           H        ALA  27  -6.938  -5.013   0.671
  297    HA   ALA  27           HA       ALA  27  -7.373  -4.796   3.465
  298   1HB   ALA  27          2HB       ALA  27  -9.211  -4.233   1.083
  299   2HB   ALA  27          3HB       ALA  27  -9.641  -3.870   2.768
  300   3HB   ALA  27          1HB       ALA  27  -8.250  -3.077   2.035
  301    QB   ALA  27           QB       ALA  27  -9.034  -3.726   1.962
  302    H    LEU  28           H        LEU  28  -9.381  -6.537   1.027
  303    HA   LEU  28           HA       LEU  28 -11.122  -7.714   2.880
  304   1HB   LEU  28          1HB       LEU  28 -10.797  -7.633   0.066
  305   2HB   LEU  28          2HB       LEU  28 -10.735  -9.326   0.445
  306    HG   LEU  28           HG       LEU  28 -12.969  -8.688  -0.136
  307   1HD1  LEU  28          3HD1      LEU  28 -12.784 -10.397   1.636
  308   2HD1  LEU  28          1HD1      LEU  28 -12.955  -9.124   2.869
  309   3HD1  LEU  28          2HD1      LEU  28 -14.279  -9.453   1.730
  310   1HD2  LEU  28          2HD2      LEU  28 -12.794  -6.277   0.474
  311   2HD2  LEU  28          3HD2      LEU  28 -14.295  -7.037   1.019
  312   3HD2  LEU  28          1HD2      LEU  28 -12.999  -6.710   2.181
  313    QB   LEU  28           QB       LEU  28 -10.766  -8.480   0.255
  314    QD1  LEU  28           QD1      LEU  28 -13.339  -9.658   2.078
  315    QD2  LEU  28           QD2      LEU  28 -13.363  -6.674   1.225
  316    QQD  LEU  28           QQD      LEU  28 -13.351  -8.166   1.652
  317    H    ARG  29           H        ARG  29  -7.892  -8.805   1.953
  318    HA   ARG  29           HA       ARG  29  -8.058 -11.493   2.865
  319   1HB   ARG  29          1HB       ARG  29  -6.387 -10.452   1.314
  320   2HB   ARG  29          2HB       ARG  29  -5.742  -9.521   2.667
  321   1HG   ARG  29          1HG       ARG  29  -5.065 -11.616   3.796
  322   2HG   ARG  29          2HG       ARG  29  -5.792 -12.508   2.425
  323   1HD   ARG  29          1HD       ARG  29  -4.211 -11.599   0.867
  324   2HD   ARG  29          2HD       ARG  29  -3.661 -10.387   2.038
  325    HE   ARG  29           HE       ARG  29  -3.115 -12.951   3.109
  326   1HH1  ARG  29          2HH2      ARG  29  -2.076 -10.904   0.365
  327   2HH1  ARG  29          1HH2      ARG  29  -0.480 -11.609   0.324
  328   1HH2  ARG  29          2HH1      ARG  29  -0.937 -13.662   3.164
  329   2HH2  ARG  29          1HH1      ARG  29   0.235 -12.925   2.086
  330    QB   ARG  29           QB       ARG  29  -6.065  -9.987   1.990
  331    QG   ARG  29           QG       ARG  29  -5.428 -12.062   3.111
  332    QD   ARG  29           QD       ARG  29  -3.936 -10.993   1.452
  333    QH1  ARG  29           QH2      ARG  29  -1.278 -11.256   0.345
  334    QH2  ARG  29           QH1      ARG  29  -0.351 -13.293   2.625
  335    H    TYR  30           H        TYR  30  -7.479  -8.392   4.577
  336    HA   TYR  30           HA       TYR  30  -6.865  -9.937   7.075
  337   1HB   TYR  30          1HB       TYR  30  -5.861  -7.315   5.957
  338   2HB   TYR  30          2HB       TYR  30  -5.733  -7.702   7.668
  339    HD1  TYR  30          2HD       TYR  30  -4.347  -9.485   8.495
  340    HD2  TYR  30          1HD       TYR  30  -4.501  -8.580   4.307
  341    HE1  TYR  30          2HE       TYR  30  -2.254 -10.774   8.167
  342    HE2  TYR  30          1HE       TYR  30  -2.391  -9.836   3.945
  343    HH   TYR  30           HH       TYR  30  -0.577 -10.774   5.027
  344    QB   TYR  30           QB       TYR  30  -5.797  -7.508   6.813
  345    QG   TYR  30           QD       TYR  30  -4.424  -9.032   6.401
  346    QZ   TYR  30           QE       TYR  30  -2.322 -10.305   6.056
  347    QR   TYR  30           QR       TYR  30  -3.373  -9.669   6.228
  348    H    HIS  31           H        HIS  31  -9.107  -7.754   5.695
  349    HA   HIS  31           HA       HIS  31  -9.737  -5.902   7.354
  350   1HB   HIS  31          1HB       HIS  31 -10.922  -6.825   5.210
  351   2HB   HIS  31          2HB       HIS  31 -12.018  -7.605   6.312
  352    HD1  HIS  31          1HD       HIS  31 -12.036  -4.538   8.152
  353    HD2  HIS  31          2HD       HIS  31 -12.799  -5.475   4.113
  354    HE1  HIS  31          1HE       HIS  31 -13.587  -2.786   7.307
  355    QB   HIS  31           QB       HIS  31 -11.470  -7.215   5.761
  356    HA   PRO  32           HA       PRO  32 -11.226  -7.760  11.289
  357   1HB   PRO  32          1HB       PRO  32 -12.431  -5.482  12.299
  358   2HB   PRO  32          2HB       PRO  32 -10.693  -5.887  12.474
  359   1HG   PRO  32          1HG       PRO  32 -12.019  -4.075  10.447
  360   2HG   PRO  32          2HG       PRO  32 -10.517  -3.786  11.389
  361   1HD   PRO  32          1HD       PRO  32 -10.440  -4.626   8.831
  362   2HD   PRO  32          2HD       PRO  32  -9.285  -5.281  10.031
  363    QB   PRO  32           QB       PRO  32 -11.562  -5.685  12.386
  364    QG   PRO  32           QG       PRO  32 -11.268  -3.931  10.918
  365    QD   PRO  32           QD       PRO  32  -9.863  -4.953   9.431
  366    H    ASP  33           H        ASP  33 -12.949  -6.308   8.627
  367    HA   ASP  33           HA       ASP  33 -15.515  -7.191   9.665
  368   1HB   ASP  33          1HB       ASP  33 -15.025  -4.870   8.658
  369   2HB   ASP  33          2HB       ASP  33 -15.039  -5.701   7.092
  370    QB   ASP  33           QB       ASP  33 -15.032  -5.286   7.875
  371    H    LYS  34           H        LYS  34 -13.131  -8.840   8.247
  372    HA   LYS  34           HA       LYS  34 -15.078 -10.703   7.029
  373   1HB   LYS  34          1HB       LYS  34 -14.270  -9.584   5.049
  374   2HB   LYS  34          2HB       LYS  34 -12.607  -9.661   5.599
  375   1HG   LYS  34          1HG       LYS  34 -12.769 -11.324   3.907
  376   2HG   LYS  34          2HG       LYS  34 -12.609 -12.171   5.420
  377   1HD   LYS  34          1HD       LYS  34 -14.311 -13.337   4.272
  378   2HD   LYS  34          2HD       LYS  34 -15.213 -12.338   5.421
  379   1HE   LYS  34          1HE       LYS  34 -15.393 -10.582   3.552
  380   2HE   LYS  34          2HE       LYS  34 -14.693 -11.790   2.461
  381   1HZ   LYS  34          3HZ       LYS  34 -16.637 -13.216   3.062
  382   2HZ   LYS  34          1HZ       LYS  34 -17.279 -11.893   3.849
  383   3HZ   LYS  34          2HZ       LYS  34 -16.971 -11.859   2.236
  384    QB   LYS  34           QB       LYS  34 -13.439  -9.622   5.324
  385    QG   LYS  34           QG       LYS  34 -12.689 -11.747   4.663
  386    QD   LYS  34           QD       LYS  34 -14.762 -12.838   4.846
  387    QE   LYS  34           QE       LYS  34 -15.043 -11.186   3.007
  388    QZ   LYS  34           QZ       LYS  34 -16.962 -12.323   3.049
  389    H    ASN  35           H        ASN  35 -11.535 -10.319   7.586
  390    HA   ASN  35           HA       ASN  35 -11.219 -13.184   8.227
  391   1HB   ASN  35          1HB       ASN  35  -9.545 -11.833   6.913
  392   2HB   ASN  35          2HB       ASN  35  -9.239 -10.871   8.363
  393   1HD2  ASN  35          2HD2      ASN  35  -6.445 -13.259   8.127
  394   2HD2  ASN  35          1HD2      ASN  35  -7.168 -12.147   6.994
  395    QB   ASN  35           QB       ASN  35  -9.392 -11.352   7.638
  396    QD2  ASN  35           QD2      ASN  35  -6.806 -12.703   7.560
  397    H    LYS  36           H        LYS  36 -11.907 -10.160   9.750
  398    HA   LYS  36           HA       LYS  36 -12.405  -9.541  11.804
  399   1HB   LYS  36          1HB       LYS  36 -13.141 -12.349  11.811
  400   2HB   LYS  36          2HB       LYS  36 -12.691 -11.847  13.425
  401   1HG   LYS  36          1HG       LYS  36 -14.644 -10.279  11.694
  402   2HG   LYS  36          2HG       LYS  36 -15.136 -11.625  12.723
  403   1HD   LYS  36          1HD       LYS  36 -14.355 -10.536  14.719
  404   2HD   LYS  36          2HD       LYS  36 -13.708  -9.161  13.812
  405   1HE   LYS  36          1HE       LYS  36 -16.616  -9.938  13.500
  406   2HE   LYS  36          2HE       LYS  36 -16.122  -9.041  14.939
  407   1HZ   LYS  36          1HZ       LYS  36 -15.298  -7.996  12.339
  408   2HZ   LYS  36          2HZ       LYS  36 -16.863  -7.837  12.810
  409   3HZ   LYS  36          3HZ       LYS  36 -15.655  -7.202  13.736
  410    QB   LYS  36           QB       LYS  36 -12.916 -12.098  12.618
  411    QG   LYS  36           QG       LYS  36 -14.890 -10.952  12.209
  412    QD   LYS  36           QD       LYS  36 -14.032  -9.848  14.265
  413    QE   LYS  36           QE       LYS  36 -16.369  -9.489  14.220
  414    QZ   LYS  36           QZ       LYS  36 -15.938  -7.678  12.962
  415    H    GLU  37           H        GLU  37  -9.701  -9.713  10.926
  416    HA   GLU  37           HA       GLU  37  -7.584  -9.689  11.563
  417   1HB   GLU  37          1HB       GLU  37  -8.866  -7.567  11.732
  418   2HB   GLU  37          2HB       GLU  37  -9.107  -7.892  13.444
  419   1HG   GLU  37          1HG       GLU  37  -6.441  -8.073  13.365
  420   2HG   GLU  37          2HG       GLU  37  -6.629  -7.068  11.933
  421    QB   GLU  37           QB       GLU  37  -8.987  -7.730  12.588
  422    QG   GLU  37           QG       GLU  37  -6.535  -7.571  12.649
  423    HA   PRO  38           HA       PRO  38  -8.464 -12.419  15.173
  424   1HB   PRO  38          1HB       PRO  38  -7.807 -14.883  14.304
  425   2HB   PRO  38          2HB       PRO  38  -9.128 -13.924  13.561
  426   1HG   PRO  38          1HG       PRO  38  -6.276 -14.065  12.544
  427   2HG   PRO  38          2HG       PRO  38  -7.778 -14.515  11.661
  428   1HD   PRO  38          1HD       PRO  38  -6.730 -12.003  11.507
  429   2HD   PRO  38          2HD       PRO  38  -8.490 -12.283  11.536
  430    QB   PRO  38           QB       PRO  38  -8.467 -14.404  13.932
  431    QG   PRO  38           QG       PRO  38  -7.027 -14.290  12.102
  432    QD   PRO  38           QD       PRO  38  -7.610 -12.143  11.521
  433    H    GLY  39           H        GLY  39  -5.817 -11.574  14.082
  434   1HA   GLY  39          1HA       GLY  39  -3.939 -11.540  16.155
  435   2HA   GLY  39          2HA       GLY  39  -3.680 -13.132  15.390
  436    QA   GLY  39           QA       GLY  39  -3.810 -12.336  15.773
  437    H    ALA  40           H        ALA  40  -4.331  -9.764  14.408
  438    HA   ALA  40           HA       ALA  40  -2.422  -9.857  12.135
  439   1HB   ALA  40          3HB       ALA  40  -4.572 -11.101  11.543
  440   2HB   ALA  40          1HB       ALA  40  -5.425  -9.566  11.816
  441   3HB   ALA  40          2HB       ALA  40  -4.192  -9.682  10.559
  442    QB   ALA  40           QB       ALA  40  -4.730 -10.116  11.306
  443    H    GLU  41           H        GLU  41  -3.482  -7.951  14.695
  444    HA   GLU  41           HA       GLU  41  -4.558  -5.726  13.239
  445   1HB   GLU  41          1HB       GLU  41  -5.107  -6.062  15.550
  446   2HB   GLU  41          2HB       GLU  41  -3.423  -5.948  16.038
  447   1HG   GLU  41          1HG       GLU  41  -3.311  -3.601  15.446
  448   2HG   GLU  41          2HG       GLU  41  -4.889  -3.672  14.645
  449    QB   GLU  41           QB       GLU  41  -4.265  -6.005  15.794
  450    QG   GLU  41           QG       GLU  41  -4.100  -3.636  15.046
  451    H    GLU  42           H        GLU  42  -1.304  -6.353  14.578
  452    HA   GLU  42           HA       GLU  42  -0.026  -4.047  13.517
  453   1HB   GLU  42          1HB       GLU  42   1.202  -5.585  14.929
  454   2HB   GLU  42          2HB       GLU  42   1.086  -6.880  13.741
  455   1HG   GLU  42          1HG       GLU  42   2.272  -4.420  12.583
  456   2HG   GLU  42          2HG       GLU  42   3.118  -4.929  14.015
  457    QB   GLU  42           QB       GLU  42   1.144  -6.232  14.335
  458    QG   GLU  42           QG       GLU  42   2.695  -4.674  13.299
  459    H    LYS  43           H        LYS  43  -0.657  -7.215  12.037
  460    HA   LYS  43           HA       LYS  43   0.593  -6.661   9.634
  461   1HB   LYS  43          1HB       LYS  43  -0.938  -8.797  10.872
  462   2HB   LYS  43          2HB       LYS  43  -1.450  -8.680   9.227
  463   1HG   LYS  43          1HG       LYS  43   1.400  -8.910  10.299
  464   2HG   LYS  43          2HG       LYS  43   0.487 -10.216   9.561
  465   1HD   LYS  43          1HD       LYS  43   0.865  -9.510   7.418
  466   2HD   LYS  43          2HD       LYS  43   0.933  -7.796   7.806
  467   1HE   LYS  43          1HE       LYS  43   3.076  -9.754   8.712
  468   2HE   LYS  43          2HE       LYS  43   3.135  -8.954   7.137
  469   1HZ   LYS  43          3HZ       LYS  43   3.032  -7.411   9.680
  470   2HZ   LYS  43          1HZ       LYS  43   4.408  -7.864   8.913
  471   3HZ   LYS  43          2HZ       LYS  43   3.411  -6.870   8.141
  472    QB   LYS  43           QB       LYS  43  -1.194  -8.738  10.050
  473    QG   LYS  43           QG       LYS  43   0.944  -9.563   9.930
  474    QD   LYS  43           QD       LYS  43   0.899  -8.653   7.612
  475    QE   LYS  43           QE       LYS  43   3.106  -9.354   7.925
  476    QZ   LYS  43           QZ       LYS  43   3.617  -7.381   8.912
  477    H    PHE  44           H        PHE  44  -2.739  -6.039  10.598
  478    HA   PHE  44           HA       PHE  44  -3.666  -5.253   8.003
  479   1HB   PHE  44          1HB       PHE  44  -5.170  -5.943   9.871
  480   2HB   PHE  44          2HB       PHE  44  -4.710  -4.509  10.774
  481    HD1  PHE  44          1HD       PHE  44  -5.813  -5.308   7.245
  482    HD2  PHE  44          2HD       PHE  44  -6.259  -2.724  10.671
  483    HE1  PHE  44          1HE       PHE  44  -7.316  -3.872   5.946
  484    HE2  PHE  44          2HE       PHE  44  -7.803  -1.287   9.370
  485   1HZ   PHE  44           HZ       PHE  44  -8.314  -1.820   7.008
  486    QB   PHE  44           QB       PHE  44  -4.940  -5.226  10.323
  487    QG   PHE  44           QD       PHE  44  -6.036  -4.016   8.958
  488    QZ   PHE  44           QE       PHE  44  -7.559  -2.579   7.658
  489    QZ   PHE  44           QR       PHE  44  -7.101  -3.002   8.048
  490    H    LYS  45           H        LYS  45  -2.433  -3.395  10.872
  491    HA   LYS  45           HA       LYS  45  -2.544  -0.951   9.373
  492   1HB   LYS  45          1HB       LYS  45  -1.420   0.166  11.057
  493   2HB   LYS  45          2HB       LYS  45  -2.617  -0.895  11.785
  494   1HG   LYS  45          1HG       LYS  45  -0.985  -2.393  12.602
  495   2HG   LYS  45          2HG       LYS  45   0.327  -1.682  11.646
  496   1HD   LYS  45          1HD       LYS  45  -1.224  -0.165  13.775
  497   2HD   LYS  45          2HD       LYS  45   0.271  -1.048  14.116
  498   1HE   LYS  45          1HE       LYS  45   1.528   0.321  12.524
  499   2HE   LYS  45          2HE       LYS  45   0.050   1.118  11.987
  500   1HZ   LYS  45          3HZ       LYS  45  -0.178   1.897  14.350
  501   2HZ   LYS  45          1HZ       LYS  45   1.367   1.449  14.594
  502   3HZ   LYS  45          2HZ       LYS  45   1.015   2.581  13.435
  503    QB   LYS  45           QB       LYS  45  -2.018  -0.364  11.421
  504    QG   LYS  45           QG       LYS  45  -0.329  -2.038  12.124
  505    QD   LYS  45           QD       LYS  45  -0.477  -0.607  13.946
  506    QE   LYS  45           QE       LYS  45   0.789   0.720  12.255
  507    QZ   LYS  45           QZ       LYS  45   0.734   1.976  14.126
  508    H    GLU  46           H        GLU  46  -0.231  -3.521   9.389
  509    HA   GLU  46           HA       GLU  46   1.920  -2.128   8.283
  510   1HB   GLU  46          1HB       GLU  46   1.381  -4.734   9.071
  511   2HB   GLU  46          2HB       GLU  46   1.731  -4.930   7.380
  512   1HG   GLU  46          1HG       GLU  46   3.577  -3.218   9.078
  513   2HG   GLU  46          2HG       GLU  46   3.560  -4.945   9.358
  514    QB   GLU  46           QB       GLU  46   1.556  -4.832   8.226
  515    QG   GLU  46           QG       GLU  46   3.569  -4.082   9.218
  516    H    ILE  47           H        ILE  47  -0.734  -3.992   6.781
  517    HA   ILE  47           HA       ILE  47  -0.277  -3.155   4.081
  518    HB   ILE  47           HB       ILE  47  -2.837  -3.926   5.557
  519   1HG1  ILE  47          1HG1      ILE  47  -1.185  -5.245   3.351
  520   2HG1  ILE  47          2HG1      ILE  47  -1.113  -5.670   5.066
  521   1HG2  ILE  47          1HG2      ILE  47  -3.481  -2.293   3.799
  522   2HG2  ILE  47          2HG2      ILE  47  -2.607  -3.262   2.595
  523   3HG2  ILE  47          3HG2      ILE  47  -4.050  -3.888   3.426
  524   1HD1  ILE  47          1HD1      ILE  47  -3.517  -6.277   5.014
  525   2HD1  ILE  47          2HD1      ILE  47  -3.557  -5.952   3.284
  526   3HD1  ILE  47          3HD1      ILE  47  -2.516  -7.230   3.874
  527    QG1  ILE  47           QG1      ILE  47  -1.149  -5.457   4.208
  528    QG2  ILE  47           QG2      ILE  47  -3.379  -3.147   3.273
  529    QD1  ILE  47           QD1      ILE  47  -3.197  -6.486   4.058
  530    H    ALA  48           H        ALA  48  -1.948  -1.542   6.847
  531    HA   ALA  48           HA       ALA  48  -3.293   0.358   5.318
  532   1HB   ALA  48          2HB       ALA  48  -3.760  -0.066   7.726
  533   2HB   ALA  48          3HB       ALA  48  -2.263   0.830   8.135
  534   3HB   ALA  48          1HB       ALA  48  -3.594   1.648   7.332
  535    QB   ALA  48           QB       ALA  48  -3.206   0.804   7.731
  536    H    GLU  49           H        GLU  49   0.031   0.369   6.437
  537    HA   GLU  49           HA       GLU  49   0.507   3.208   5.956
  538   1HB   GLU  49          1HB       GLU  49   1.923   1.563   7.427
  539   2HB   GLU  49          2HB       GLU  49   2.665   1.056   5.916
  540   1HG   GLU  49          1HG       GLU  49   4.031   2.760   7.005
  541   2HG   GLU  49          2HG       GLU  49   3.378   3.412   5.497
  542    QB   GLU  49           QB       GLU  49   2.294   1.309   6.672
  543    QG   GLU  49           QG       GLU  49   3.704   3.086   6.251
  544    H    ALA  50           H        ALA  50   1.099   0.205   4.110
  545    HA   ALA  50           HA       ALA  50   2.288   1.626   1.861
  546   1HB   ALA  50          2HB       ALA  50   1.151  -1.212   2.128
  547   2HB   ALA  50          3HB       ALA  50   2.070  -0.600   0.741
  548   3HB   ALA  50          1HB       ALA  50   2.855  -0.745   2.334
  549    QB   ALA  50           QB       ALA  50   2.026  -0.852   1.734
  550    H    TYR  51           H        TYR  51  -0.872   0.444   2.776
  551    HA   TYR  51           HA       TYR  51  -2.295   0.748   0.316
  552   1HB   TYR  51          1HB       TYR  51  -2.784  -0.708   2.233
  553   2HB   TYR  51          2HB       TYR  51  -3.077   0.699   3.245
  554    HD1  TYR  51          2HD       TYR  51  -5.089   2.153   2.801
  555    HD2  TYR  51          1HD       TYR  51  -4.495  -1.749   1.027
  556    HE1  TYR  51          2HE       TYR  51  -7.499   1.946   2.463
  557    HE2  TYR  51          1HE       TYR  51  -6.942  -1.951   0.689
  558    HH   TYR  51           HH       TYR  51  -9.220   0.599   1.757
  559    QB   TYR  51           QB       TYR  51  -2.930  -0.005   2.739
  560    QG   TYR  51           QD       TYR  51  -4.792   0.202   1.914
  561    QZ   TYR  51           QE       TYR  51  -7.221  -0.002   1.576
  562    QR   TYR  51           QR       TYR  51  -6.006   0.100   1.745
  563    H    ASP  52           H        ASP  52  -1.705   2.907   3.118
  564    HA   ASP  52           HA       ASP  52  -3.300   5.128   2.369
  565   1HB   ASP  52          1HB       ASP  52  -2.243   4.758   4.569
  566   2HB   ASP  52          2HB       ASP  52  -0.650   4.987   3.866
  567    QB   ASP  52           QB       ASP  52  -1.447   4.873   4.217
  568    H    VAL  53           H        VAL  53   0.146   4.325   1.710
  569    HA   VAL  53           HA       VAL  53   0.700   6.584   0.032
  570    HB   VAL  53           HB       VAL  53   1.876   3.773   0.272
  571   1HG1  VAL  53          3HG1      VAL  53   2.987   6.021  -1.430
  572   2HG1  VAL  53          1HG1      VAL  53   3.824   4.501  -1.020
  573   3HG1  VAL  53          2HG1      VAL  53   2.373   4.452  -2.011
  574   1HG2  VAL  53          2HG2      VAL  53   2.166   5.340   2.190
  575   2HG2  VAL  53          3HG2      VAL  53   3.672   4.823   1.427
  576   3HG2  VAL  53          1HG2      VAL  53   3.019   6.445   1.092
  577    QG1  VAL  53           QG1      VAL  53   3.061   4.991  -1.487
  578    QG2  VAL  53           QG2      VAL  53   2.952   5.536   1.570
  579    QQG  VAL  53           QQG      VAL  53   3.007   5.264   0.041
  580    H    LEU  54           H        LEU  54  -0.312   3.224  -0.714
  581    HA   LEU  54           HA       LEU  54  -0.671   3.704  -3.522
  582   1HB   LEU  54          1HB       LEU  54  -1.294   1.384  -1.667
  583   2HB   LEU  54          2HB       LEU  54  -1.392   1.330  -3.415
  584    HG   LEU  54           HG       LEU  54   1.220   2.129  -2.083
  585   1HD1  LEU  54          2HD1      LEU  54   0.562  -0.107  -1.217
  586   2HD1  LEU  54          3HD1      LEU  54   0.491  -0.683  -2.897
  587   3HD1  LEU  54          1HD1      LEU  54   2.018  -0.100  -2.196
  588   1HD2  LEU  54          3HD2      LEU  54   0.553   0.962  -4.807
  589   2HD2  LEU  54          1HD2      LEU  54   1.051   2.639  -4.465
  590   3HD2  LEU  54          2HD2      LEU  54   2.170   1.309  -4.172
  591    QB   LEU  54           QB       LEU  54  -1.343   1.357  -2.541
  592    QD1  LEU  54           QD1      LEU  54   1.024  -0.297  -2.103
  593    QD2  LEU  54           QD2      LEU  54   1.258   1.636  -4.481
  594    QQD  LEU  54           QQD      LEU  54   1.141   0.670  -3.292
  595    H    SER  55           H        SER  55  -2.261   5.376  -1.576
  596    HA   SER  55           HA       SER  55  -4.458   5.410  -3.464
  597   1HB   SER  55          1HB       SER  55  -6.127   5.844  -1.655
  598   2HB   SER  55          2HB       SER  55  -5.548   4.188  -1.770
  599    HG   SER  55           HG       SER  55  -4.185   4.504  -0.032
  600    QB   SER  55           QB       SER  55  -5.837   5.016  -1.712
  601    H    ASP  56           H        ASP  56  -1.875   7.000  -2.045
  602    HA   ASP  56           HA       ASP  56  -3.183   9.669  -2.119
  603   1HB   ASP  56          1HB       ASP  56  -2.611   9.048   0.115
  604   2HB   ASP  56          2HB       ASP  56  -0.972   8.599  -0.364
  605    QB   ASP  56           QB       ASP  56  -1.792   8.823  -0.124
  606    HA   PRO  57           HA       PRO  57  -0.137   9.621  -5.501
  607   1HB   PRO  57          1HB       PRO  57  -1.036  11.818  -6.878
  608   2HB   PRO  57          2HB       PRO  57  -1.742  10.173  -6.996
  609   1HG   PRO  57          1HG       PRO  57  -2.685  12.527  -5.359
  610   2HG   PRO  57          2HG       PRO  57  -3.661  11.398  -6.349
  611   1HD   PRO  57          1HD       PRO  57  -3.406  11.140  -3.644
  612   2HD   PRO  57          2HD       PRO  57  -3.549   9.716  -4.719
  613    QB   PRO  57           QB       PRO  57  -1.389  10.995  -6.937
  614    QG   PRO  57           QG       PRO  57  -3.173  11.962  -5.854
  615    QD   PRO  57           QD       PRO  57  -3.478  10.428  -4.181
  616    H    ARG  58           H        ARG  58  -0.727  12.345  -3.249
  617    HA   ARG  58           HA       ARG  58   1.711  13.797  -4.128
  618   1HB   ARG  58          1HB       ARG  58  -0.185  14.056  -1.745
  619   2HB   ARG  58          2HB       ARG  58   1.344  14.888  -1.789
  620   1HG   ARG  58          1HG       ARG  58  -1.009  15.297  -3.642
  621   2HG   ARG  58          2HG       ARG  58  -0.401  16.388  -2.425
  622   1HD   ARG  58          1HD       ARG  58   0.499  15.912  -5.215
  623   2HD   ARG  58          2HD       ARG  58   0.324  17.425  -4.343
  624    HE   ARG  58           HE       ARG  58   2.654  16.162  -4.962
  625   1HH1  ARG  58          2HH2      ARG  58   1.425  17.481  -1.815
  626   2HH1  ARG  58          1HH2      ARG  58   3.039  17.424  -1.149
  627   1HH2  ARG  58          2HH1      ARG  58   4.697  16.518  -4.075
  628   2HH2  ARG  58          1HH1      ARG  58   4.837  16.954  -2.382
  629    QB   ARG  58           QB       ARG  58   0.580  14.472  -1.767
  630    QG   ARG  58           QG       ARG  58  -0.705  15.843  -3.033
  631    QD   ARG  58           QD       ARG  58   0.412  16.668  -4.779
  632    QH1  ARG  58           QH2      ARG  58   2.232  17.452  -1.482
  633    QH2  ARG  58           QH1      ARG  58   4.767  16.736  -3.228
  634    H    LYS  59           H        LYS  59   0.742  11.512  -1.518
  635    HA   LYS  59           HA       LYS  59   3.412  11.620  -0.383
  636   1HB   LYS  59          1HB       LYS  59   1.406  11.004   0.879
  637   2HB   LYS  59          2HB       LYS  59   1.262   9.489  -0.041
  638   1HG   LYS  59          1HG       LYS  59   3.263   8.625   0.924
  639   2HG   LYS  59          2HG       LYS  59   3.775  10.212   1.494
  640   1HD   LYS  59          1HD       LYS  59   2.973   8.706   3.308
  641   2HD   LYS  59          2HD       LYS  59   2.175  10.265   3.249
  642   1HE   LYS  59          1HE       LYS  59   0.815   8.027   1.773
  643   2HE   LYS  59          2HE       LYS  59   0.943   7.849   3.529
  644   1HZ   LYS  59          2HZ       LYS  59  -0.078  10.017   3.778
  645   2HZ   LYS  59          3HZ       LYS  59  -0.340  10.129   2.149
  646   3HZ   LYS  59          1HZ       LYS  59  -1.056   8.937   3.013
  647    QB   LYS  59           QB       LYS  59   1.334  10.246   0.419
  648    QG   LYS  59           QG       LYS  59   3.519   9.418   1.209
  649    QD   LYS  59           QD       LYS  59   2.574   9.486   3.279
  650    QE   LYS  59           QE       LYS  59   0.879   7.938   2.651
  651    QZ   LYS  59           QZ       LYS  59  -0.491   9.694   2.980
  652    H    ARG  60           H        ARG  60   1.818   9.469  -2.779
  653    HA   ARG  60           HA       ARG  60   4.074   7.793  -3.271
  654   1HB   ARG  60          1HB       ARG  60   1.779   8.713  -5.000
  655   2HB   ARG  60          2HB       ARG  60   3.111   7.768  -5.686
  656   1HG   ARG  60          1HG       ARG  60   2.777   5.953  -4.136
  657   2HG   ARG  60          2HG       ARG  60   1.632   6.916  -3.196
  658   1HD   ARG  60          1HD       ARG  60   0.447   5.294  -4.544
  659   2HD   ARG  60          2HD       ARG  60   0.069   6.947  -5.078
  660    HE   ARG  60           HE       ARG  60   2.181   5.296  -6.414
  661   1HH1  ARG  60          2HH2      ARG  60  -1.045   6.760  -6.835
  662   2HH1  ARG  60          1HH2      ARG  60  -0.959   6.644  -8.571
  663   1HH2  ARG  60          2HH1      ARG  60   2.360   5.421  -8.627
  664   2HH2  ARG  60          1HH1      ARG  60   1.047   5.939  -9.615
  665    QB   ARG  60           QB       ARG  60   2.445   8.241  -5.343
  666    QG   ARG  60           QG       ARG  60   2.205   6.434  -3.666
  667    QD   ARG  60           QD       ARG  60   0.258   6.121  -4.811
  668    QH1  ARG  60           QH2      ARG  60  -1.002   6.702  -7.703
  669    QH2  ARG  60           QH1      ARG  60   1.703   5.680  -9.121
  670    H    GLU  61           H        GLU  61   3.429  11.174  -4.339
  671    HA   GLU  61           HA       GLU  61   5.293  11.249  -6.393
  672   1HB   GLU  61          1HB       GLU  61   3.534  12.965  -5.604
  673   2HB   GLU  61          2HB       GLU  61   4.750  13.509  -4.439
  674   1HG   GLU  61          1HG       GLU  61   6.277  13.986  -6.335
  675   2HG   GLU  61          2HG       GLU  61   4.941  13.620  -7.453
  676    QB   GLU  61           QB       GLU  61   4.142  13.237  -5.021
  677    QG   GLU  61           QG       GLU  61   5.609  13.803  -6.894
  678    H    ILE  62           H        ILE  62   5.847  11.732  -2.873
  679    HA   ILE  62           HA       ILE  62   8.649  12.372  -3.239
  680    HB   ILE  62           HB       ILE  62   7.170  11.608  -0.699
  681   1HG1  ILE  62          1HG1      ILE  62   7.854  14.274  -2.031
  682   2HG1  ILE  62          2HG1      ILE  62   6.250  13.643  -1.641
  683   1HG2  ILE  62          2HG2      ILE  62   9.643  11.214  -0.553
  684   2HG2  ILE  62          3HG2      ILE  62   9.934  12.886  -1.061
  685   3HG2  ILE  62          1HG2      ILE  62   9.140  12.516   0.487
  686   1HD1  ILE  62          2HD1      ILE  62   6.874  13.786   0.808
  687   2HD1  ILE  62          3HD1      ILE  62   8.350  14.653   0.309
  688   3HD1  ILE  62          1HD1      ILE  62   6.766  15.340  -0.053
  689    QG1  ILE  62           QG1      ILE  62   7.052  13.959  -1.836
  690    QG2  ILE  62           QG2      ILE  62   9.572  12.205  -0.376
  691    QD1  ILE  62           QD1      ILE  62   7.330  14.593   0.355
  692    H    PHE  63           H        PHE  63   6.806   9.384  -2.520
  693    HA   PHE  63           HA       PHE  63   9.075   7.663  -2.137
  694   1HB   PHE  63          1HB       PHE  63   6.884   6.874  -1.589
  695   2HB   PHE  63          2HB       PHE  63   6.256   7.239  -3.181
  696    HD1  PHE  63          2HD       PHE  63   6.773   5.848  -5.159
  697    HD2  PHE  63          1HD       PHE  63   8.165   4.805  -1.200
  698    HE1  PHE  63          2HE       PHE  63   7.335   3.591  -5.952
  699    HE2  PHE  63          1HE       PHE  63   8.728   2.525  -2.031
  700   1HZ   PHE  63           HZ       PHE  63   8.314   1.919  -4.390
  701    QB   PHE  63           QB       PHE  63   6.570   7.057  -2.385
  702    QG   PHE  63           QD       PHE  63   7.469   5.326  -3.180
  703    QZ   PHE  63           QE       PHE  63   8.031   3.058  -3.992
  704    QZ   PHE  63           QR       PHE  63   7.863   3.737  -3.747
  705    H    ASP  64           H        ASP  64   7.242   8.568  -5.043
  706    HA   ASP  64           HA       ASP  64   8.613   7.101  -6.962
  707   1HB   ASP  64          1HB       ASP  64   6.335   8.030  -7.163
  708   2HB   ASP  64          2HB       ASP  64   6.981   9.664  -7.143
  709    QB   ASP  64           QB       ASP  64   6.658   8.847  -7.153
  710    H    ARG  65           H        ARG  65   9.227  10.578  -5.935
  711    HA   ARG  65           HA       ARG  65  11.159  11.004  -7.924
  712   1HB   ARG  65          1HB       ARG  65  11.661  12.905  -6.862
  713   2HB   ARG  65          2HB       ARG  65   9.930  12.750  -6.671
  714   1HG   ARG  65          1HG       ARG  65  10.440  11.981  -4.312
  715   2HG   ARG  65          2HG       ARG  65  12.104  12.508  -4.582
  716   1HD   ARG  65          1HD       ARG  65   9.640  14.304  -4.793
  717   2HD   ARG  65          2HD       ARG  65  10.667  14.176  -3.365
  718    HE   ARG  65           HE       ARG  65  12.421  15.305  -4.440
  719   1HH1  ARG  65          2HH2      ARG  65   9.593  15.364  -6.585
  720   2HH1  ARG  65          1HH2      ARG  65  10.560  15.622  -8.021
  721   1HH2  ARG  65          2HH1      ARG  65  13.570  16.022  -6.180
  722   2HH2  ARG  65          1HH1      ARG  65  12.851  16.186  -7.750
  723    QB   ARG  65           QB       ARG  65  10.796  12.827  -6.766
  724    QG   ARG  65           QG       ARG  65  11.272  12.244  -4.447
  725    QD   ARG  65           QD       ARG  65  10.153  14.240  -4.079
  726    QH1  ARG  65           QH2      ARG  65  10.076  15.493  -7.303
  727    QH2  ARG  65           QH1      ARG  65  13.210  16.104  -6.965
  728    H    TYR  66           H        TYR  66  11.376   9.715  -4.671
  729    HA   TYR  66           HA       TYR  66  14.314   9.656  -4.735
  730   1HB   TYR  66          1HB       TYR  66  12.184   9.024  -2.686
  731   2HB   TYR  66          2HB       TYR  66  13.793   8.380  -2.464
  732    HD1  TYR  66          1HD       TYR  66  15.754   9.767  -2.139
  733    HD2  TYR  66          2HD       TYR  66  11.821  11.508  -2.425
  734    HE1  TYR  66          1HE       TYR  66  16.653  11.928  -1.368
  735    HE2  TYR  66          2HE       TYR  66  12.722  13.694  -1.677
  736    HH   TYR  66           HH       TYR  66  14.826  14.953  -1.313
  737    QB   TYR  66           QB       TYR  66  12.989   8.702  -2.575
  738    QG   TYR  66           QD       TYR  66  13.787  10.637  -2.282
  739    QZ   TYR  66           QE       TYR  66  14.687  12.811  -1.523
  740    QR   TYR  66           QR       TYR  66  14.237  11.724  -1.902
  741    H    GLY  67           H        GLY  67  11.855   7.033  -4.249
  742   1HA   GLY  67          1HA       GLY  67  12.197   5.203  -5.985
  743   2HA   GLY  67          2HA       GLY  67  13.773   4.988  -5.202
  744    QA   GLY  67           QA       GLY  67  12.985   5.096  -5.593
  745    H    GLU  68           H        GLU  68  13.056   5.478  -2.626
  746    HA   GLU  68           HA       GLU  68  10.521   4.410  -1.785
  747   1HB   GLU  68          1HB       GLU  68  11.794   2.236  -1.970
  748   2HB   GLU  68          2HB       GLU  68  12.998   2.890  -0.862
  749   1HG   GLU  68          1HG       GLU  68  10.919   3.242   0.753
  750   2HG   GLU  68          2HG       GLU  68  10.137   2.066  -0.288
  751    QB   GLU  68           QB       GLU  68  12.396   2.563  -1.416
  752    QG   GLU  68           QG       GLU  68  10.528   2.654   0.232
  753    H    GLU  69           H        GLU  69  13.867   5.100  -0.718
  754    HA   GLU  69           HA       GLU  69  13.408   5.545   1.924
  755   1HB   GLU  69          1HB       GLU  69  15.574   6.178   0.041
  756   2HB   GLU  69          2HB       GLU  69  15.468   7.402   1.286
  757   1HG   GLU  69          1HG       GLU  69  15.643   4.413   1.816
  758   2HG   GLU  69          2HG       GLU  69  17.001   5.527   1.862
  759    QB   GLU  69           QB       GLU  69  15.521   6.790   0.664
  760    QG   GLU  69           QG       GLU  69  16.322   4.970   1.839
  761    H    GLY  70           H        GLY  70  13.020   7.918  -0.622
  762   1HA   GLY  70          1HA       GLY  70  12.758  10.365   0.457
  763   2HA   GLY  70          2HA       GLY  70  11.595   9.733  -0.702
  764    QA   GLY  70           QA       GLY  70  12.176  10.049  -0.123
  765    H    LEU  71           H        LEU  71  10.281   7.769   0.825
  766    HA   LEU  71           HA       LEU  71   8.379   9.530   2.088
  767   1HB   LEU  71          1HB       LEU  71   7.678   7.495   0.945
  768   2HB   LEU  71          2HB       LEU  71   8.587   6.492   2.084
  769    HG   LEU  71           HG       LEU  71   7.124   7.134   3.926
  770   1HD1  LEU  71          3HD1      LEU  71   5.651   8.900   1.917
  771   2HD1  LEU  71          1HD1      LEU  71   5.125   8.533   3.587
  772   3HD1  LEU  71          2HD1      LEU  71   6.561   9.488   3.319
  773   1HD2  LEU  71          3HD2      LEU  71   6.403   5.290   2.455
  774   2HD2  LEU  71          1HD2      LEU  71   5.022   6.145   3.145
  775   3HD2  LEU  71          2HD2      LEU  71   5.503   6.431   1.450
  776    QB   LEU  71           QB       LEU  71   8.133   6.994   1.514
  777    QD1  LEU  71           QD1      LEU  71   5.779   8.973   2.941
  778    QD2  LEU  71           QD2      LEU  71   5.643   5.955   2.350
  779    QQD  LEU  71           QQD      LEU  71   5.711   7.464   2.645
  780    H    LYS  72           H        LYS  72  10.990   7.463   3.370
  781    HA   LYS  72           HA       LYS  72  10.215   8.039   6.174
  782   1HB   LYS  72          1HB       LYS  72  10.856   5.791   5.737
  783   2HB   LYS  72          2HB       LYS  72  12.329   6.289   4.881
  784   1HG   LYS  72          1HG       LYS  72  13.423   6.940   6.853
  785   2HG   LYS  72          2HG       LYS  72  11.934   7.008   7.800
  786   1HD   LYS  72          1HD       LYS  72  13.566   5.060   8.200
  787   2HD   LYS  72          2HD       LYS  72  11.840   4.730   8.125
  788   1HE   LYS  72          1HE       LYS  72  12.013   3.874   5.856
  789   2HE   LYS  72          2HE       LYS  72  13.731   4.313   5.777
  790   1HZ   LYS  72          1HZ       LYS  72  12.644   2.433   7.779
  791   2HZ   LYS  72          2HZ       LYS  72  13.258   1.931   6.337
  792   3HZ   LYS  72          3HZ       LYS  72  14.230   2.715   7.393
  793    QB   LYS  72           QB       LYS  72  11.592   6.040   5.309
  794    QG   LYS  72           QG       LYS  72  12.678   6.974   7.327
  795    QD   LYS  72           QD       LYS  72  12.703   4.895   8.163
  796    QE   LYS  72           QE       LYS  72  12.872   4.093   5.817
  797    QZ   LYS  72           QZ       LYS  72  13.377   2.360   7.170
  798    H    GLY  73           H        GLY  73  12.454   9.105   3.734
  799   1HA   GLY  73          1HA       GLY  73  13.341  11.388   5.376
  800   2HA   GLY  73          2HA       GLY  73  14.535  10.140   4.991
  801    QA   GLY  73           QA       GLY  73  13.938  10.764   5.183
  802    H    SER  74           H        SER  74  12.916  12.900   3.849
  803    HA   SER  74           HA       SER  74  13.474  12.557   1.001
  804   1HB   SER  74          1HB       SER  74  13.001  15.042   2.688
  805   2HB   SER  74          2HB       SER  74  13.114  15.011   0.926
  806    HG   SER  74           HG       SER  74  11.165  13.509   2.391
  807    QB   SER  74           QB       SER  74  13.058  15.027   1.807
  808    H    GLY  75           H        GLY  75  15.652  11.620   1.411
  809   1HA   GLY  75          1HA       GLY  75  17.860  11.910   0.825
  810   2HA   GLY  75          2HA       GLY  75  17.595  13.656   0.745
  811    QA   GLY  75           QA       GLY  75  17.728  12.783   0.785
  812    H    CYS  76           H        CYS  76  16.862  11.884   3.764
  813    HA   CYS  76           HA       CYS  76  19.443  12.488   4.939
  814   1HB   CYS  76          1HB       CYS  76  16.807  13.469   6.142
  815   2HB   CYS  76          2HB       CYS  76  18.367  13.407   6.975
  816    HG   CYS  76           HG       CYS  76  19.552  14.726   4.860
  817    QB   CYS  76           QB       CYS  76  17.587  13.438   6.558
   
  No H/Q in entry =         817
  Start of MODEL   12
    1    H    MET   0           H        MET   0  11.441   5.278   5.213
    2    HA   MET   0           HA       MET   0   8.981   3.958   4.221
    3   1HB   MET   0          1HB       MET   0  11.434   4.763   2.612
    4   2HB   MET   0          2HB       MET   0  10.047   3.838   2.001
    5   1HG   MET   0          1HG       MET   0  10.078   6.707   2.975
    6   2HG   MET   0          2HG       MET   0   9.817   6.160   1.325
    7   1HE   MET   0          2HE       MET   0   7.683   4.314   0.867
    8   2HE   MET   0          3HE       MET   0   6.138   5.114   1.203
    9   3HE   MET   0          1HE       MET   0   7.391   5.995   0.327
   10    QB   MET   0           QB       MET   0  10.741   4.301   2.306
   11    QG   MET   0           QG       MET   0   9.948   6.433   2.150
   12    QE   MET   0           QE       MET   0   7.071   5.141   0.799
   13    H    GLY   1           H        GLY   1  11.793   2.527   2.804
   14   1HA   GLY   1          1HA       GLY   1  13.016   0.747   3.396
   15   2HA   GLY   1          2HA       GLY   1  12.509   0.947   5.069
   16    QA   GLY   1           QA       GLY   1  12.763   0.847   4.232
   17    H    LYS   2           H        LYS   2   9.572   0.726   4.325
   18    HA   LYS   2           HA       LYS   2   9.424  -2.205   4.252
   19   1HB   LYS   2          1HB       LYS   2   7.298  -0.047   4.515
   20   2HB   LYS   2          2HB       LYS   2   7.020  -1.774   4.533
   21   1HG   LYS   2          1HG       LYS   2   7.345  -1.837   6.706
   22   2HG   LYS   2          2HG       LYS   2   9.041  -1.486   6.436
   23   1HD   LYS   2          1HD       LYS   2   8.233   0.003   8.086
   24   2HD   LYS   2          2HD       LYS   2   8.525   0.961   6.635
   25   1HE   LYS   2          1HE       LYS   2   6.073   0.871   6.117
   26   2HE   LYS   2          2HE       LYS   2   5.819  -0.045   7.609
   27   1HZ   LYS   2          1HZ       LYS   2   6.662   1.874   8.838
   28   2HZ   LYS   2          2HZ       LYS   2   6.878   2.715   7.455
   29   3HZ   LYS   2          3HZ       LYS   2   5.359   2.313   7.869
   30    QB   LYS   2           QB       LYS   2   7.159  -0.910   4.524
   31    QG   LYS   2           QG       LYS   2   8.193  -1.661   6.571
   32    QD   LYS   2           QD       LYS   2   8.379   0.482   7.361
   33    QE   LYS   2           QE       LYS   2   5.946   0.413   6.863
   34    QZ   LYS   2           QZ       LYS   2   6.300   2.301   8.054
   35    H    ASP   3           H        ASP   3   9.882  -0.128   1.753
   36    HA   ASP   3           HA       ASP   3   9.498   0.004  -0.415
   37   1HB   ASP   3          1HB       ASP   3  10.289  -2.229  -0.440
   38   2HB   ASP   3          2HB       ASP   3   8.696  -2.881  -0.080
   39    QB   ASP   3           QB       ASP   3   9.493  -2.555  -0.260
   40    H    TYR   4           H        TYR   4   6.651  -1.110   1.363
   41    HA   TYR   4           HA       TYR   4   4.646  -0.121   1.578
   42   1HB   TYR   4          1HB       TYR   4   5.691   1.983  -0.332
   43   2HB   TYR   4          2HB       TYR   4   4.043   1.919   0.251
   44    HD1  TYR   4          2HD       TYR   4   7.384   1.337   2.013
   45    HD2  TYR   4          1HD       TYR   4   3.705   3.585   1.835
   46    HE1  TYR   4          2HE       TYR   4   7.829   2.243   4.242
   47    HE2  TYR   4          1HE       TYR   4   4.194   4.553   4.063
   48    HH   TYR   4           HH       TYR   4   5.585   4.306   6.016
   49    QB   TYR   4           QB       TYR   4   4.867   1.951  -0.040
   50    QG   TYR   4           QD       TYR   4   5.544   2.461   1.924
   51    QZ   TYR   4           QE       TYR   4   6.012   3.398   4.153
   52    QR   TYR   4           QR       TYR   4   5.778   2.929   3.038
   53    H    TYR   5           H        TYR   5   5.567  -0.258  -1.902
   54    HA   TYR   5           HA       TYR   5   3.078  -1.177  -2.968
   55   1HB   TYR   5          1HB       TYR   5   5.997  -1.422  -3.798
   56   2HB   TYR   5          2HB       TYR   5   4.704  -2.145  -4.689
   57    HD1  TYR   5          1HD       TYR   5   5.186   1.336  -3.185
   58    HD2  TYR   5          2HD       TYR   5   4.496  -1.045  -6.700
   59    HE1  TYR   5          1HE       TYR   5   4.937   3.386  -4.526
   60    HE2  TYR   5          2HE       TYR   5   4.363   0.972  -8.063
   61    HH   TYR   5           HH       TYR   5   4.473   3.303  -8.086
   62    QB   TYR   5           QB       TYR   5   5.351  -1.783  -4.243
   63    QG   TYR   5           QD       TYR   5   4.841   0.146  -4.942
   64    QZ   TYR   5           QE       TYR   5   4.650   2.179  -6.295
   65    QR   TYR   5           QR       TYR   5   4.746   1.162  -5.619
   66    H    GLN   6           H        GLN   6   6.080  -2.920  -1.910
   67    HA   GLN   6           HA       GLN   6   4.905  -5.452  -2.022
   68   1HB   GLN   6          1HB       GLN   6   7.353  -4.706  -1.848
   69   2HB   GLN   6          2HB       GLN   6   7.143  -4.649  -0.108
   70   1HG   GLN   6          1HG       GLN   6   6.294  -7.189  -1.429
   71   2HG   GLN   6          2HG       GLN   6   8.003  -6.813  -1.603
   72   1HE2  GLN   6          2HE2      GLN   6   8.768  -7.874   1.674
   73   2HE2  GLN   6          1HE2      GLN   6   9.355  -7.513   0.074
   74    QB   GLN   6           QB       GLN   6   7.248  -4.677  -0.978
   75    QG   GLN   6           QG       GLN   6   7.149  -7.001  -1.516
   76    QE2  GLN   6           QE2      GLN   6   9.061  -7.693   0.874
   77    H    THR   7           H        THR   7   4.704  -3.061   0.625
   78    HA   THR   7           HA       THR   7   3.689  -4.884   2.528
   79    HB   THR   7           HB       THR   7   2.747  -2.013   2.273
   80    HG1  THR   7          1HG       THR   7   4.681  -1.841   3.843
   81   1HG2  THR   7          3HG2      THR   7   1.629  -3.415   4.011
   82   2HG2  THR   7          1HG2      THR   7   3.220  -3.763   4.711
   83   3HG2  THR   7          2HG2      THR   7   2.556  -2.111   4.706
   84    QG2  THR   7           QG2      THR   7   2.468  -3.096   4.476
   85    H    LEU   8           H        LEU   8   2.165  -3.464  -0.268
   86    HA   LEU   8           HA       LEU   8  -0.516  -4.505   0.464
   87   1HB   LEU   8          1HB       LEU   8   0.575  -2.473  -1.325
   88   2HB   LEU   8          2HB       LEU   8  -0.138  -3.712  -2.293
   89    HG   LEU   8           HG       LEU   8  -1.421  -1.789  -0.355
   90   1HD1  LEU   8          1HD1      LEU   8  -2.194  -2.730  -3.135
   91   2HD1  LEU   8          2HD1      LEU   8  -3.055  -1.508  -2.213
   92   3HD1  LEU   8          3HD1      LEU   8  -1.389  -1.199  -2.749
   93   1HD2  LEU   8          2HD2      LEU   8  -2.848  -4.269  -1.316
   94   2HD2  LEU   8          3HD2      LEU   8  -2.453  -3.867   0.387
   95   3HD2  LEU   8          1HD2      LEU   8  -3.597  -2.885  -0.466
   96    QB   LEU   8           QB       LEU   8   0.218  -3.092  -1.809
   97    QD1  LEU   8           QD1      LEU   8  -2.213  -1.812  -2.699
   98    QD2  LEU   8           QD2      LEU   8  -2.966  -3.674  -0.465
   99    QQD  LEU   8           QQD      LEU   8  -2.589  -2.743  -1.582
  100    H    GLY   9           H        GLY   9   2.388  -5.589  -1.041
  101   1HA   GLY   9          1HA       GLY   9   2.815  -7.865  -1.516
  102   2HA   GLY   9          2HA       GLY   9   1.087  -8.180  -1.730
  103    QA   GLY   9           QA       GLY   9   1.951  -8.023  -1.623
  104    H    LEU  10           H        LEU  10   3.424  -5.815  -3.047
  105    HA   LEU  10           HA       LEU  10   2.944  -6.608  -5.853
  106   1HB   LEU  10          1HB       LEU  10   2.939  -3.782  -4.726
  107   2HB   LEU  10          2HB       LEU  10   2.845  -4.184  -6.418
  108    HG   LEU  10           HG       LEU  10   0.682  -5.104  -4.486
  109   1HD1  LEU  10          2HD1      LEU  10   0.848  -2.478  -5.991
  110   2HD1  LEU  10          3HD1      LEU  10  -0.557  -3.097  -5.083
  111   3HD1  LEU  10          1HD1      LEU  10   0.940  -2.702  -4.231
  112   1HD2  LEU  10          3HD2      LEU  10   0.751  -4.626  -7.506
  113   2HD2  LEU  10          1HD2      LEU  10   0.738  -6.203  -6.698
  114   3HD2  LEU  10          2HD2      LEU  10  -0.661  -5.134  -6.571
  115    QB   LEU  10           QB       LEU  10   2.892  -3.983  -5.572
  116    QD1  LEU  10           QD1      LEU  10   0.410  -2.759  -5.102
  117    QD2  LEU  10           QD2      LEU  10   0.276  -5.321  -6.925
  118    QQD  LEU  10           QQD      LEU  10   0.343  -4.040  -6.013
  119    H    ALA  11           H        ALA  11   4.656  -4.705  -6.950
  120    HA   ALA  11           HA       ALA  11   7.033  -4.291  -5.355
  121   1HB   ALA  11          1HB       ALA  11   7.487  -6.511  -6.465
  122   2HB   ALA  11          2HB       ALA  11   7.135  -5.761  -8.044
  123   3HB   ALA  11          3HB       ALA  11   8.529  -5.219  -7.088
  124    QB   ALA  11           QB       ALA  11   7.717  -5.830  -7.199
  125    H    ARG  12           H        ARG  12   8.500  -2.964  -6.756
  126    HA   ARG  12           HA       ARG  12   7.372  -0.792  -8.258
  127   1HB   ARG  12          1HB       ARG  12  10.059  -2.039  -7.849
  128   2HB   ARG  12          2HB       ARG  12   9.843  -1.217  -9.386
  129   1HG   ARG  12          1HG       ARG  12  10.800   0.313  -7.845
  130   2HG   ARG  12          2HG       ARG  12   9.168   0.846  -8.249
  131   1HD   ARG  12          1HD       ARG  12   8.332   0.018  -6.060
  132   2HD   ARG  12          2HD       ARG  12   9.915  -0.675  -5.705
  133    HE   ARG  12           HE       ARG  12  10.840   1.352  -5.325
  134   1HH1  ARG  12          2HH2      ARG  12   7.497   1.845  -6.376
  135   2HH1  ARG  12          1HH2      ARG  12   7.648   3.534  -6.673
  136   1HH2  ARG  12          2HH1      ARG  12  11.005   3.675  -5.554
  137   2HH2  ARG  12          1HH1      ARG  12   9.589   4.656  -5.670
  138    QB   ARG  12           QB       ARG  12   9.951  -1.628  -8.618
  139    QG   ARG  12           QG       ARG  12   9.984   0.579  -8.047
  140    QD   ARG  12           QD       ARG  12   9.124  -0.329  -5.882
  141    QH1  ARG  12           QH2      ARG  12   7.573   2.690  -6.525
  142    QH2  ARG  12           QH1      ARG  12  10.297   4.166  -5.612
  143    H    GLY  13           H        GLY  13   6.114  -1.080  -9.860
  144   1HA   GLY  13          1HA       GLY  13   6.371  -1.784 -12.377
  145   2HA   GLY  13          2HA       GLY  13   6.207  -3.401 -11.664
  146    QA   GLY  13           QA       GLY  13   6.289  -2.592 -12.020
  147    H    ALA  14           H        ALA  14   4.452  -2.416  -9.453
  148    HA   ALA  14           HA       ALA  14   1.881  -2.527 -10.634
  149   1HB   ALA  14          2HB       ALA  14   2.342  -3.038  -8.264
  150   2HB   ALA  14          3HB       ALA  14   2.684  -1.317  -7.956
  151   3HB   ALA  14          1HB       ALA  14   1.062  -1.822  -8.425
  152    QB   ALA  14           QB       ALA  14   2.029  -2.059  -8.215
  153    H    SER  15           H        SER  15   0.787  -1.063 -11.759
  154    HA   SER  15           HA       SER  15   1.577   1.801 -11.787
  155   1HB   SER  15          1HB       SER  15  -0.392   1.988 -13.332
  156   2HB   SER  15          2HB       SER  15   0.843   0.865 -13.908
  157    HG   SER  15           HG       SER  15  -0.430  -0.860 -13.303
  158    QB   SER  15           QB       SER  15   0.226   1.426 -13.620
  159    H    ASP  16           H        ASP  16  -0.189   3.423 -11.417
  160    HA   ASP  16           HA       ASP  16  -0.891   3.174  -8.696
  161   1HB   ASP  16          1HB       ASP  16  -0.479   5.335  -9.703
  162   2HB   ASP  16          2HB       ASP  16  -1.798   5.107 -10.859
  163    QB   ASP  16           QB       ASP  16  -1.139   5.221 -10.281
  164    H    GLU  17           H        GLU  17  -2.473   2.234 -11.618
  165    HA   GLU  17           HA       GLU  17  -5.214   1.943 -10.637
  166   1HB   GLU  17          1HB       GLU  17  -4.585   2.223 -13.039
  167   2HB   GLU  17          2HB       GLU  17  -3.722   0.680 -12.984
  168   1HG   GLU  17          1HG       GLU  17  -5.854  -0.465 -12.394
  169   2HG   GLU  17          2HG       GLU  17  -6.689   1.093 -12.444
  170    QB   GLU  17           QB       GLU  17  -4.154   1.451 -13.012
  171    QG   GLU  17           QG       GLU  17  -6.272   0.314 -12.419
  172    H    GLU  18           H        GLU  18  -2.216   0.023 -10.606
  173    HA   GLU  18           HA       GLU  18  -3.673  -2.456 -10.094
  174   1HB   GLU  18          1HB       GLU  18  -1.334  -1.882 -11.361
  175   2HB   GLU  18          2HB       GLU  18  -0.689  -2.257  -9.771
  176   1HG   GLU  18          1HG       GLU  18  -1.876  -4.388  -9.663
  177   2HG   GLU  18          2HG       GLU  18  -2.702  -4.041 -11.187
  178    QB   GLU  18           QB       GLU  18  -1.011  -2.070 -10.566
  179    QG   GLU  18           QG       GLU  18  -2.289  -4.215 -10.425
  180    H    ILE  19           H        ILE  19  -1.770   0.013  -8.589
  181    HA   ILE  19           HA       ILE  19  -1.612  -0.978  -5.967
  182    HB   ILE  19           HB       ILE  19  -1.737   1.836  -7.014
  183   1HG1  ILE  19          1HG1      ILE  19   0.383   0.208  -5.539
  184   2HG1  ILE  19          2HG1      ILE  19   0.286   0.332  -7.290
  185   1HG2  ILE  19          2HG2      ILE  19  -1.577   0.999  -4.087
  186   2HG2  ILE  19          3HG2      ILE  19  -1.288   2.640  -4.715
  187   3HG2  ILE  19          1HG2      ILE  19  -2.879   1.956  -4.828
  188   1HD1  ILE  19          2HD1      ILE  19   0.715   2.713  -5.451
  189   2HD1  ILE  19          3HD1      ILE  19   1.954   1.849  -6.359
  190   3HD1  ILE  19          1HD1      ILE  19   0.669   2.728  -7.221
  191    QG1  ILE  19           QG1      ILE  19   0.335   0.270  -6.414
  192    QG2  ILE  19           QG2      ILE  19  -1.915   1.865  -4.543
  193    QD1  ILE  19           QD1      ILE  19   1.112   2.430  -6.344
  194    H    LYS  20           H        LYS  20  -4.147   1.229  -7.307
  195    HA   LYS  20           HA       LYS  20  -5.958   0.895  -5.140
  196   1HB   LYS  20          1HB       LYS  20  -6.183   1.958  -7.923
  197   2HB   LYS  20          2HB       LYS  20  -7.671   1.476  -7.116
  198   1HG   LYS  20          1HG       LYS  20  -7.342   3.785  -6.696
  199   2HG   LYS  20          2HG       LYS  20  -7.190   2.913  -5.189
  200   1HD   LYS  20          1HD       LYS  20  -4.987   3.459  -4.893
  201   2HD   LYS  20          2HD       LYS  20  -4.597   3.417  -6.611
  202   1HE   LYS  20          1HE       LYS  20  -6.287   5.612  -5.369
  203   2HE   LYS  20          2HE       LYS  20  -4.522   5.730  -5.545
  204   1HZ   LYS  20          1HZ       LYS  20  -6.235   5.176  -7.879
  205   2HZ   LYS  20          2HZ       LYS  20  -5.913   6.703  -7.390
  206   3HZ   LYS  20          3HZ       LYS  20  -4.698   5.708  -7.865
  207    QB   LYS  20           QB       LYS  20  -6.927   1.717  -7.520
  208    QG   LYS  20           QG       LYS  20  -7.266   3.349  -5.943
  209    QD   LYS  20           QD       LYS  20  -4.792   3.438  -5.752
  210    QE   LYS  20           QE       LYS  20  -5.404   5.671  -5.457
  211    QZ   LYS  20           QZ       LYS  20  -5.615   5.862  -7.711
  212    H    ARG  21           H        ARG  21  -5.493  -1.140  -8.007
  213    HA   ARG  21           HA       ARG  21  -7.901  -2.649  -7.711
  214   1HB   ARG  21          1HB       ARG  21  -6.381  -2.488  -9.726
  215   2HB   ARG  21          2HB       ARG  21  -5.242  -3.544  -8.926
  216   1HG   ARG  21          1HG       ARG  21  -6.946  -5.344  -8.857
  217   2HG   ARG  21          2HG       ARG  21  -8.153  -4.235  -9.540
  218   1HD   ARG  21          1HD       ARG  21  -6.786  -3.966 -11.584
  219   2HD   ARG  21          2HD       ARG  21  -5.564  -5.062 -10.928
  220    HE   ARG  21           HE       ARG  21  -8.150  -5.708 -12.102
  221   1HH1  ARG  21          2HH2      ARG  21  -5.531  -6.942 -10.065
  222   2HH1  ARG  21          1HH2      ARG  21  -6.058  -8.586 -10.129
  223   1HH2  ARG  21          2HH1      ARG  21  -8.724  -7.868 -12.381
  224   2HH2  ARG  21          1HH1      ARG  21  -7.821  -9.170 -11.619
  225    QB   ARG  21           QB       ARG  21  -5.811  -3.016  -9.326
  226    QG   ARG  21           QG       ARG  21  -7.549  -4.789  -9.198
  227    QD   ARG  21           QD       ARG  21  -6.175  -4.514 -11.256
  228    QH1  ARG  21           QH2      ARG  21  -5.794  -7.764 -10.097
  229    QH2  ARG  21           QH1      ARG  21  -8.272  -8.519 -12.000
  230    H    ALA  22           H        ALA  22  -4.559  -3.322  -6.761
  231    HA   ALA  22           HA       ALA  22  -4.914  -5.661  -5.221
  232   1HB   ALA  22          2HB       ALA  22  -2.876  -3.449  -5.071
  233   2HB   ALA  22          3HB       ALA  22  -2.783  -4.951  -4.112
  234   3HB   ALA  22          1HB       ALA  22  -2.754  -5.016  -5.885
  235    QB   ALA  22           QB       ALA  22  -2.804  -4.472  -5.023
  236    H    TYR  23           H        TYR  23  -5.009  -2.175  -4.139
  237    HA   TYR  23           HA       TYR  23  -5.221  -2.218  -1.565
  238   1HB   TYR  23          1HB       TYR  23  -5.779  -0.582  -3.734
  239   2HB   TYR  23          2HB       TYR  23  -7.357  -0.762  -3.104
  240    HD1  TYR  23          2HD       TYR  23  -3.929   0.409  -2.453
  241    HD2  TYR  23          1HD       TYR  23  -8.128   0.755  -1.519
  242    HE1  TYR  23          2HE       TYR  23  -3.445   2.412  -1.121
  243    HE2  TYR  23          1HE       TYR  23  -7.653   2.817  -0.210
  244    HH   TYR  23           HH       TYR  23  -4.335   3.946   0.378
  245    QB   TYR  23           QB       TYR  23  -6.568  -0.672  -3.419
  246    QG   TYR  23           QD       TYR  23  -6.029   0.582  -1.986
  247    QZ   TYR  23           QE       TYR  23  -5.549   2.614  -0.665
  248    QR   TYR  23           QR       TYR  23  -5.789   1.598  -1.326
  249    H    ARG  24           H        ARG  24  -8.250  -2.650  -3.543
  250    HA   ARG  24           HA       ARG  24  -9.713  -3.122  -1.135
  251   1HB   ARG  24          1HB       ARG  24 -10.552  -2.221  -3.417
  252   2HB   ARG  24          2HB       ARG  24 -10.763  -3.921  -3.866
  253   1HG   ARG  24          1HG       ARG  24 -12.240  -4.265  -1.929
  254   2HG   ARG  24          2HG       ARG  24 -11.890  -2.625  -1.348
  255   1HD   ARG  24          1HD       ARG  24 -12.887  -1.700  -3.450
  256   2HD   ARG  24          2HD       ARG  24 -13.399  -3.344  -3.893
  257    HE   ARG  24           HE       ARG  24 -14.444  -1.573  -1.803
  258   1HH1  ARG  24          2HH2      ARG  24 -14.655  -4.870  -3.126
  259   2HH1  ARG  24          1HH2      ARG  24 -15.761  -5.408  -1.902
  260   1HH2  ARG  24          2HH1      ARG  24 -15.587  -2.340  -0.113
  261   2HH2  ARG  24          1HH1      ARG  24 -16.432  -3.833  -0.116
  262    QB   ARG  24           QB       ARG  24 -10.657  -3.071  -3.642
  263    QG   ARG  24           QG       ARG  24 -12.065  -3.445  -1.639
  264    QD   ARG  24           QD       ARG  24 -13.143  -2.522  -3.671
  265    QH1  ARG  24           QH2      ARG  24 -15.208  -5.139  -2.514
  266    QH2  ARG  24           QH1      ARG  24 -16.010  -3.086  -0.114
  267    H    ARG  25           H        ARG  25  -8.321  -5.409  -3.525
  268    HA   ARG  25           HA       ARG  25  -9.555  -7.724  -2.263
  269   1HB   ARG  25          1HB       ARG  25  -8.026  -9.107  -3.531
  270   2HB   ARG  25          2HB       ARG  25  -8.768  -7.891  -4.578
  271   1HG   ARG  25          1HG       ARG  25  -6.804  -6.611  -4.701
  272   2HG   ARG  25          2HG       ARG  25  -6.002  -7.501  -3.391
  273   1HD   ARG  25          1HD       ARG  25  -6.684  -8.663  -6.093
  274   2HD   ARG  25          2HD       ARG  25  -5.129  -7.971  -5.669
  275    HE   ARG  25           HE       ARG  25  -4.890  -9.651  -3.908
  276   1HH1  ARG  25          2HH2      ARG  25  -7.040 -10.443  -6.638
  277   2HH1  ARG  25          1HH2      ARG  25  -6.836 -12.157  -6.474
  278   1HH2  ARG  25          2HH1      ARG  25  -4.627 -11.909  -3.708
  279   2HH2  ARG  25          1HH1      ARG  25  -5.469 -13.003  -4.758
  280    QB   ARG  25           QB       ARG  25  -8.397  -8.499  -4.055
  281    QG   ARG  25           QG       ARG  25  -6.403  -7.056  -4.046
  282    QD   ARG  25           QD       ARG  25  -5.907  -8.317  -5.881
  283    QH1  ARG  25           QH2      ARG  25  -6.938 -11.300  -6.556
  284    QH2  ARG  25           QH1      ARG  25  -5.048 -12.456  -4.233
  285    H    GLN  26           H        GLN  26  -6.692  -5.747  -1.497
  286    HA   GLN  26           HA       GLN  26  -5.700  -7.711   0.364
  287   1HB   GLN  26          1HB       GLN  26  -4.880  -5.152  -0.819
  288   2HB   GLN  26          2HB       GLN  26  -4.681  -5.049   0.885
  289   1HG   GLN  26          1HG       GLN  26  -2.663  -6.060   0.216
  290   2HG   GLN  26          2HG       GLN  26  -3.609  -7.426   0.726
  291   1HE2  GLN  26          2HE2      GLN  26  -2.125  -8.487  -2.260
  292   2HE2  GLN  26          1HE2      GLN  26  -2.273  -8.734  -0.555
  293    QB   GLN  26           QB       GLN  26  -4.780  -5.100   0.033
  294    QG   GLN  26           QG       GLN  26  -3.136  -6.743   0.471
  295    QE2  GLN  26           QE2      GLN  26  -2.199  -8.611  -1.407
  296    H    ALA  27           H        ALA  27  -7.406  -4.539   0.716
  297    HA   ALA  27           HA       ALA  27  -7.524  -4.546   3.515
  298   1HB   ALA  27          2HB       ALA  27  -9.569  -3.509   1.494
  299   2HB   ALA  27          3HB       ALA  27  -9.525  -3.098   3.225
  300   3HB   ALA  27          1HB       ALA  27  -8.172  -2.640   2.176
  301    QB   ALA  27           QB       ALA  27  -9.089  -3.082   2.298
  302    H    LEU  28           H        LEU  28  -9.889  -5.882   1.132
  303    HA   LEU  28           HA       LEU  28 -11.530  -7.107   3.103
  304   1HB   LEU  28          1HB       LEU  28 -12.159  -6.533   0.730
  305   2HB   LEU  28          2HB       LEU  28 -11.191  -7.909   0.192
  306    HG   LEU  28           HG       LEU  28 -12.696  -9.452   1.462
  307   1HD1  LEU  28          1HD1      LEU  28 -14.261  -6.903   2.103
  308   2HD1  LEU  28          2HD1      LEU  28 -14.885  -8.549   2.318
  309   3HD1  LEU  28          3HD1      LEU  28 -13.516  -8.005   3.279
  310   1HD2  LEU  28          3HD2      LEU  28 -13.132  -8.933  -0.897
  311   2HD2  LEU  28          1HD2      LEU  28 -14.637  -9.221  -0.013
  312   3HD2  LEU  28          2HD2      LEU  28 -14.150  -7.557  -0.422
  313    QB   LEU  28           QB       LEU  28 -11.675  -7.221   0.461
  314    QD1  LEU  28           QD1      LEU  28 -14.221  -7.819   2.567
  315    QD2  LEU  28           QD2      LEU  28 -13.973  -8.570  -0.444
  316    QQD  LEU  28           QQD      LEU  28 -14.097  -8.195   1.061
  317    H    ARG  29           H        ARG  29  -8.392  -8.205   1.827
  318    HA   ARG  29           HA       ARG  29  -8.819 -10.995   2.460
  319   1HB   ARG  29          1HB       ARG  29  -7.078 -10.509   0.905
  320   2HB   ARG  29          2HB       ARG  29  -6.331  -9.329   1.952
  321   1HG   ARG  29          1HG       ARG  29  -5.081 -11.427   1.844
  322   2HG   ARG  29          2HG       ARG  29  -5.558 -10.954   3.477
  323   1HD   ARG  29          1HD       ARG  29  -7.146 -12.689   3.671
  324   2HD   ARG  29          2HD       ARG  29  -7.269 -12.881   1.914
  325    HE   ARG  29           HE       ARG  29  -4.613 -13.495   2.902
  326   1HH1  ARG  29          2HH2      ARG  29  -7.830 -14.998   2.902
  327   2HH1  ARG  29          1HH2      ARG  29  -7.176 -16.587   2.678
  328   1HH2  ARG  29          2HH1      ARG  29  -3.838 -15.458   2.569
  329   2HH2  ARG  29          1HH1      ARG  29  -4.832 -16.902   2.480
  330    QB   ARG  29           QB       ARG  29  -6.705  -9.919   1.428
  331    QG   ARG  29           QG       ARG  29  -5.320 -11.190   2.661
  332    QD   ARG  29           QD       ARG  29  -7.207 -12.785   2.793
  333    QH1  ARG  29           QH2      ARG  29  -7.503 -15.793   2.790
  334    QH2  ARG  29           QH1      ARG  29  -4.335 -16.180   2.525
  335    H    TYR  30           H        TYR  30  -6.881  -8.427   4.054
  336    HA   TYR  30           HA       TYR  30  -6.641 -10.047   6.411
  337   1HB   TYR  30          1HB       TYR  30  -5.741  -7.195   5.832
  338   2HB   TYR  30          2HB       TYR  30  -5.184  -8.193   7.171
  339    HD1  TYR  30          2HD       TYR  30  -4.193 -10.545   6.514
  340    HD2  TYR  30          1HD       TYR  30  -4.448  -7.185   3.834
  341    HE1  TYR  30          2HE       TYR  30  -2.616 -11.645   5.014
  342    HE2  TYR  30          1HE       TYR  30  -2.671  -8.200   2.422
  343    HH   TYR  30           HH       TYR  30  -1.280  -9.957   2.107
  344    QB   TYR  30           QB       TYR  30  -5.462  -7.694   6.502
  345    QG   TYR  30           QD       TYR  30  -4.321  -8.865   5.174
  346    QZ   TYR  30           QE       TYR  30  -2.644  -9.922   3.718
  347    QR   TYR  30           QR       TYR  30  -3.482  -9.394   4.446
  348    H    HIS  31           H        HIS  31  -9.143  -7.933   5.526
  349    HA   HIS  31           HA       HIS  31  -9.618  -6.259   7.531
  350   1HB   HIS  31          1HB       HIS  31 -11.057  -7.238   5.341
  351   2HB   HIS  31          2HB       HIS  31 -12.081  -7.638   6.663
  352    HD1  HIS  31          1HD       HIS  31 -11.714  -4.853   8.455
  353    HD2  HIS  31          2HD       HIS  31 -12.487  -5.352   4.330
  354    HE1  HIS  31          1HE       HIS  31 -12.929  -2.831   7.729
  355    QB   HIS  31           QB       HIS  31 -11.569  -7.438   6.002
  356    HA   PRO  32           HA       PRO  32 -10.008  -9.285  10.873
  357   1HB   PRO  32          1HB       PRO  32 -10.041  -7.637  13.024
  358   2HB   PRO  32          2HB       PRO  32  -8.574  -7.899  12.033
  359   1HG   PRO  32          1HG       PRO  32 -10.577  -5.621  11.812
  360   2HG   PRO  32          2HG       PRO  32  -8.791  -5.502  11.925
  361   1HD   PRO  32          1HD       PRO  32 -10.072  -5.444   9.530
  362   2HD   PRO  32          2HD       PRO  32  -8.509  -6.292   9.717
  363    QB   PRO  32           QB       PRO  32  -9.308  -7.768  12.529
  364    QG   PRO  32           QG       PRO  32  -9.684  -5.562  11.868
  365    QD   PRO  32           QD       PRO  32  -9.290  -5.868   9.624
  366    H    ASP  33           H        ASP  33 -12.501  -7.408   9.678
  367    HA   ASP  33           HA       ASP  33 -14.441  -8.360  11.670
  368   1HB   ASP  33          1HB       ASP  33 -16.113  -7.086  10.380
  369   2HB   ASP  33          2HB       ASP  33 -14.849  -6.118  11.132
  370    QB   ASP  33           QB       ASP  33 -15.481  -6.602  10.756
  371    H    LYS  34           H        LYS  34 -13.725  -8.587   8.199
  372    HA   LYS  34           HA       LYS  34 -15.567 -10.782   7.804
  373   1HB   LYS  34          1HB       LYS  34 -15.239  -9.251   6.031
  374   2HB   LYS  34          2HB       LYS  34 -13.499  -9.342   6.107
  375   1HG   LYS  34          1HG       LYS  34 -15.170 -11.721   5.196
  376   2HG   LYS  34          2HG       LYS  34 -14.711 -10.397   4.129
  377   1HD   LYS  34          1HD       LYS  34 -12.263 -10.886   4.994
  378   2HD   LYS  34          2HD       LYS  34 -12.924 -12.490   5.366
  379   1HE   LYS  34          1HE       LYS  34 -13.483 -12.907   3.079
  380   2HE   LYS  34          2HE       LYS  34 -13.283 -11.194   2.658
  381   1HZ   LYS  34          3HZ       LYS  34 -10.952 -11.403   3.208
  382   2HZ   LYS  34          1HZ       LYS  34 -11.085 -13.054   3.333
  383   3HZ   LYS  34          2HZ       LYS  34 -11.377 -12.262   1.899
  384    QB   LYS  34           QB       LYS  34 -14.369  -9.297   6.069
  385    QG   LYS  34           QG       LYS  34 -14.940 -11.059   4.663
  386    QD   LYS  34           QD       LYS  34 -12.593 -11.688   5.180
  387    QE   LYS  34           QE       LYS  34 -13.383 -12.051   2.868
  388    QZ   LYS  34           QZ       LYS  34 -11.138 -12.240   2.813
  389    H    ASN  35           H        ASN  35 -11.963 -10.632   8.087
  390    HA   ASN  35           HA       ASN  35 -11.901 -13.492   7.297
  391   1HB   ASN  35          1HB       ASN  35 -10.291 -11.396   6.550
  392   2HB   ASN  35          2HB       ASN  35  -9.351 -12.045   7.888
  393   1HD2  ASN  35          2HD2      ASN  35  -7.865 -14.341   5.729
  394   2HD2  ASN  35          1HD2      ASN  35  -7.631 -12.704   6.291
  395    QB   ASN  35           QB       ASN  35  -9.821 -11.721   7.219
  396    QD2  ASN  35           QD2      ASN  35  -7.748 -13.522   6.010
  397    H    LYS  36           H        LYS  36 -11.094 -11.370   9.938
  398    HA   LYS  36           HA       LYS  36 -10.469 -11.660  12.064
  399   1HB   LYS  36          1HB       LYS  36 -12.238 -14.029  11.656
  400   2HB   LYS  36          2HB       LYS  36 -11.636 -13.575  13.263
  401   1HG   LYS  36          1HG       LYS  36 -12.541 -11.346  13.005
  402   2HG   LYS  36          2HG       LYS  36 -13.186 -11.702  11.397
  403   1HD   LYS  36          1HD       LYS  36 -14.849 -13.191  12.312
  404   2HD   LYS  36          2HD       LYS  36 -14.061 -13.159  13.911
  405   1HE   LYS  36          1HE       LYS  36 -14.342 -10.571  13.760
  406   2HE   LYS  36          2HE       LYS  36 -15.500 -10.882  12.471
  407   1HZ   LYS  36          2HZ       LYS  36 -15.695 -12.037  15.187
  408   2HZ   LYS  36          3HZ       LYS  36 -16.351 -10.598  14.780
  409   3HZ   LYS  36          1HZ       LYS  36 -16.888 -11.991  14.039
  410    QB   LYS  36           QB       LYS  36 -11.937 -13.802  12.460
  411    QG   LYS  36           QG       LYS  36 -12.863 -11.524  12.201
  412    QD   LYS  36           QD       LYS  36 -14.455 -13.175  13.112
  413    QE   LYS  36           QE       LYS  36 -14.921 -10.726  13.115
  414    QZ   LYS  36           QZ       LYS  36 -16.311 -11.542  14.669
  415    H    GLU  37           H        GLU  37  -8.601 -12.594  10.055
  416    HA   GLU  37           HA       GLU  37  -7.495 -15.092  10.687
  417   1HB   GLU  37          1HB       GLU  37  -7.475 -13.819   8.549
  418   2HB   GLU  37          2HB       GLU  37  -6.204 -12.796   9.180
  419   1HG   GLU  37          1HG       GLU  37  -5.790 -15.792   9.268
  420   2HG   GLU  37          2HG       GLU  37  -5.881 -15.048   7.696
  421    QB   GLU  37           QB       GLU  37  -6.839 -13.307   8.864
  422    QG   GLU  37           QG       GLU  37  -5.836 -15.420   8.482
  423    HA   PRO  38           HA       PRO  38  -5.859 -13.640  14.448
  424   1HB   PRO  38          1HB       PRO  38  -4.004 -15.542  15.202
  425   2HB   PRO  38          2HB       PRO  38  -5.777 -15.787  15.192
  426   1HG   PRO  38          1HG       PRO  38  -3.779 -16.571  13.054
  427   2HG   PRO  38          2HG       PRO  38  -5.103 -17.562  13.748
  428   1HD   PRO  38          1HD       PRO  38  -5.373 -16.234  11.390
  429   2HD   PRO  38          2HD       PRO  38  -6.741 -16.373  12.529
  430    QB   PRO  38           QB       PRO  38  -4.890 -15.665  15.197
  431    QG   PRO  38           QG       PRO  38  -4.441 -17.067  13.401
  432    QD   PRO  38           QD       PRO  38  -6.057 -16.304  11.960
  433    H    GLY  39           H        GLY  39  -4.692 -11.900  14.779
  434   1HA   GLY  39          1HA       GLY  39  -2.805 -10.575  15.060
  435   2HA   GLY  39          2HA       GLY  39  -1.794 -11.801  14.287
  436    QA   GLY  39           QA       GLY  39  -2.299 -11.188  14.674
  437    H    ALA  40           H        ALA  40  -4.374 -11.383  12.164
  438    HA   ALA  40           HA       ALA  40  -2.828  -9.775  10.347
  439   1HB   ALA  40          3HB       ALA  40  -4.404 -11.474   9.572
  440   2HB   ALA  40          1HB       ALA  40  -5.757 -10.533  10.240
  441   3HB   ALA  40          2HB       ALA  40  -4.800  -9.882   8.900
  442    QB   ALA  40           QB       ALA  40  -4.987 -10.630   9.571
  443    H    GLU  41           H        GLU  41  -4.597  -8.828  13.094
  444    HA   GLU  41           HA       GLU  41  -5.586  -6.264  12.488
  445   1HB   GLU  41          1HB       GLU  41  -5.734  -7.171  14.743
  446   2HB   GLU  41          2HB       GLU  41  -3.990  -7.351  14.836
  447   1HG   GLU  41          1HG       GLU  41  -3.723  -4.867  14.807
  448   2HG   GLU  41          2HG       GLU  41  -5.474  -4.689  14.675
  449    QB   GLU  41           QB       GLU  41  -4.862  -7.261  14.790
  450    QG   GLU  41           QG       GLU  41  -4.599  -4.778  14.741
  451    H    GLU  42           H        GLU  42  -2.260  -7.422  13.035
  452    HA   GLU  42           HA       GLU  42  -1.016  -4.843  12.844
  453   1HB   GLU  42          1HB       GLU  42  -0.165  -6.734  14.142
  454   2HB   GLU  42          2HB       GLU  42   0.095  -7.677  12.665
  455   1HG   GLU  42          1HG       GLU  42   1.774  -6.131  11.878
  456   2HG   GLU  42          2HG       GLU  42   1.430  -4.990  13.182
  457    QB   GLU  42           QB       GLU  42  -0.035  -7.205  13.403
  458    QG   GLU  42           QG       GLU  42   1.602  -5.560  12.530
  459    H    LYS  43           H        LYS  43  -1.307  -7.613  10.628
  460    HA   LYS  43           HA       LYS  43   0.087  -6.611   8.444
  461   1HB   LYS  43          1HB       LYS  43  -1.220  -8.919   8.939
  462   2HB   LYS  43          2HB       LYS  43  -2.490  -8.162   8.029
  463   1HG   LYS  43          1HG       LYS  43  -1.267  -9.482   6.492
  464   2HG   LYS  43          2HG       LYS  43  -0.898  -7.807   6.120
  465   1HD   LYS  43          1HD       LYS  43   1.089  -9.197   5.945
  466   2HD   LYS  43          2HD       LYS  43   1.310  -8.059   7.277
  467   1HE   LYS  43          1HE       LYS  43   0.812  -9.816   8.909
  468   2HE   LYS  43          2HE       LYS  43   0.351 -10.947   7.622
  469   1HZ   LYS  43          3HZ       LYS  43   3.097  -9.853   7.828
  470   2HZ   LYS  43          1HZ       LYS  43   2.615 -11.223   8.580
  471   3HZ   LYS  43          2HZ       LYS  43   2.570 -11.140   6.945
  472    QB   LYS  43           QB       LYS  43  -1.855  -8.540   8.484
  473    QG   LYS  43           QG       LYS  43  -1.082  -8.644   6.306
  474    QD   LYS  43           QD       LYS  43   1.200  -8.628   6.611
  475    QE   LYS  43           QE       LYS  43   0.582 -10.382   8.265
  476    QZ   LYS  43           QZ       LYS  43   2.761 -10.739   7.784
  477    H    PHE  44           H        PHE  44  -3.301  -6.282   9.284
  478    HA   PHE  44           HA       PHE  44  -4.136  -4.667   7.084
  479   1HB   PHE  44          1HB       PHE  44  -5.595  -6.055   8.557
  480   2HB   PHE  44          2HB       PHE  44  -5.336  -4.924   9.867
  481    HD1  PHE  44          1HD       PHE  44  -6.833  -5.386   6.508
  482    HD2  PHE  44          2HD       PHE  44  -6.614  -2.792   9.962
  483    HE1  PHE  44          1HE       PHE  44  -8.779  -4.119   5.682
  484    HE2  PHE  44          2HE       PHE  44  -8.585  -1.553   9.130
  485   1HZ   PHE  44           HZ       PHE  44  -9.641  -2.187   6.970
  486    QB   PHE  44           QB       PHE  44  -5.466  -5.489   9.212
  487    QG   PHE  44           QD       PHE  44  -6.723  -4.089   8.235
  488    QZ   PHE  44           QE       PHE  44  -8.682  -2.836   7.406
  489    QZ   PHE  44           QR       PHE  44  -8.090  -3.207   7.650
  490    H    LYS  45           H        LYS  45  -3.025  -3.822  10.398
  491    HA   LYS  45           HA       LYS  45  -3.169  -0.974  10.133
  492   1HB   LYS  45          1HB       LYS  45  -1.780  -2.935  11.922
  493   2HB   LYS  45          2HB       LYS  45  -1.037  -1.363  11.821
  494   1HG   LYS  45          1HG       LYS  45  -4.019  -1.550  12.304
  495   2HG   LYS  45          2HG       LYS  45  -2.910  -1.881  13.627
  496   1HD   LYS  45          1HD       LYS  45  -2.836   0.701  11.999
  497   2HD   LYS  45          2HD       LYS  45  -3.737   0.491  13.512
  498   1HE   LYS  45          1HE       LYS  45  -1.594  -0.178  14.654
  499   2HE   LYS  45          2HE       LYS  45  -0.711   0.210  13.171
  500   1HZ   LYS  45          3HZ       LYS  45  -2.341   2.148  14.708
  501   2HZ   LYS  45          1HZ       LYS  45  -0.726   2.043  14.797
  502   3HZ   LYS  45          2HZ       LYS  45  -1.400   2.503  13.395
  503    QB   LYS  45           QB       LYS  45  -1.409  -2.149  11.871
  504    QG   LYS  45           QG       LYS  45  -3.464  -1.716  12.966
  505    QD   LYS  45           QD       LYS  45  -3.286   0.596  12.756
  506    QE   LYS  45           QE       LYS  45  -1.152   0.016  13.913
  507    QZ   LYS  45           QZ       LYS  45  -1.489   2.231  14.300
  508    H    GLU  46           H        GLU  46  -0.548  -3.296   9.091
  509    HA   GLU  46           HA       GLU  46   1.201  -1.299   8.409
  510   1HB   GLU  46          1HB       GLU  46   1.058  -4.087   8.367
  511   2HB   GLU  46          2HB       GLU  46   1.417  -3.648   6.689
  512   1HG   GLU  46          1HG       GLU  46   3.079  -1.994   8.053
  513   2HG   GLU  46          2HG       GLU  46   2.992  -3.296   9.216
  514    QB   GLU  46           QB       GLU  46   1.237  -3.867   7.528
  515    QG   GLU  46           QG       GLU  46   3.035  -2.645   8.634
  516    H    ILE  47           H        ILE  47  -1.231  -3.049   6.564
  517    HA   ILE  47           HA       ILE  47  -1.259  -1.408   4.173
  518    HB   ILE  47           HB       ILE  47  -3.227  -3.472   5.114
  519   1HG1  ILE  47          1HG1      ILE  47  -0.926  -3.761   3.100
  520   2HG1  ILE  47          2HG1      ILE  47  -0.760  -4.262   4.778
  521   1HG2  ILE  47          2HG2      ILE  47  -4.065  -1.948   3.232
  522   2HG2  ILE  47          3HG2      ILE  47  -2.667  -2.431   2.278
  523   3HG2  ILE  47          1HG2      ILE  47  -3.924  -3.600   2.759
  524   1HD1  ILE  47          2HD1      ILE  47  -2.746  -5.695   4.558
  525   2HD1  ILE  47          3HD1      ILE  47  -2.721  -5.391   2.794
  526   3HD1  ILE  47          1HD1      ILE  47  -1.332  -6.171   3.578
  527    QG1  ILE  47           QG1      ILE  47  -0.843  -4.012   3.939
  528    QG2  ILE  47           QG2      ILE  47  -3.552  -2.660   2.757
  529    QD1  ILE  47           QD1      ILE  47  -2.266  -5.753   3.643
  530    H    ALA  48           H        ALA  48  -1.327   0.178   6.460
  531    HA   ALA  48           HA       ALA  48  -3.886   1.587   6.058
  532   1HB   ALA  48          2HB       ALA  48  -3.735   0.529   8.431
  533   2HB   ALA  48          3HB       ALA  48  -2.464   1.715   8.740
  534   3HB   ALA  48          1HB       ALA  48  -4.082   2.263   8.310
  535    QB   ALA  48           QB       ALA  48  -3.427   1.502   8.494
  536    H    GLU  49           H        GLU  49  -0.602   1.836   7.492
  537    HA   GLU  49           HA       GLU  49  -0.282   4.584   6.627
  538   1HB   GLU  49          1HB       GLU  49   0.551   3.779   8.716
  539   2HB   GLU  49          2HB       GLU  49   1.571   2.574   7.970
  540   1HG   GLU  49          1HG       GLU  49   1.945   5.500   7.235
  541   2HG   GLU  49          2HG       GLU  49   2.431   4.968   8.836
  542    QB   GLU  49           QB       GLU  49   1.061   3.176   8.343
  543    QG   GLU  49           QG       GLU  49   2.188   5.234   8.035
  544    H    ALA  50           H        ALA  50   0.769   1.398   5.368
  545    HA   ALA  50           HA       ALA  50   2.480   2.583   3.312
  546   1HB   ALA  50          2HB       ALA  50   1.193  -0.170   3.488
  547   2HB   ALA  50          3HB       ALA  50   2.401   0.351   2.297
  548   3HB   ALA  50          1HB       ALA  50   2.841   0.274   4.009
  549    QB   ALA  50           QB       ALA  50   2.145   0.152   3.265
  550    H    TYR  51           H        TYR  51  -0.796   1.534   3.742
  551    HA   TYR  51           HA       TYR  51  -1.784   1.520   1.074
  552   1HB   TYR  51          1HB       TYR  51  -2.560   0.314   3.083
  553   2HB   TYR  51          2HB       TYR  51  -3.114   1.815   3.788
  554    HD1  TYR  51          1HD       TYR  51  -3.689  -0.619   1.029
  555    HD2  TYR  51          2HD       TYR  51  -5.335   2.544   3.473
  556    HE1  TYR  51          1HE       TYR  51  -5.986  -1.394   0.510
  557    HE2  TYR  51          2HE       TYR  51  -7.602   1.822   2.886
  558    HH   TYR  51           HH       TYR  51  -8.801  -0.152   2.134
  559    QB   TYR  51           QB       TYR  51  -2.837   1.064   3.436
  560    QG   TYR  51           QD       TYR  51  -4.512   0.963   2.251
  561    QZ   TYR  51           QE       TYR  51  -6.794   0.214   1.698
  562    QR   TYR  51           QR       TYR  51  -5.653   0.588   1.975
  563    H    ASP  52           H        ASP  52  -1.908   4.033   3.693
  564    HA   ASP  52           HA       ASP  52  -3.478   5.879   2.312
  565   1HB   ASP  52          1HB       ASP  52  -2.682   5.860   4.779
  566   2HB   ASP  52          2HB       ASP  52  -1.240   6.679   4.208
  567    QB   ASP  52           QB       ASP  52  -1.961   6.270   4.494
  568    H    VAL  53           H        VAL  53   0.091   5.671   2.505
  569    HA   VAL  53           HA       VAL  53   0.712   7.824   0.750
  570    HB   VAL  53           HB       VAL  53   2.090   5.293   1.730
  571   1HG1  VAL  53          1HG1      VAL  53   3.231   7.071  -0.452
  572   2HG1  VAL  53          2HG1      VAL  53   4.207   5.983   0.567
  573   3HG1  VAL  53          3HG1      VAL  53   2.983   5.316  -0.496
  574   1HG2  VAL  53          1HG2      VAL  53   1.929   7.253   3.182
  575   2HG2  VAL  53          2HG2      VAL  53   3.613   6.904   2.752
  576   3HG2  VAL  53          3HG2      VAL  53   2.753   8.245   1.953
  577    QG1  VAL  53           QG1      VAL  53   3.474   6.123  -0.127
  578    QG2  VAL  53           QG2      VAL  53   2.765   7.467   2.629
  579    QQG  VAL  53           QQG      VAL  53   3.119   6.795   1.251
  580    H    LEU  54           H        LEU  54   0.208   4.327   0.182
  581    HA   LEU  54           HA       LEU  54   0.986   4.322  -2.518
  582   1HB   LEU  54          1HB       LEU  54  -0.674   2.556  -0.761
  583   2HB   LEU  54          2HB       LEU  54  -0.657   2.322  -2.493
  584    HG   LEU  54           HG       LEU  54   1.976   2.552  -1.044
  585   1HD1  LEU  54          3HD1      LEU  54   0.065   0.243  -1.073
  586   2HD1  LEU  54          1HD1      LEU  54   1.757  -0.104  -1.401
  587   3HD1  LEU  54          2HD1      LEU  54   1.326   0.699   0.110
  588   1HD2  LEU  54          3HD2      LEU  54   1.938   2.653  -3.550
  589   2HD2  LEU  54          1HD2      LEU  54   2.765   1.233  -2.930
  590   3HD2  LEU  54          2HD2      LEU  54   1.129   1.077  -3.574
  591    QB   LEU  54           QB       LEU  54  -0.665   2.439  -1.627
  592    QD1  LEU  54           QD1      LEU  54   1.049   0.279  -0.788
  593    QD2  LEU  54           QD2      LEU  54   1.944   1.655  -3.351
  594    QQD  LEU  54           QQD      LEU  54   1.497   0.967  -2.070
  595    H    SER  55           H        SER  55  -2.203   5.129  -1.066
  596    HA   SER  55           HA       SER  55  -3.403   5.418  -3.704
  597   1HB   SER  55          1HB       SER  55  -5.254   6.485  -2.493
  598   2HB   SER  55          2HB       SER  55  -4.835   4.891  -1.909
  599    HG   SER  55           HG       SER  55  -3.443   6.685  -0.438
  600    QB   SER  55           QB       SER  55  -5.044   5.688  -2.201
  601    H    ASP  56           H        ASP  56  -1.398   7.571  -1.744
  602    HA   ASP  56           HA       ASP  56  -2.870   9.947  -2.433
  603   1HB   ASP  56          1HB       ASP  56  -1.836   9.665  -0.261
  604   2HB   ASP  56          2HB       ASP  56  -0.242   9.467  -0.983
  605    QB   ASP  56           QB       ASP  56  -1.039   9.566  -0.622
  606    HA   PRO  57           HA       PRO  57  -0.489   9.884  -6.221
  607   1HB   PRO  57          1HB       PRO  57  -1.695  11.920  -7.649
  608   2HB   PRO  57          2HB       PRO  57  -2.502  10.353  -7.350
  609   1HG   PRO  57          1HG       PRO  57  -2.783  12.928  -5.768
  610   2HG   PRO  57          2HG       PRO  57  -4.090  11.898  -6.425
  611   1HD   PRO  57          1HD       PRO  57  -3.249  11.699  -3.837
  612   2HD   PRO  57          2HD       PRO  57  -3.730  10.248  -4.771
  613    QB   PRO  57           QB       PRO  57  -2.099  11.137  -7.500
  614    QG   PRO  57           QG       PRO  57  -3.437  12.413  -6.097
  615    QD   PRO  57           QD       PRO  57  -3.489  10.974  -4.304
  616    H    ARG  58           H        ARG  58  -0.417  12.439  -3.911
  617    HA   ARG  58           HA       ARG  58   1.563  14.005  -5.547
  618   1HB   ARG  58          1HB       ARG  58  -0.168  14.712  -3.126
  619   2HB   ARG  58          2HB       ARG  58   1.127  15.735  -3.767
  620   1HG   ARG  58          1HG       ARG  58  -0.025  15.928  -5.916
  621   2HG   ARG  58          2HG       ARG  58  -1.306  14.837  -5.371
  622   1HD   ARG  58          1HD       ARG  58  -1.988  17.206  -5.254
  623   2HD   ARG  58          2HD       ARG  58  -2.040  16.384  -3.693
  624    HE   ARG  58           HE       ARG  58   0.167  17.394  -3.176
  625   1HH1  ARG  58          2HH2      ARG  58  -2.057  19.198  -5.337
  626   2HH1  ARG  58          1HH2      ARG  58  -1.483  20.731  -4.812
  627   1HH2  ARG  58          2HH1      ARG  58   1.111  19.370  -2.782
  628   2HH2  ARG  58          1HH1      ARG  58   0.256  20.839  -3.217
  629    QB   ARG  58           QB       ARG  58   0.479  15.224  -3.447
  630    QG   ARG  58           QG       ARG  58  -0.666  15.382  -5.644
  631    QD   ARG  58           QD       ARG  58  -2.014  16.795  -4.474
  632    QH1  ARG  58           QH2      ARG  58  -1.770  19.965  -5.075
  633    QH2  ARG  58           QH1      ARG  58   0.683  20.105  -2.999
  634    H    LYS  59           H        LYS  59   1.004  12.403  -2.362
  635    HA   LYS  59           HA       LYS  59   3.783  12.940  -1.624
  636   1HB   LYS  59          1HB       LYS  59   1.838  12.427   0.030
  637   2HB   LYS  59          2HB       LYS  59   2.028  10.744  -0.456
  638   1HG   LYS  59          1HG       LYS  59   3.407  10.755   1.368
  639   2HG   LYS  59          2HG       LYS  59   4.598  11.199   0.162
  640   1HD   LYS  59          1HD       LYS  59   3.147  13.068   2.092
  641   2HD   LYS  59          2HD       LYS  59   4.846  12.572   2.148
  642   1HE   LYS  59          1HE       LYS  59   5.077  13.674  -0.169
  643   2HE   LYS  59          2HE       LYS  59   3.477  14.384   0.122
  644   1HZ   LYS  59          3HZ       LYS  59   4.452  15.437   2.124
  645   2HZ   LYS  59          1HZ       LYS  59   5.934  14.806   1.712
  646   3HZ   LYS  59          2HZ       LYS  59   5.187  15.889   0.743
  647    QB   LYS  59           QB       LYS  59   1.933  11.586  -0.213
  648    QG   LYS  59           QG       LYS  59   4.002  10.977   0.765
  649    QD   LYS  59           QD       LYS  59   3.996  12.820   2.120
  650    QE   LYS  59           QE       LYS  59   4.277  14.029  -0.023
  651    QZ   LYS  59           QZ       LYS  59   5.191  15.377   1.527
  652    H    ARG  60           H        ARG  60   1.962  10.063  -3.097
  653    HA   ARG  60           HA       ARG  60   4.397   8.648  -3.236
  654   1HB   ARG  60          1HB       ARG  60   1.751   7.981  -3.621
  655   2HB   ARG  60          2HB       ARG  60   2.343   8.004  -5.296
  656   1HG   ARG  60          1HG       ARG  60   4.291   6.544  -4.458
  657   2HG   ARG  60          2HG       ARG  60   3.483   6.606  -2.867
  658   1HD   ARG  60          1HD       ARG  60   2.825   4.568  -3.799
  659   2HD   ARG  60          2HD       ARG  60   1.440   5.658  -3.984
  660    HE   ARG  60           HE       ARG  60   3.341   4.791  -6.138
  661   1HH1  ARG  60          2HH2      ARG  60   0.003   5.762  -5.339
  662   2HH1  ARG  60          1HH2      ARG  60  -0.461   6.032  -6.967
  663   1HH2  ARG  60          2HH1      ARG  60   2.767   5.199  -8.289
  664   2HH2  ARG  60          1HH1      ARG  60   1.264   5.965  -8.656
  665    QB   ARG  60           QB       ARG  60   2.047   7.992  -4.458
  666    QG   ARG  60           QG       ARG  60   3.887   6.575  -3.662
  667    QD   ARG  60           QD       ARG  60   2.132   5.113  -3.891
  668    QH1  ARG  60           QH2      ARG  60  -0.229   5.897  -6.153
  669    QH2  ARG  60           QH1      ARG  60   2.016   5.582  -8.473
  670    H    GLU  61           H        GLU  61   3.188  11.251  -5.320
  671    HA   GLU  61           HA       GLU  61   4.575  10.652  -7.674
  672   1HB   GLU  61          1HB       GLU  61   3.088  12.520  -7.380
  673   2HB   GLU  61          2HB       GLU  61   4.114  13.297  -6.218
  674   1HG   GLU  61          1HG       GLU  61   5.007  12.790  -9.068
  675   2HG   GLU  61          2HG       GLU  61   3.976  14.151  -8.672
  676    QB   GLU  61           QB       GLU  61   3.601  12.909  -6.799
  677    QG   GLU  61           QG       GLU  61   4.492  13.471  -8.870
  678    H    ILE  62           H        ILE  62   5.763  11.929  -4.635
  679    HA   ILE  62           HA       ILE  62   8.456  12.373  -5.537
  680    HB   ILE  62           HB       ILE  62   7.644  11.959  -2.638
  681   1HG1  ILE  62          1HG1      ILE  62   7.379  14.542  -4.247
  682   2HG1  ILE  62          2HG1      ILE  62   6.038  13.587  -3.612
  683   1HG2  ILE  62          3HG2      ILE  62  10.032  12.095  -3.214
  684   2HG2  ILE  62          1HG2      ILE  62   9.779  13.657  -4.025
  685   3HG2  ILE  62          2HG2      ILE  62   9.578  13.499  -2.277
  686   1HD1  ILE  62          1HD1      ILE  62   6.900  13.923  -1.297
  687   2HD1  ILE  62          2HD1      ILE  62   8.104  15.055  -1.946
  688   3HD1  ILE  62          3HD1      ILE  62   6.386  15.419  -2.127
  689    QG1  ILE  62           QG1      ILE  62   6.708  14.065  -3.930
  690    QG2  ILE  62           QG2      ILE  62   9.796  13.084  -3.172
  691    QD1  ILE  62           QD1      ILE  62   7.130  14.799  -1.790
  692    H    PHE  63           H        PHE  63   6.969   9.676  -3.595
  693    HA   PHE  63           HA       PHE  63   9.426   8.162  -3.489
  694   1HB   PHE  63          1HB       PHE  63   7.564   7.883  -1.893
  695   2HB   PHE  63          2HB       PHE  63   6.491   7.372  -3.180
  696    HD1  PHE  63          1HD       PHE  63   9.504   6.406  -1.206
  697    HD2  PHE  63          2HD       PHE  63   6.427   5.093  -3.922
  698    HE1  PHE  63          1HE       PHE  63  10.022   4.024  -0.664
  699    HE2  PHE  63          2HE       PHE  63   6.985   2.715  -3.368
  700   1HZ   PHE  63           HZ       PHE  63   8.732   2.203  -1.718
  701    QB   PHE  63           QB       PHE  63   7.027   7.628  -2.537
  702    QG   PHE  63           QD       PHE  63   7.965   5.750  -2.564
  703    QZ   PHE  63           QE       PHE  63   8.504   3.370  -2.016
  704    QZ   PHE  63           QR       PHE  63   8.334   4.088  -2.176
  705    H    ASP  64           H        ASP  64   6.938   8.537  -5.922
  706    HA   ASP  64           HA       ASP  64   7.592   6.245  -7.534
  707   1HB   ASP  64          1HB       ASP  64   5.371   7.280  -7.637
  708   2HB   ASP  64          2HB       ASP  64   6.085   8.825  -8.108
  709    QB   ASP  64           QB       ASP  64   5.728   8.053  -7.873
  710    H    ARG  65           H        ARG  65   8.562   9.719  -7.500
  711    HA   ARG  65           HA       ARG  65  10.135   9.431  -9.947
  712   1HB   ARG  65          1HB       ARG  65   9.369  11.573  -9.636
  713   2HB   ARG  65          2HB       ARG  65   9.728  11.587  -7.932
  714   1HG   ARG  65          1HG       ARG  65  11.914  12.159  -8.187
  715   2HG   ARG  65          2HG       ARG  65  12.101  11.317  -9.712
  716   1HD   ARG  65          1HD       ARG  65  12.349  13.765  -9.911
  717   2HD   ARG  65          2HD       ARG  65  11.134  13.046 -10.977
  718    HE   ARG  65           HE       ARG  65   9.818  13.943  -8.622
  719   1HH1  ARG  65          2HH2      ARG  65  11.693  15.447 -11.244
  720   2HH1  ARG  65          1HH2      ARG  65  10.636  16.804 -11.416
  721   1HH2  ARG  65          2HH1      ARG  65   8.288  15.596  -9.058
  722   2HH2  ARG  65          1HH1      ARG  65   8.716  16.967 -10.050
  723    QB   ARG  65           QB       ARG  65   9.549  11.580  -8.784
  724    QG   ARG  65           QG       ARG  65  12.008  11.738  -8.949
  725    QD   ARG  65           QD       ARG  65  11.741  13.405 -10.444
  726    QH1  ARG  65           QH2      ARG  65  11.164  16.126 -11.330
  727    QH2  ARG  65           QH1      ARG  65   8.502  16.281  -9.554
  728    H    TYR  66           H        TYR  66  10.925   9.917  -6.494
  729    HA   TYR  66           HA       TYR  66  13.669   8.940  -7.018
  730   1HB   TYR  66          1HB       TYR  66  12.618  10.135  -4.418
  731   2HB   TYR  66          2HB       TYR  66  14.279   9.889  -4.959
  732    HD1  TYR  66          1HD       TYR  66  15.114  11.250  -6.990
  733    HD2  TYR  66          2HD       TYR  66  11.498  12.170  -4.842
  734    HE1  TYR  66          1HE       TYR  66  15.117  13.516  -7.958
  735    HE2  TYR  66          2HE       TYR  66  11.480  14.455  -5.804
  736    HH   TYR  66           HH       TYR  66  12.522  15.914  -7.506
  737    QB   TYR  66           QB       TYR  66  13.449  10.012  -4.689
  738    QG   TYR  66           QD       TYR  66  13.306  11.710  -5.916
  739    QZ   TYR  66           QE       TYR  66  13.299  13.985  -6.881
  740    QR   TYR  66           QR       TYR  66  13.302  12.848  -6.399
  741    H    GLY  67           H        GLY  67  11.901   8.447  -3.973
  742   1HA   GLY  67          1HA       GLY  67  11.032   5.872  -3.941
  743   2HA   GLY  67          2HA       GLY  67  12.783   5.643  -4.100
  744    QA   GLY  67           QA       GLY  67  11.907   5.757  -4.020
  745    H    GLU  68           H        GLU  68  12.610   4.562  -2.003
  746    HA   GLU  68           HA       GLU  68  11.899   5.872   0.415
  747   1HB   GLU  68          1HB       GLU  68  13.433   4.177   1.462
  748   2HB   GLU  68          2HB       GLU  68  12.165   3.502   0.435
  749   1HG   GLU  68          1HG       GLU  68  13.703   3.008  -1.337
  750   2HG   GLU  68          2HG       GLU  68  14.983   3.980  -0.615
  751    QB   GLU  68           QB       GLU  68  12.799   3.839   0.949
  752    QG   GLU  68           QG       GLU  68  14.343   3.494  -0.976
  753    H    GLU  69           H        GLU  69  14.868   5.907  -1.494
  754    HA   GLU  69           HA       GLU  69  16.506   7.365   0.345
  755   1HB   GLU  69          1HB       GLU  69  17.990   7.525  -1.539
  756   2HB   GLU  69          2HB       GLU  69  17.362   5.897  -1.454
  757   1HG   GLU  69          1HG       GLU  69  16.315   5.981  -3.461
  758   2HG   GLU  69          2HG       GLU  69  15.699   7.599  -3.225
  759    QB   GLU  69           QB       GLU  69  17.676   6.711  -1.497
  760    QG   GLU  69           QG       GLU  69  16.007   6.790  -3.343
  761    H    GLY  70           H        GLY  70  13.727   8.442  -1.010
  762   1HA   GLY  70          1HA       GLY  70  14.683  11.169  -1.804
  763   2HA   GLY  70          2HA       GLY  70  13.920  10.072  -2.870
  764    QA   GLY  70           QA       GLY  70  14.301  10.620  -2.337
  765    H    LEU  71           H        LEU  71  12.447   9.655   0.186
  766    HA   LEU  71           HA       LEU  71   9.971  10.578  -0.885
  767   1HB   LEU  71          1HB       LEU  71  10.227   8.855   0.945
  768   2HB   LEU  71          2HB       LEU  71  10.709  10.151   2.042
  769    HG   LEU  71           HG       LEU  71   8.402  11.233   1.600
  770   1HD1  LEU  71          1HD1      LEU  71   7.834   8.480   0.421
  771   2HD1  LEU  71          2HD1      LEU  71   6.626   9.726   0.792
  772   3HD1  LEU  71          3HD1      LEU  71   7.816  10.020  -0.478
  773   1HD2  LEU  71          1HD2      LEU  71   8.589   8.544   2.943
  774   2HD2  LEU  71          2HD2      LEU  71   8.856  10.138   3.672
  775   3HD2  LEU  71          3HD2      LEU  71   7.234   9.682   3.130
  776    QB   LEU  71           QB       LEU  71  10.468   9.503   1.493
  777    QD1  LEU  71           QD1      LEU  71   7.426   9.408   0.245
  778    QD2  LEU  71           QD2      LEU  71   8.226   9.455   3.248
  779    QQD  LEU  71           QQD      LEU  71   7.826   9.432   1.747
  780    H    LYS  72           H        LYS  72  12.447  12.260   0.997
  781    HA   LYS  72           HA       LYS  72  10.687  14.582   1.410
  782   1HB   LYS  72          1HB       LYS  72  12.572  13.510   3.030
  783   2HB   LYS  72          2HB       LYS  72  13.594  14.635   2.132
  784   1HG   LYS  72          1HG       LYS  72  12.832  15.830   4.025
  785   2HG   LYS  72          2HG       LYS  72  11.847  16.437   2.692
  786   1HD   LYS  72          1HD       LYS  72  10.129  14.541   3.533
  787   2HD   LYS  72          2HD       LYS  72  11.129  14.602   4.981
  788   1HE   LYS  72          1HE       LYS  72   9.475  16.193   5.475
  789   2HE   LYS  72          2HE       LYS  72  10.795  17.188   4.848
  790   1HZ   LYS  72          1HZ       LYS  72   9.561  16.850   2.603
  791   2HZ   LYS  72          2HZ       LYS  72   8.267  16.472   3.548
  792   3HZ   LYS  72          3HZ       LYS  72   8.992  17.942   3.692
  793    QB   LYS  72           QB       LYS  72  13.083  14.073   2.581
  794    QG   LYS  72           QG       LYS  72  12.339  16.133   3.358
  795    QD   LYS  72           QD       LYS  72  10.629  14.572   4.257
  796    QE   LYS  72           QE       LYS  72  10.135  16.691   5.161
  797    QZ   LYS  72           QZ       LYS  72   8.940  17.088   3.281
  798    H    GLY  73           H        GLY  73  12.341  13.499  -1.251
  799   1HA   GLY  73          1HA       GLY  73  14.042  15.540  -2.074
  800   2HA   GLY  73          2HA       GLY  73  13.128  14.454  -3.137
  801    QA   GLY  73           QA       GLY  73  13.585  14.997  -2.605
  802    H    SER  74           H        SER  74  13.556  17.630  -2.187
  803    HA   SER  74           HA       SER  74  12.582  19.596  -2.387
  804   1HB   SER  74          1HB       SER  74  10.511  18.317  -4.188
  805   2HB   SER  74          2HB       SER  74  10.698  20.044  -3.867
  806    HG   SER  74           HG       SER  74  12.850  18.463  -4.802
  807    QB   SER  74           QB       SER  74  10.604  19.181  -4.028
  808    H    GLY  75           H        GLY  75  12.092  20.050  -0.404
  809   1HA   GLY  75          1HA       GLY  75   9.988  18.845   1.199
  810   2HA   GLY  75          2HA       GLY  75  11.006  20.246   1.577
  811    QA   GLY  75           QA       GLY  75  10.497  19.546   1.388
  812    H    CYS  76           H        CYS  76  10.699  22.008  -0.168
  813    HA   CYS  76           HA       CYS  76   9.463  23.907  -0.466
  814   1HB   CYS  76          1HB       CYS  76   7.970  23.525  -2.512
  815   2HB   CYS  76          2HB       CYS  76   9.684  23.136  -2.637
  816    HG   CYS  76           HG       CYS  76   7.451  20.918  -1.676
  817    QB   CYS  76           QB       CYS  76   8.827  23.331  -2.574
   
  No H/Q in entry =         817
  Start of MODEL   13
    1    H    MET   0           H        MET   0  12.909   0.016  -0.331
    2    HA   MET   0           HA       MET   0  13.125  -2.256  -1.149
    3   1HB   MET   0          1HB       MET   0  14.610  -2.739  -2.703
    4   2HB   MET   0          2HB       MET   0  15.233  -1.108  -2.638
    5   1HG   MET   0          1HG       MET   0  17.129  -2.359  -2.386
    6   2HG   MET   0          2HG       MET   0  16.771  -1.966  -0.718
    7   1HE   MET   0          2HE       MET   0  18.384  -3.748   0.176
    8   2HE   MET   0          3HE       MET   0  18.382  -5.472  -0.254
    9   3HE   MET   0          1HE       MET   0  18.883  -4.269  -1.449
   10    QB   MET   0           QB       MET   0  14.922  -1.924  -2.671
   11    QG   MET   0           QG       MET   0  16.950  -2.162  -1.552
   12    QE   MET   0           QE       MET   0  18.550  -4.496  -0.509
   13    H    GLY   1           H        GLY   1  13.901  -3.929   0.245
   14   1HA   GLY   1          1HA       GLY   1  14.753  -4.763   2.291
   15   2HA   GLY   1          2HA       GLY   1  15.235  -3.134   2.776
   16    QA   GLY   1           QA       GLY   1  14.994  -3.948   2.534
   17    H    LYS   2           H        LYS   2  12.837  -1.864   2.047
   18    HA   LYS   2           HA       LYS   2  10.479  -3.220   2.889
   19   1HB   LYS   2          1HB       LYS   2  11.478  -1.850   4.943
   20   2HB   LYS   2          2HB       LYS   2  11.012  -0.449   3.990
   21   1HG   LYS   2          1HG       LYS   2   8.624  -1.340   3.987
   22   2HG   LYS   2          2HG       LYS   2   9.195  -2.672   5.006
   23   1HD   LYS   2          1HD       LYS   2   8.265  -1.089   6.514
   24   2HD   LYS   2          2HD       LYS   2  10.012  -0.909   6.645
   25   1HE   LYS   2          1HE       LYS   2   9.262   1.304   6.554
   26   2HE   LYS   2          2HE       LYS   2   9.807   0.994   4.909
   27   1HZ   LYS   2          3HZ       LYS   2   7.458   0.578   4.340
   28   2HZ   LYS   2          1HZ       LYS   2   7.044   0.987   5.910
   29   3HZ   LYS   2          2HZ       LYS   2   7.708   2.102   4.909
   30    QB   LYS   2           QB       LYS   2  11.245  -1.150   4.467
   31    QG   LYS   2           QG       LYS   2   8.910  -2.006   4.496
   32    QD   LYS   2           QD       LYS   2   9.138  -0.999   6.580
   33    QE   LYS   2           QE       LYS   2   9.534   1.149   5.732
   34    QZ   LYS   2           QZ       LYS   2   7.403   1.222   5.053
   35    H    ASP   3           H        ASP   3   8.679  -1.621   2.054
   36    HA   ASP   3           HA       ASP   3   9.082   0.723   0.613
   37   1HB   ASP   3          1HB       ASP   3  10.157  -0.385  -1.176
   38   2HB   ASP   3          2HB       ASP   3   9.145  -1.811  -1.031
   39    QB   ASP   3           QB       ASP   3   9.651  -1.098  -1.104
   40    H    TYR   4           H        TYR   4   6.741   0.392  -0.991
   41    HA   TYR   4           HA       TYR   4   4.642  -0.553   0.867
   42   1HB   TYR   4          1HB       TYR   4   4.714   1.869  -0.969
   43   2HB   TYR   4          2HB       TYR   4   3.336   1.378   0.005
   44    HD1  TYR   4          1HD       TYR   4   4.017   0.877   2.617
   45    HD2  TYR   4          2HD       TYR   4   6.179   3.530  -0.020
   46    HE1  TYR   4          1HE       TYR   4   4.881   2.041   4.546
   47    HE2  TYR   4          2HE       TYR   4   7.105   4.692   1.939
   48    HH   TYR   4           HH       TYR   4   6.097   3.860   5.305
   49    QB   TYR   4           QB       TYR   4   4.025   1.623  -0.482
   50    QG   TYR   4           QD       TYR   4   5.098   2.203   1.298
   51    QZ   TYR   4           QE       TYR   4   5.993   3.367   3.243
   52    QR   TYR   4           QR       TYR   4   5.546   2.785   2.271
   53    H    TYR   5           H        TYR   5   5.890  -0.565  -2.601
   54    HA   TYR   5           HA       TYR   5   3.449  -1.554  -3.747
   55   1HB   TYR   5          1HB       TYR   5   6.402  -1.991  -4.497
   56   2HB   TYR   5          2HB       TYR   5   5.043  -2.488  -5.382
   57    HD1  TYR   5          1HD       TYR   5   3.647   0.501  -4.771
   58    HD2  TYR   5          2HD       TYR   5   7.148  -1.179  -6.615
   59    HE1  TYR   5          1HE       TYR   5   3.757   2.439  -6.345
   60    HE2  TYR   5          2HE       TYR   5   7.240   0.698  -8.198
   61    HH   TYR   5           HH       TYR   5   4.975   3.467  -8.055
   62    QB   TYR   5           QB       TYR   5   5.722  -2.240  -4.940
   63    QG   TYR   5           QD       TYR   5   5.398  -0.339  -5.693
   64    QZ   TYR   5           QE       TYR   5   5.498   1.569  -7.271
   65    QR   TYR   5           QR       TYR   5   5.448   0.615  -6.482
   66    H    GLN   6           H        GLN   6   6.514  -2.926  -2.516
   67    HA   GLN   6           HA       GLN   6   5.858  -5.624  -2.910
   68   1HB   GLN   6          1HB       GLN   6   8.018  -4.061  -1.826
   69   2HB   GLN   6          2HB       GLN   6   7.746  -5.437  -0.754
   70   1HG   GLN   6          1HG       GLN   6   7.985  -6.996  -2.621
   71   2HG   GLN   6          2HG       GLN   6   8.076  -5.658  -3.775
   72   1HE2  GLN   6          2HE2      GLN   6  11.529  -6.930  -2.305
   73   2HE2  GLN   6          1HE2      GLN   6  10.038  -7.872  -2.281
   74    QB   GLN   6           QB       GLN   6   7.882  -4.749  -1.290
   75    QG   GLN   6           QG       GLN   6   8.031  -6.327  -3.198
   76    QE2  GLN   6           QE2      GLN   6  10.783  -7.401  -2.293
   77    H    THR   7           H        THR   7   5.224  -3.515  -0.100
   78    HA   THR   7           HA       THR   7   4.287  -5.495   1.692
   79    HB   THR   7           HB       THR   7   3.383  -2.593   1.445
   80    HG1  THR   7          1HG       THR   7   5.325  -2.068   2.486
   81   1HG2  THR   7          2HG2      THR   7   3.925  -4.382   3.868
   82   2HG2  THR   7          3HG2      THR   7   3.481  -2.668   3.944
   83   3HG2  THR   7          1HG2      THR   7   2.328  -3.854   3.304
   84    QG2  THR   7           QG2      THR   7   3.245  -3.635   3.705
   85    H    LEU   8           H        LEU   8   2.953  -4.197  -1.223
   86    HA   LEU   8           HA       LEU   8   0.332  -5.463  -0.707
   87   1HB   LEU   8          1HB       LEU   8   0.578  -2.870  -1.120
   88   2HB   LEU   8          2HB       LEU   8   0.864  -3.329  -2.787
   89    HG   LEU   8           HG       LEU   8  -1.393  -4.605  -2.656
   90   1HD1  LEU   8          3HD1      LEU   8  -1.531  -4.646  -0.145
   91   2HD1  LEU   8          1HD1      LEU   8  -1.687  -2.880  -0.159
   92   3HD1  LEU   8          2HD1      LEU   8  -2.942  -3.897  -0.889
   93   1HD2  LEU   8          3HD2      LEU   8  -1.186  -2.445  -3.803
   94   2HD2  LEU   8          1HD2      LEU   8  -2.736  -2.620  -2.995
   95   3HD2  LEU   8          2HD2      LEU   8  -1.491  -1.598  -2.261
   96    QB   LEU   8           QB       LEU   8   0.721  -3.099  -1.954
   97    QD1  LEU   8           QD1      LEU   8  -2.054  -3.807  -0.398
   98    QD2  LEU   8           QD2      LEU   8  -1.804  -2.221  -3.020
   99    QQD  LEU   8           QQD      LEU   8  -1.929  -3.014  -1.709
  100    H    GLY   9           H        GLY   9   3.104  -6.426  -1.795
  101   1HA   GLY   9          1HA       GLY   9   3.473  -8.431  -2.840
  102   2HA   GLY   9          2HA       GLY   9   1.883  -8.344  -3.589
  103    QA   GLY   9           QA       GLY   9   2.678  -8.388  -3.214
  104    H    LEU  10           H        LEU  10   3.388  -5.435  -4.341
  105    HA   LEU  10           HA       LEU  10   3.864  -6.475  -7.108
  106   1HB   LEU  10          1HB       LEU  10   3.295  -3.671  -6.156
  107   2HB   LEU  10          2HB       LEU  10   3.369  -4.222  -7.823
  108    HG   LEU  10           HG       LEU  10   1.397  -5.855  -6.479
  109   1HD1  LEU  10          3HD1      LEU  10   1.377  -4.031  -4.801
  110   2HD1  LEU  10          1HD1      LEU  10   0.968  -2.862  -6.071
  111   3HD1  LEU  10          2HD1      LEU  10  -0.160  -4.179  -5.661
  112   1HD2  LEU  10          1HD2      LEU  10   1.134  -3.637  -8.539
  113   2HD2  LEU  10          2HD2      LEU  10   1.348  -5.367  -8.850
  114   3HD2  LEU  10          3HD2      LEU  10  -0.144  -4.788  -8.095
  115    QB   LEU  10           QB       LEU  10   3.332  -3.947  -6.989
  116    QD1  LEU  10           QD1      LEU  10   0.728  -3.691  -5.511
  117    QD2  LEU  10           QD2      LEU  10   0.779  -4.597  -8.495
  118    QQD  LEU  10           QQD      LEU  10   0.754  -4.144  -7.003
  119    H    ALA  11           H        ALA  11   5.469  -5.041  -8.393
  120    HA   ALA  11           HA       ALA  11   7.363  -3.407  -6.915
  121   1HB   ALA  11          1HB       ALA  11   8.469  -5.623  -6.838
  122   2HB   ALA  11          2HB       ALA  11   8.364  -5.699  -8.626
  123   3HB   ALA  11          3HB       ALA  11   9.334  -4.433  -7.824
  124    QB   ALA  11           QB       ALA  11   8.722  -5.252  -7.763
  125    H    ARG  12           H        ARG  12   8.253  -1.890  -8.386
  126    HA   ARG  12           HA       ARG  12   8.140  -0.502 -10.289
  127   1HB   ARG  12          1HB       ARG  12   9.843  -1.357 -11.733
  128   2HB   ARG  12          2HB       ARG  12  10.237  -1.764 -10.072
  129   1HG   ARG  12          1HG       ARG  12   8.702  -3.952 -11.214
  130   2HG   ARG  12          2HG       ARG  12   9.916  -3.491 -12.374
  131   1HD   ARG  12          1HD       ARG  12  10.764  -3.861  -9.500
  132   2HD   ARG  12          2HD       ARG  12  10.258  -5.289 -10.385
  133    HE   ARG  12           HE       ARG  12  12.734  -3.865 -10.685
  134   1HH1  ARG  12          2HH2      ARG  12  10.427  -5.815 -12.606
  135   2HH1  ARG  12          1HH2      ARG  12  11.586  -6.293 -13.772
  136   1HH2  ARG  12          2HH1      ARG  12  14.188  -4.294 -12.337
  137   2HH2  ARG  12          1HH1      ARG  12  13.685  -5.118 -13.788
  138    QB   ARG  12           QB       ARG  12  10.040  -1.561 -10.903
  139    QG   ARG  12           QG       ARG  12   9.309  -3.721 -11.794
  140    QD   ARG  12           QD       ARG  12  10.511  -4.575  -9.942
  141    QH1  ARG  12           QH2      ARG  12  11.007  -6.054 -13.189
  142    QH2  ARG  12           QH1      ARG  12  13.937  -4.706 -13.062
  143    H    GLY  13           H        GLY  13   5.670  -1.216 -10.349
  144   1HA   GLY  13          1HA       GLY  13   4.749  -1.266 -13.087
  145   2HA   GLY  13          2HA       GLY  13   4.796  -2.909 -12.424
  146    QA   GLY  13           QA       GLY  13   4.772  -2.088 -12.756
  147    H    ALA  14           H        ALA  14   4.256  -1.865  -9.690
  148    HA   ALA  14           HA       ALA  14   1.481  -1.573  -9.382
  149   1HB   ALA  14          3HB       ALA  14   3.850  -0.459  -7.869
  150   2HB   ALA  14          1HB       ALA  14   2.183  -0.362  -7.264
  151   3HB   ALA  14          2HB       ALA  14   2.953  -1.936  -7.502
  152    QB   ALA  14           QB       ALA  14   2.995  -0.919  -7.545
  153    H    SER  15           H        SER  15   0.430  -0.335 -10.678
  154    HA   SER  15           HA       SER  15   0.899   2.535 -10.996
  155   1HB   SER  15          1HB       SER  15   0.042   2.043 -13.388
  156   2HB   SER  15          2HB       SER  15   1.726   1.658 -13.028
  157    HG   SER  15           HG       SER  15   1.234  -0.441 -12.839
  158    QB   SER  15           QB       SER  15   0.884   1.850 -13.208
  159    H    ASP  16           H        ASP  16  -1.219   3.590 -11.363
  160    HA   ASP  16           HA       ASP  16  -2.584   3.163  -9.160
  161   1HB   ASP  16          1HB       ASP  16  -2.671   5.077 -11.008
  162   2HB   ASP  16          2HB       ASP  16  -4.256   4.360 -11.330
  163    QB   ASP  16           QB       ASP  16  -3.464   4.718 -11.169
  164    H    GLU  17           H        GLU  17  -3.671   1.599 -12.171
  165    HA   GLU  17           HA       GLU  17  -6.202   0.709 -11.000
  166   1HB   GLU  17          1HB       GLU  17  -5.899   1.085 -13.446
  167   2HB   GLU  17          2HB       GLU  17  -4.743  -0.257 -13.490
  168   1HG   GLU  17          1HG       GLU  17  -6.582  -1.771 -12.584
  169   2HG   GLU  17          2HG       GLU  17  -7.681  -0.388 -12.666
  170    QB   GLU  17           QB       GLU  17  -5.321   0.414 -13.468
  171    QG   GLU  17           QG       GLU  17  -7.131  -1.079 -12.625
  172    H    GLU  18           H        GLU  18  -2.894  -0.604 -11.207
  173    HA   GLU  18           HA       GLU  18  -3.727  -3.338 -10.619
  174   1HB   GLU  18          1HB       GLU  18  -1.442  -2.014 -11.799
  175   2HB   GLU  18          2HB       GLU  18  -0.879  -2.724 -10.299
  176   1HG   GLU  18          1HG       GLU  18  -2.145  -4.111 -12.669
  177   2HG   GLU  18          2HG       GLU  18  -0.512  -4.314 -12.052
  178    QB   GLU  18           QB       GLU  18  -1.161  -2.369 -11.049
  179    QG   GLU  18           QG       GLU  18  -1.328  -4.213 -12.361
  180    H    ILE  19           H        ILE  19  -2.315  -0.469  -9.210
  181    HA   ILE  19           HA       ILE  19  -1.773  -1.331  -6.614
  182    HB   ILE  19           HB       ILE  19  -2.289   1.291  -7.962
  183   1HG1  ILE  19          1HG1      ILE  19  -0.057   0.221  -6.176
  184   2HG1  ILE  19          2HG1      ILE  19  -0.100   0.063  -7.933
  185   1HG2  ILE  19          3HG2      ILE  19  -2.296   0.946  -4.952
  186   2HG2  ILE  19          1HG2      ILE  19  -1.972   2.498  -5.767
  187   3HG2  ILE  19          2HG2      ILE  19  -3.522   1.727  -5.971
  188   1HD1  ILE  19          1HD1      ILE  19  -0.053   2.539  -8.159
  189   2HD1  ILE  19          2HD1      ILE  19   0.082   2.678  -6.392
  190   3HD1  ILE  19          3HD1      ILE  19   1.365   1.890  -7.305
  191    QG1  ILE  19           QG1      ILE  19  -0.078   0.142  -7.055
  192    QG2  ILE  19           QG2      ILE  19  -2.596   1.723  -5.563
  193    QD1  ILE  19           QD1      ILE  19   0.465   2.369  -7.285
  194    H    LYS  20           H        LYS  20  -4.757   0.391  -7.809
  195    HA   LYS  20           HA       LYS  20  -6.196  -0.081  -5.445
  196   1HB   LYS  20          1HB       LYS  20  -6.732   1.573  -7.218
  197   2HB   LYS  20          2HB       LYS  20  -7.341   0.254  -8.227
  198   1HG   LYS  20          1HG       LYS  20  -9.032  -0.254  -6.375
  199   2HG   LYS  20          2HG       LYS  20  -8.383   1.137  -5.487
  200   1HD   LYS  20          1HD       LYS  20 -10.372   1.877  -6.622
  201   2HD   LYS  20          2HD       LYS  20  -8.980   2.599  -7.439
  202   1HE   LYS  20          1HE       LYS  20  -9.264   0.212  -8.827
  203   2HE   LYS  20          2HE       LYS  20 -10.933   0.523  -8.378
  204   1HZ   LYS  20          3HZ       LYS  20 -10.690   2.717  -9.422
  205   2HZ   LYS  20          1HZ       LYS  20  -9.130   2.342  -9.845
  206   3HZ   LYS  20          2HZ       LYS  20 -10.381   1.490 -10.495
  207    QB   LYS  20           QB       LYS  20  -7.036   0.913  -7.723
  208    QG   LYS  20           QG       LYS  20  -8.707   0.441  -5.931
  209    QD   LYS  20           QD       LYS  20  -9.676   2.238  -7.031
  210    QE   LYS  20           QE       LYS  20 -10.098   0.368  -8.602
  211    QZ   LYS  20           QZ       LYS  20 -10.067   2.183  -9.920
  212    H    ARG  21           H        ARG  21  -6.041  -2.107  -8.405
  213    HA   ARG  21           HA       ARG  21  -8.033  -3.991  -7.730
  214   1HB   ARG  21          1HB       ARG  21  -6.719  -3.838  -9.894
  215   2HB   ARG  21          2HB       ARG  21  -5.357  -4.594  -9.098
  216   1HG   ARG  21          1HG       ARG  21  -6.827  -6.567  -8.549
  217   2HG   ARG  21          2HG       ARG  21  -8.139  -5.810  -9.455
  218   1HD   ARG  21          1HD       ARG  21  -5.443  -6.590 -10.659
  219   2HD   ARG  21          2HD       ARG  21  -6.856  -7.630 -10.644
  220    HE   ARG  21           HE       ARG  21  -7.898  -6.441 -12.261
  221   1HH1  ARG  21          2HH2      ARG  21  -4.713  -4.991 -11.617
  222   2HH1  ARG  21          1HH2      ARG  21  -4.840  -3.827 -12.887
  223   1HH2  ARG  21          2HH1      ARG  21  -7.940  -5.001 -14.101
  224   2HH2  ARG  21          1HH1      ARG  21  -6.694  -3.833 -14.309
  225    QB   ARG  21           QB       ARG  21  -6.038  -4.216  -9.496
  226    QG   ARG  21           QG       ARG  21  -7.483  -6.189  -9.002
  227    QD   ARG  21           QD       ARG  21  -6.149  -7.110 -10.652
  228    QH1  ARG  21           QH2      ARG  21  -4.776  -4.409 -12.252
  229    QH2  ARG  21           QH1      ARG  21  -7.317  -4.417 -14.205
  230    H    ALA  22           H        ALA  22  -4.551  -4.071  -7.051
  231    HA   ALA  22           HA       ALA  22  -4.591  -6.318  -5.322
  232   1HB   ALA  22          1HB       ALA  22  -2.546  -5.357  -6.368
  233   2HB   ALA  22          2HB       ALA  22  -2.649  -3.969  -5.276
  234   3HB   ALA  22          3HB       ALA  22  -2.360  -5.595  -4.622
  235    QB   ALA  22           QB       ALA  22  -2.519  -4.973  -5.422
  236    H    TYR  23           H        TYR  23  -5.034  -2.748  -4.423
  237    HA   TYR  23           HA       TYR  23  -4.739  -3.120  -1.685
  238   1HB   TYR  23          1HB       TYR  23  -4.414  -0.990  -2.205
  239   2HB   TYR  23          2HB       TYR  23  -5.222  -1.095  -3.723
  240    HD1  TYR  23          1HD       TYR  23  -7.914  -1.106  -3.621
  241    HD2  TYR  23          2HD       TYR  23  -5.118   0.883  -0.992
  242    HE1  TYR  23          1HE       TYR  23  -9.589   0.577  -3.175
  243    HE2  TYR  23          2HE       TYR  23  -6.809   2.634  -0.587
  244    HH   TYR  23           HH       TYR  23  -8.893   3.570  -1.647
  245    QB   TYR  23           QB       TYR  23  -4.818  -1.042  -2.964
  246    QG   TYR  23           QD       TYR  23  -6.516  -0.112  -2.306
  247    QZ   TYR  23           QE       TYR  23  -8.199   1.605  -1.881
  248    QR   TYR  23           QR       TYR  23  -7.358   0.747  -2.094
  249    H    ARG  24           H        ARG  24  -7.715  -3.023  -3.704
  250    HA   ARG  24           HA       ARG  24  -9.341  -3.555  -1.357
  251   1HB   ARG  24          1HB       ARG  24 -11.196  -3.439  -2.790
  252   2HB   ARG  24          2HB       ARG  24 -10.099  -2.170  -3.269
  253   1HG   ARG  24          1HG       ARG  24  -9.853  -2.971  -5.372
  254   2HG   ARG  24          2HG       ARG  24  -9.581  -4.626  -4.837
  255   1HD   ARG  24          1HD       ARG  24 -12.261  -3.248  -5.159
  256   2HD   ARG  24          2HD       ARG  24 -11.568  -4.501  -6.208
  257    HE   ARG  24           HE       ARG  24 -11.582  -5.608  -3.670
  258   1HH1  ARG  24          2HH2      ARG  24 -14.097  -4.268  -5.800
  259   2HH1  ARG  24          1HH2      ARG  24 -15.395  -5.157  -5.065
  260   1HH2  ARG  24          2HH1      ARG  24 -13.295  -6.691  -2.635
  261   2HH2  ARG  24          1HH1      ARG  24 -14.947  -6.343  -3.044
  262    QB   ARG  24           QB       ARG  24 -10.647  -2.804  -3.030
  263    QG   ARG  24           QG       ARG  24  -9.717  -3.798  -5.104
  264    QD   ARG  24           QD       ARG  24 -11.915  -3.874  -5.683
  265    QH1  ARG  24           QH2      ARG  24 -14.746  -4.713  -5.432
  266    QH2  ARG  24           QH1      ARG  24 -14.121  -6.517  -2.840
  267    H    ARG  25           H        ARG  25  -7.254  -5.572  -2.635
  268    HA   ARG  25           HA       ARG  25  -8.886  -7.988  -2.082
  269   1HB   ARG  25          1HB       ARG  25  -7.707  -7.280  -4.516
  270   2HB   ARG  25          2HB       ARG  25  -6.468  -8.284  -3.798
  271   1HG   ARG  25          1HG       ARG  25  -7.886  -9.523  -5.241
  272   2HG   ARG  25          2HG       ARG  25  -8.150 -10.126  -3.606
  273   1HD   ARG  25          1HD       ARG  25 -10.333  -9.101  -3.514
  274   2HD   ARG  25          2HD       ARG  25  -9.942  -7.989  -4.831
  275    HE   ARG  25           HE       ARG  25 -10.542  -9.509  -6.379
  276   1HH1  ARG  25          2HH2      ARG  25 -10.258 -11.281  -3.299
  277   2HH1  ARG  25          1HH2      ARG  25 -10.654 -12.817  -4.023
  278   1HH2  ARG  25          2HH1      ARG  25 -11.099 -11.515  -7.268
  279   2HH2  ARG  25          1HH1      ARG  25 -11.369 -12.905  -6.263
  280    QB   ARG  25           QB       ARG  25  -7.087  -7.782  -4.157
  281    QG   ARG  25           QG       ARG  25  -8.018  -9.824  -4.424
  282    QD   ARG  25           QD       ARG  25 -10.138  -8.545  -4.173
  283    QH1  ARG  25           QH2      ARG  25 -10.456 -12.049  -3.661
  284    QH2  ARG  25           QH1      ARG  25 -11.234 -12.210  -6.765
  285    H    GLN  26           H        GLN  26  -6.161  -6.026  -1.136
  286    HA   GLN  26           HA       GLN  26  -5.148  -8.242   0.528
  287   1HB   GLN  26          1HB       GLN  26  -3.911  -6.129  -1.010
  288   2HB   GLN  26          2HB       GLN  26  -3.520  -5.854   0.624
  289   1HG   GLN  26          1HG       GLN  26  -2.483  -8.021   0.875
  290   2HG   GLN  26          2HG       GLN  26  -3.353  -8.684  -0.507
  291   1HE2  GLN  26          2HE2      GLN  26  -1.126  -6.836  -2.838
  292   2HE2  GLN  26          1HE2      GLN  26  -2.865  -6.818  -2.510
  293    QB   GLN  26           QB       GLN  26  -3.716  -5.991  -0.193
  294    QG   GLN  26           QG       GLN  26  -2.918  -8.353   0.184
  295    QE2  GLN  26           QE2      GLN  26  -1.995  -6.827  -2.674
  296    H    ALA  27           H        ALA  27  -6.432  -4.851   0.800
  297    HA   ALA  27           HA       ALA  27  -6.338  -4.913   3.692
  298   1HB   ALA  27          2HB       ALA  27  -8.006  -3.374   1.691
  299   2HB   ALA  27          3HB       ALA  27  -8.333  -3.294   3.438
  300   3HB   ALA  27          1HB       ALA  27  -6.757  -2.796   2.822
  301    QB   ALA  27           QB       ALA  27  -7.698  -3.155   2.650
  302    H    LEU  28           H        LEU  28  -9.061  -5.551   1.401
  303    HA   LEU  28           HA       LEU  28 -10.801  -6.772   3.112
  304   1HB   LEU  28          1HB       LEU  28 -11.016  -6.191   0.604
  305   2HB   LEU  28          2HB       LEU  28 -10.284  -7.754   0.283
  306    HG   LEU  28           HG       LEU  28 -12.249  -8.846   1.465
  307   1HD1  LEU  28          1HD1      LEU  28 -13.365  -6.009   1.490
  308   2HD1  LEU  28          2HD1      LEU  28 -14.272  -7.487   1.874
  309   3HD1  LEU  28          3HD1      LEU  28 -12.960  -6.964   2.925
  310   1HD2  LEU  28          2HD2      LEU  28 -12.178  -8.559  -0.983
  311   2HD2  LEU  28          3HD2      LEU  28 -13.832  -8.420  -0.362
  312   3HD2  LEU  28          1HD2      LEU  28 -12.921  -6.950  -0.801
  313    QB   LEU  28           QB       LEU  28 -10.650  -6.972   0.443
  314    QD1  LEU  28           QD1      LEU  28 -13.532  -6.820   2.096
  315    QD2  LEU  28           QD2      LEU  28 -12.977  -7.976  -0.715
  316    QQD  LEU  28           QQD      LEU  28 -13.255  -7.398   0.690
  317    H    ARG  29           H        ARG  29  -7.694  -8.132   2.378
  318    HA   ARG  29           HA       ARG  29  -8.456 -10.904   2.749
  319   1HB   ARG  29          1HB       ARG  29  -6.480  -9.835   1.405
  320   2HB   ARG  29          2HB       ARG  29  -5.649  -9.789   2.960
  321   1HG   ARG  29          1HG       ARG  29  -5.906 -12.232   3.176
  322   2HG   ARG  29          2HG       ARG  29  -6.859 -12.263   1.681
  323   1HD   ARG  29          1HD       ARG  29  -3.949 -11.364   1.876
  324   2HD   ARG  29          2HD       ARG  29  -4.471 -12.972   1.364
  325    HE   ARG  29           HE       ARG  29  -5.797 -11.038  -0.242
  326   1HH1  ARG  29          2HH2      ARG  29  -2.615 -12.572   0.083
  327   2HH1  ARG  29          1HH2      ARG  29  -2.101 -12.135  -1.516
  328   1HH2  ARG  29          2HH1      ARG  29  -5.101 -10.473  -2.347
  329   2HH2  ARG  29          1HH1      ARG  29  -3.458 -10.722  -2.823
  330    QB   ARG  29           QB       ARG  29  -6.065  -9.812   2.182
  331    QG   ARG  29           QG       ARG  29  -6.382 -12.247   2.428
  332    QD   ARG  29           QD       ARG  29  -4.210 -12.168   1.620
  333    QH1  ARG  29           QH2      ARG  29  -2.358 -12.353  -0.717
  334    QH2  ARG  29           QH1      ARG  29  -4.279 -10.598  -2.585
  335    H    TYR  30           H        TYR  30  -7.456  -8.181   4.823
  336    HA   TYR  30           HA       TYR  30  -7.456 -10.002   7.182
  337   1HB   TYR  30          1HB       TYR  30  -5.394  -7.854   6.644
  338   2HB   TYR  30          2HB       TYR  30  -5.425  -8.982   7.989
  339    HD1  TYR  30          2HD       TYR  30  -5.499 -11.609   7.220
  340    HD2  TYR  30          1HD       TYR  30  -3.975  -8.338   4.862
  341    HE1  TYR  30          2HE       TYR  30  -4.157 -13.190   5.888
  342    HE2  TYR  30          1HE       TYR  30  -2.587  -9.911   3.552
  343    HH   TYR  30           HH       TYR  30  -1.818 -12.175   3.403
  344    QB   TYR  30           QB       TYR  30  -5.409  -8.418   7.317
  345    QG   TYR  30           QD       TYR  30  -4.737  -9.974   6.041
  346    QZ   TYR  30           QE       TYR  30  -3.372 -11.551   4.720
  347    QR   TYR  30           QR       TYR  30  -4.055 -10.762   5.381
  348    H    HIS  31           H        HIS  31  -8.724  -7.150   5.881
  349    HA   HIS  31           HA       HIS  31  -8.645  -5.225   7.775
  350   1HB   HIS  31          1HB       HIS  31 -10.038  -5.671   5.408
  351   2HB   HIS  31          2HB       HIS  31 -11.337  -5.730   6.536
  352    HD1  HIS  31          1HD       HIS  31  -8.723  -3.013   7.349
  353    HD2  HIS  31          2HD       HIS  31 -12.167  -3.601   4.991
  354    HE1  HIS  31          1HE       HIS  31  -9.621  -0.724   6.799
  355    QB   HIS  31           QB       HIS  31 -10.687  -5.701   5.972
  356    HA   PRO  32           HA       PRO  32 -11.242  -6.760  11.174
  357   1HB   PRO  32          1HB       PRO  32 -11.692  -4.456  12.566
  358   2HB   PRO  32          2HB       PRO  32 -10.112  -5.298  12.551
  359   1HG   PRO  32          1HG       PRO  32 -10.980  -2.949  10.840
  360   2HG   PRO  32          2HG       PRO  32  -9.468  -3.150  11.788
  361   1HD   PRO  32          1HD       PRO  32  -9.624  -3.649   9.132
  362   2HD   PRO  32          2HD       PRO  32  -8.549  -4.595  10.183
  363    QB   PRO  32           QB       PRO  32 -10.902  -4.877  12.559
  364    QG   PRO  32           QG       PRO  32 -10.224  -3.049  11.314
  365    QD   PRO  32           QD       PRO  32  -9.086  -4.122   9.658
  366    H    ASP  33           H        ASP  33 -12.203  -5.170   8.466
  367    HA   ASP  33           HA       ASP  33 -15.047  -4.903   9.170
  368   1HB   ASP  33          1HB       ASP  33 -15.093  -3.493   7.488
  369   2HB   ASP  33          2HB       ASP  33 -13.390  -3.712   7.231
  370    QB   ASP  33           QB       ASP  33 -14.241  -3.602   7.360
  371    H    LYS  34           H        LYS  34 -13.393  -6.746   6.594
  372    HA   LYS  34           HA       LYS  34 -15.410  -8.740   6.656
  373   1HB   LYS  34          1HB       LYS  34 -14.388  -8.127   4.608
  374   2HB   LYS  34          2HB       LYS  34 -12.767  -8.417   5.200
  375   1HG   LYS  34          1HG       LYS  34 -14.745 -10.675   4.734
  376   2HG   LYS  34          2HG       LYS  34 -13.689 -10.027   3.486
  377   1HD   LYS  34          1HD       LYS  34 -11.686 -10.670   4.852
  378   2HD   LYS  34          2HD       LYS  34 -12.768 -11.476   5.989
  379   1HE   LYS  34          1HE       LYS  34 -13.647 -12.926   4.248
  380   2HE   LYS  34          2HE       LYS  34 -12.578 -12.170   3.049
  381   1HZ   LYS  34          2HZ       LYS  34 -11.552 -13.524   5.483
  382   2HZ   LYS  34          3HZ       LYS  34 -11.687 -14.268   4.004
  383   3HZ   LYS  34          1HZ       LYS  34 -10.692 -13.019   4.195
  384    QB   LYS  34           QB       LYS  34 -13.577  -8.272   4.904
  385    QG   LYS  34           QG       LYS  34 -14.217 -10.351   4.110
  386    QD   LYS  34           QD       LYS  34 -12.227 -11.073   5.420
  387    QE   LYS  34           QE       LYS  34 -13.112 -12.548   3.649
  388    QZ   LYS  34           QZ       LYS  34 -11.311 -13.604   4.561
  389    H    ASN  35           H        ASN  35 -12.111  -8.769   8.141
  390    HA   ASN  35           HA       ASN  35 -12.383 -11.737   8.307
  391   1HB   ASN  35          1HB       ASN  35 -10.404 -10.286   7.053
  392   2HB   ASN  35          2HB       ASN  35  -9.703 -10.490   8.660
  393   1HD2  ASN  35          2HD2      ASN  35  -8.403 -13.540   7.410
  394   2HD2  ASN  35          1HD2      ASN  35  -8.042 -11.924   7.877
  395    QB   ASN  35           QB       ASN  35 -10.053 -10.388   7.856
  396    QD2  ASN  35           QD2      ASN  35  -8.222 -12.732   7.643
  397    H    LYS  36           H        LYS  36 -11.255  -8.894  10.149
  398    HA   LYS  36           HA       LYS  36 -10.795  -8.558  12.309
  399   1HB   LYS  36          1HB       LYS  36 -13.010 -10.537  12.532
  400   2HB   LYS  36          2HB       LYS  36 -12.410  -9.647  13.941
  401   1HG   LYS  36          1HG       LYS  36 -13.112  -7.541  12.979
  402   2HG   LYS  36          2HG       LYS  36 -13.557  -8.332  11.450
  403   1HD   LYS  36          1HD       LYS  36 -15.305  -9.631  12.568
  404   2HD   LYS  36          2HD       LYS  36 -14.824  -8.980  14.140
  405   1HE   LYS  36          1HE       LYS  36 -16.879  -7.916  13.249
  406   2HE   LYS  36          2HE       LYS  36 -15.571  -6.767  13.564
  407   1HZ   LYS  36          3HZ       LYS  36 -16.102  -7.810  10.833
  408   2HZ   LYS  36          1HZ       LYS  36 -16.719  -6.397  11.420
  409   3HZ   LYS  36          2HZ       LYS  36 -15.118  -6.604  11.270
  410    QB   LYS  36           QB       LYS  36 -12.710 -10.092  13.236
  411    QG   LYS  36           QG       LYS  36 -13.334  -7.937  12.215
  412    QD   LYS  36           QD       LYS  36 -15.065  -9.305  13.354
  413    QE   LYS  36           QE       LYS  36 -16.225  -7.341  13.406
  414    QZ   LYS  36           QZ       LYS  36 -15.980  -6.937  11.174
  415    H    GLU  37           H        GLU  37  -9.172 -10.710  10.940
  416    HA   GLU  37           HA       GLU  37  -9.285 -13.003  12.472
  417   1HB   GLU  37          1HB       GLU  37  -8.732 -13.043  10.178
  418   2HB   GLU  37          2HB       GLU  37  -7.299 -12.043  10.400
  419   1HG   GLU  37          1HG       GLU  37  -6.443 -13.944  11.947
  420   2HG   GLU  37          2HG       GLU  37  -7.836 -14.858  11.372
  421    QB   GLU  37           QB       GLU  37  -8.016 -12.543  10.289
  422    QG   GLU  37           QG       GLU  37  -7.140 -14.401  11.659
  423    HA   PRO  38           HA       PRO  38  -6.461 -11.707  15.760
  424   1HB   PRO  38          1HB       PRO  38  -5.996 -14.091  17.018
  425   2HB   PRO  38          2HB       PRO  38  -7.531 -13.187  17.151
  426   1HG   PRO  38          1HG       PRO  38  -6.903 -15.502  15.296
  427   2HG   PRO  38          2HG       PRO  38  -8.334 -15.288  16.355
  428   1HD   PRO  38          1HD       PRO  38  -8.393 -14.649  13.710
  429   2HD   PRO  38          2HD       PRO  38  -9.267 -13.656  14.916
  430    QB   PRO  38           QB       PRO  38  -6.764 -13.639  17.084
  431    QG   PRO  38           QG       PRO  38  -7.618 -15.395  15.825
  432    QD   PRO  38           QD       PRO  38  -8.830 -14.152  14.313
  433    H    GLY  39           H        GLY  39  -4.278 -11.435  15.834
  434   1HA   GLY  39          1HA       GLY  39  -2.043 -11.725  15.436
  435   2HA   GLY  39          2HA       GLY  39  -2.350 -13.314  14.722
  436    QA   GLY  39           QA       GLY  39  -2.197 -12.520  15.079
  437    H    ALA  40           H        ALA  40  -4.424 -10.891  13.347
  438    HA   ALA  40           HA       ALA  40  -2.522 -10.496  11.112
  439   1HB   ALA  40          3HB       ALA  40  -4.120 -12.337  10.563
  440   2HB   ALA  40          1HB       ALA  40  -5.436 -11.154  10.779
  441   3HB   ALA  40          2HB       ALA  40  -4.250 -10.928   9.486
  442    QB   ALA  40           QB       ALA  40  -4.602 -11.473  10.276
  443    H    GLU  41           H        GLU  41  -4.419  -8.883  13.424
  444    HA   GLU  41           HA       GLU  41  -5.274  -6.710  11.701
  445   1HB   GLU  41          1HB       GLU  41  -6.304  -7.185  13.913
  446   2HB   GLU  41          2HB       GLU  41  -4.783  -6.771  14.701
  447   1HG   GLU  41          1HG       GLU  41  -6.345  -4.918  14.854
  448   2HG   GLU  41          2HG       GLU  41  -4.945  -4.459  13.908
  449    QB   GLU  41           QB       GLU  41  -5.544  -6.978  14.307
  450    QG   GLU  41           QG       GLU  41  -5.645  -4.689  14.381
  451    H    GLU  42           H        GLU  42  -2.308  -7.538  13.486
  452    HA   GLU  42           HA       GLU  42  -0.956  -5.037  12.939
  453   1HB   GLU  42          1HB       GLU  42  -0.447  -6.902  14.705
  454   2HB   GLU  42          2HB       GLU  42   0.421  -7.673  13.391
  455   1HG   GLU  42          1HG       GLU  42   2.003  -6.410  14.692
  456   2HG   GLU  42          2HG       GLU  42   1.794  -5.536  13.173
  457    QB   GLU  42           QB       GLU  42  -0.013  -7.288  14.048
  458    QG   GLU  42           QG       GLU  42   1.899  -5.973  13.932
  459    H    LYS  43           H        LYS  43  -1.425  -8.048  11.163
  460    HA   LYS  43           HA       LYS  43   0.425  -7.611   9.118
  461   1HB   LYS  43          1HB       LYS  43  -1.065  -9.694   9.769
  462   2HB   LYS  43          2HB       LYS  43  -2.222  -8.993   8.639
  463   1HG   LYS  43          1HG       LYS  43  -0.310  -8.946   6.932
  464   2HG   LYS  43          2HG       LYS  43   0.576  -9.977   8.068
  465   1HD   LYS  43          1HD       LYS  43  -2.149 -10.551   6.869
  466   2HD   LYS  43          2HD       LYS  43  -0.654 -11.274   6.285
  467   1HE   LYS  43          1HE       LYS  43  -1.692 -11.641   9.128
  468   2HE   LYS  43          2HE       LYS  43  -2.144 -12.714   7.799
  469   1HZ   LYS  43          2HZ       LYS  43   0.691 -12.246   8.408
  470   2HZ   LYS  43          3HZ       LYS  43  -0.214 -13.384   9.221
  471   3HZ   LYS  43          1HZ       LYS  43   0.007 -13.471   7.586
  472    QB   LYS  43           QB       LYS  43  -1.643  -9.344   9.204
  473    QG   LYS  43           QG       LYS  43   0.133  -9.462   7.500
  474    QD   LYS  43           QD       LYS  43  -1.401 -10.913   6.577
  475    QE   LYS  43           QE       LYS  43  -1.918 -12.177   8.463
  476    QZ   LYS  43           QZ       LYS  43   0.161 -13.034   8.405
  477    H    PHE  44           H        PHE  44  -3.043  -6.974   9.475
  478    HA   PHE  44           HA       PHE  44  -3.499  -5.528   7.105
  479   1HB   PHE  44          1HB       PHE  44  -5.347  -6.276   8.523
  480   2HB   PHE  44          2HB       PHE  44  -4.856  -5.212   9.816
  481    HD1  PHE  44          1HD       PHE  44  -5.570  -4.938   6.114
  482    HD2  PHE  44          2HD       PHE  44  -5.943  -3.149  10.028
  483    HE1  PHE  44          1HE       PHE  44  -6.452  -2.855   5.095
  484    HE2  PHE  44          2HE       PHE  44  -6.851  -1.081   8.981
  485   1HZ   PHE  44           HZ       PHE  44  -7.045  -0.928   6.507
  486    QB   PHE  44           QB       PHE  44  -5.101  -5.744   9.169
  487    QG   PHE  44           QD       PHE  44  -5.756  -4.044   8.071
  488    QZ   PHE  44           QE       PHE  44  -6.652  -1.968   7.038
  489    QZ   PHE  44           QR       PHE  44  -6.372  -2.590   7.345
  490    H    LYS  45           H        LYS  45  -2.550  -4.258  10.299
  491    HA   LYS  45           HA       LYS  45  -2.350  -1.507   9.662
  492   1HB   LYS  45          1HB       LYS  45  -0.667  -3.237  11.489
  493   2HB   LYS  45          2HB       LYS  45  -0.438  -1.498  11.402
  494   1HG   LYS  45          1HG       LYS  45  -2.409  -0.975  12.454
  495   2HG   LYS  45          2HG       LYS  45  -3.232  -2.454  11.939
  496   1HD   LYS  45          1HD       LYS  45  -2.552  -3.643  13.741
  497   2HD   LYS  45          2HD       LYS  45  -0.907  -3.001  13.651
  498   1HE   LYS  45          1HE       LYS  45  -1.566  -0.984  14.795
  499   2HE   LYS  45          2HE       LYS  45  -3.229  -1.588  14.975
  500   1HZ   LYS  45          1HZ       LYS  45  -0.912  -3.160  15.893
  501   2HZ   LYS  45          2HZ       LYS  45  -1.552  -2.005  16.860
  502   3HZ   LYS  45          3HZ       LYS  45  -2.470  -3.303  16.358
  503    QB   LYS  45           QB       LYS  45  -0.553  -2.368  11.445
  504    QG   LYS  45           QG       LYS  45  -2.821  -1.715  12.197
  505    QD   LYS  45           QD       LYS  45  -1.729  -3.322  13.696
  506    QE   LYS  45           QE       LYS  45  -2.398  -1.286  14.885
  507    QZ   LYS  45           QZ       LYS  45  -1.644  -2.823  16.370
  508    H    GLU  46           H        GLU  46  -0.043  -4.110   8.919
  509    HA   GLU  46           HA       GLU  46   2.076  -2.381   8.096
  510   1HB   GLU  46          1HB       GLU  46   1.656  -5.087   8.584
  511   2HB   GLU  46          2HB       GLU  46   2.083  -5.072   6.883
  512   1HG   GLU  46          1HG       GLU  46   3.748  -3.544   8.930
  513   2HG   GLU  46          2HG       GLU  46   3.841  -5.292   8.851
  514    QB   GLU  46           QB       GLU  46   1.869  -5.080   7.734
  515    QG   GLU  46           QG       GLU  46   3.795  -4.418   8.891
  516    H    ILE  47           H        ILE  47  -0.508  -4.188   6.366
  517    HA   ILE  47           HA       ILE  47   0.031  -3.170   3.741
  518    HB   ILE  47           HB       ILE  47  -2.633  -3.993   4.965
  519   1HG1  ILE  47          1HG1      ILE  47  -0.548  -5.510   3.336
  520   2HG1  ILE  47          2HG1      ILE  47  -1.017  -5.824   5.009
  521   1HG2  ILE  47          3HG2      ILE  47  -2.905  -2.556   2.914
  522   2HG2  ILE  47          1HG2      ILE  47  -1.873  -3.698   2.030
  523   3HG2  ILE  47          2HG2      ILE  47  -3.467  -4.188   2.657
  524   1HD1  ILE  47          2HD1      ILE  47  -3.381  -6.273   4.136
  525   2HD1  ILE  47          3HD1      ILE  47  -2.656  -6.282   2.519
  526   3HD1  ILE  47          1HD1      ILE  47  -2.117  -7.467   3.702
  527    QG1  ILE  47           QG1      ILE  47  -0.782  -5.667   4.172
  528    QG2  ILE  47           QG2      ILE  47  -2.748  -3.481   2.534
  529    QD1  ILE  47           QD1      ILE  47  -2.718  -6.674   3.452
  530    H    ALA  48           H        ALA  48  -1.863  -1.863   6.504
  531    HA   ALA  48           HA       ALA  48  -3.262   0.083   5.076
  532   1HB   ALA  48          2HB       ALA  48  -3.829  -0.817   7.327
  533   2HB   ALA  48          3HB       ALA  48  -2.513   0.165   8.017
  534   3HB   ALA  48          1HB       ALA  48  -3.896   0.941   7.229
  535    QB   ALA  48           QB       ALA  48  -3.413   0.097   7.525
  536    H    GLU  49           H        GLU  49  -0.021   0.211   6.506
  537    HA   GLU  49           HA       GLU  49   0.343   3.084   6.225
  538   1HB   GLU  49          1HB       GLU  49   1.781   1.551   7.666
  539   2HB   GLU  49          2HB       GLU  49   2.531   0.968   6.172
  540   1HG   GLU  49          1HG       GLU  49   3.104   3.402   5.625
  541   2HG   GLU  49          2HG       GLU  49   2.527   3.841   7.231
  542    QB   GLU  49           QB       GLU  49   2.156   1.260   6.919
  543    QG   GLU  49           QG       GLU  49   2.815   3.621   6.428
  544    H    ALA  50           H        ALA  50   0.908   0.255   4.134
  545    HA   ALA  50           HA       ALA  50   2.085   1.797   1.953
  546   1HB   ALA  50          2HB       ALA  50   2.509  -0.687   2.354
  547   2HB   ALA  50          3HB       ALA  50   0.824  -1.002   1.931
  548   3HB   ALA  50          1HB       ALA  50   1.904  -0.323   0.722
  549    QB   ALA  50           QB       ALA  50   1.746  -0.671   1.669
  550    H    TYR  51           H        TYR  51  -1.078   0.779   2.949
  551    HA   TYR  51           HA       TYR  51  -2.569   1.147   0.578
  552   1HB   TYR  51          1HB       TYR  51  -3.017   0.021   2.922
  553   2HB   TYR  51          2HB       TYR  51  -3.610   1.598   3.399
  554    HD1  TYR  51          1HD       TYR  51  -4.019  -1.309   1.161
  555    HD2  TYR  51          2HD       TYR  51  -5.809   2.293   2.740
  556    HE1  TYR  51          1HE       TYR  51  -6.262  -2.117   0.491
  557    HE2  TYR  51          2HE       TYR  51  -8.014   1.511   2.042
  558    HH   TYR  51           HH       TYR  51  -9.215  -0.250   1.302
  559    QB   TYR  51           QB       TYR  51  -3.313   0.809   3.160
  560    QG   TYR  51           QD       TYR  51  -4.914   0.492   1.950
  561    QZ   TYR  51           QE       TYR  51  -7.138  -0.303   1.266
  562    QR   TYR  51           QR       TYR  51  -6.026   0.095   1.608
  563    H    ASP  52           H        ASP  52  -1.983   3.268   3.389
  564    HA   ASP  52           HA       ASP  52  -3.273   5.649   2.630
  565   1HB   ASP  52          1HB       ASP  52  -2.293   5.284   4.817
  566   2HB   ASP  52          2HB       ASP  52  -0.696   5.082   4.139
  567    QB   ASP  52           QB       ASP  52  -1.494   5.183   4.478
  568    H    VAL  53           H        VAL  53   0.009   4.519   1.920
  569    HA   VAL  53           HA       VAL  53   0.734   6.751   0.277
  570    HB   VAL  53           HB       VAL  53   1.883   3.933   0.186
  571   1HG1  VAL  53          3HG1      VAL  53   2.970   6.634  -0.705
  572   2HG1  VAL  53          1HG1      VAL  53   3.905   5.122  -0.667
  573   3HG1  VAL  53          2HG1      VAL  53   2.508   5.283  -1.759
  574   1HG2  VAL  53          1HG2      VAL  53   1.988   5.300   2.458
  575   2HG2  VAL  53          2HG2      VAL  53   3.414   4.476   1.831
  576   3HG2  VAL  53          3HG2      VAL  53   3.244   6.214   1.615
  577    QG1  VAL  53           QG1      VAL  53   3.128   5.680  -1.044
  578    QG2  VAL  53           QG2      VAL  53   2.882   5.330   1.968
  579    QQG  VAL  53           QQG      VAL  53   3.005   5.505   0.462
  580    H    LEU  54           H        LEU  54  -0.293   3.437  -0.698
  581    HA   LEU  54           HA       LEU  54  -0.394   4.179  -3.514
  582   1HB   LEU  54          1HB       LEU  54  -0.656   1.568  -1.962
  583   2HB   LEU  54          2HB       LEU  54  -0.607   1.714  -3.703
  584    HG   LEU  54           HG       LEU  54   1.680   2.776  -2.011
  585   1HD1  LEU  54          1HD1      LEU  54   1.422   0.008  -3.234
  586   2HD1  LEU  54          2HD1      LEU  54   2.882   0.743  -2.531
  587   3HD1  LEU  54          3HD1      LEU  54   1.482   0.409  -1.502
  588   1HD2  LEU  54          3HD2      LEU  54   1.517   3.543  -4.404
  589   2HD2  LEU  54          1HD2      LEU  54   2.951   2.556  -4.061
  590   3HD2  LEU  54          2HD2      LEU  54   1.573   1.837  -4.893
  591    QB   LEU  54           QB       LEU  54  -0.631   1.641  -2.833
  592    QD1  LEU  54           QD1      LEU  54   1.929   0.387  -2.422
  593    QD2  LEU  54           QD2      LEU  54   2.014   2.645  -4.452
  594    QQD  LEU  54           QQD      LEU  54   1.971   1.516  -3.437
  595    H    SER  55           H        SER  55  -2.207   5.570  -2.255
  596    HA   SER  55           HA       SER  55  -4.466   4.811  -3.874
  597   1HB   SER  55          1HB       SER  55  -6.203   5.046  -2.145
  598   2HB   SER  55          2HB       SER  55  -5.161   3.646  -1.866
  599    HG   SER  55           HG       SER  55  -4.171   4.657  -0.215
  600    QB   SER  55           QB       SER  55  -5.682   4.346  -2.006
  601    H    ASP  56           H        ASP  56  -2.475   7.161  -2.249
  602    HA   ASP  56           HA       ASP  56  -4.143   9.330  -3.351
  603   1HB   ASP  56          1HB       ASP  56  -4.260   9.426  -0.951
  604   2HB   ASP  56          2HB       ASP  56  -2.514   9.243  -0.800
  605    QB   ASP  56           QB       ASP  56  -3.387   9.335  -0.875
  606    HA   PRO  57           HA       PRO  57  -0.261   9.348  -5.714
  607   1HB   PRO  57          1HB       PRO  57  -0.729  11.800  -7.058
  608   2HB   PRO  57          2HB       PRO  57  -1.231  10.197  -7.629
  609   1HG   PRO  57          1HG       PRO  57  -2.854  12.257  -6.164
  610   2HG   PRO  57          2HG       PRO  57  -3.363  11.181  -7.500
  611   1HD   PRO  57          1HD       PRO  57  -4.014  10.686  -4.919
  612   2HD   PRO  57          2HD       PRO  57  -3.617   9.339  -6.029
  613    QB   PRO  57           QB       PRO  57  -0.980  10.998  -7.344
  614    QG   PRO  57           QG       PRO  57  -3.109  11.719  -6.832
  615    QD   PRO  57           QD       PRO  57  -3.816  10.012  -5.474
  616    H    ARG  58           H        ARG  58  -1.574  12.116  -3.861
  617    HA   ARG  58           HA       ARG  58   0.835  13.682  -3.867
  618   1HB   ARG  58          1HB       ARG  58  -1.645  13.622  -2.115
  619   2HB   ARG  58          2HB       ARG  58  -0.282  14.647  -1.724
  620   1HG   ARG  58          1HG       ARG  58  -1.960  15.901  -2.910
  621   2HG   ARG  58          2HG       ARG  58  -0.457  15.855  -3.814
  622   1HD   ARG  58          1HD       ARG  58  -1.378  14.423  -5.494
  623   2HD   ARG  58          2HD       ARG  58  -2.684  13.892  -4.434
  624    HE   ARG  58           HE       ARG  58  -3.973  15.613  -5.110
  625   1HH1  ARG  58          2HH2      ARG  58  -0.656  16.513  -6.014
  626   2HH1  ARG  58          1HH2      ARG  58  -1.048  18.180  -6.309
  627   1HH2  ARG  58          2HH1      ARG  58  -4.555  17.573  -5.843
  628   2HH2  ARG  58          1HH1      ARG  58  -3.440  18.793  -6.365
  629    QB   ARG  58           QB       ARG  58  -0.964  14.135  -1.919
  630    QG   ARG  58           QG       ARG  58  -1.209  15.878  -3.362
  631    QD   ARG  58           QD       ARG  58  -2.031  14.157  -4.964
  632    QH1  ARG  58           QH2      ARG  58  -0.852  17.346  -6.161
  633    QH2  ARG  58           QH1      ARG  58  -3.997  18.183  -6.104
  634    H    LYS  59           H        LYS  59  -0.153  10.858  -1.903
  635    HA   LYS  59           HA       LYS  59   1.765  11.391   0.167
  636   1HB   LYS  59          1HB       LYS  59  -0.526  10.011   0.100
  637   2HB   LYS  59          2HB       LYS  59   0.462   8.681  -0.404
  638   1HG   LYS  59          1HG       LYS  59   0.880  10.400   2.061
  639   2HG   LYS  59          2HG       LYS  59  -0.129   8.961   2.088
  640   1HD   LYS  59          1HD       LYS  59   1.616   7.577   2.229
  641   2HD   LYS  59          2HD       LYS  59   2.604   8.474   1.055
  642   1HE   LYS  59          1HE       LYS  59   3.813   8.859   2.969
  643   2HE   LYS  59          2HE       LYS  59   2.747  10.270   2.932
  644   1HZ   LYS  59          2HZ       LYS  59   1.231   8.823   4.394
  645   2HZ   LYS  59          3HZ       LYS  59   2.539   7.886   4.672
  646   3HZ   LYS  59          1HZ       LYS  59   2.587   9.482   5.077
  647    QB   LYS  59           QB       LYS  59  -0.032   9.346  -0.152
  648    QG   LYS  59           QG       LYS  59   0.375   9.681   2.074
  649    QD   LYS  59           QD       LYS  59   2.110   8.025   1.642
  650    QE   LYS  59           QE       LYS  59   3.280   9.564   2.950
  651    QZ   LYS  59           QZ       LYS  59   2.119   8.730   4.714
  652    H    ARG  60           H        ARG  60   1.630   8.674  -2.376
  653    HA   ARG  60           HA       ARG  60   4.307   8.189  -2.051
  654   1HB   ARG  60          1HB       ARG  60   2.335   6.972  -3.436
  655   2HB   ARG  60          2HB       ARG  60   3.068   7.872  -4.790
  656   1HG   ARG  60          1HG       ARG  60   5.284   6.965  -4.208
  657   2HG   ARG  60          2HG       ARG  60   4.577   6.301  -2.714
  658   1HD   ARG  60          1HD       ARG  60   3.638   4.513  -3.749
  659   2HD   ARG  60          2HD       ARG  60   3.475   5.345  -5.303
  660    HE   ARG  60           HE       ARG  60   5.697   5.064  -5.804
  661   1HH1  ARG  60          2HH2      ARG  60   5.230   3.272  -2.743
  662   2HH1  ARG  60          1HH2      ARG  60   6.648   2.276  -2.996
  663   1HH2  ARG  60          2HH1      ARG  60   7.425   3.639  -6.153
  664   2HH2  ARG  60          1HH1      ARG  60   7.796   2.391  -5.031
  665    QB   ARG  60           QB       ARG  60   2.702   7.422  -4.113
  666    QG   ARG  60           QG       ARG  60   4.931   6.633  -3.461
  667    QD   ARG  60           QD       ARG  60   3.557   4.929  -4.526
  668    QH1  ARG  60           QH2      ARG  60   5.939   2.774  -2.869
  669    QH2  ARG  60           QH1      ARG  60   7.611   3.015  -5.592
  670    H    GLU  61           H        GLU  61   2.926  11.042  -3.627
  671    HA   GLU  61           HA       GLU  61   4.497  11.343  -5.699
  672   1HB   GLU  61          1HB       GLU  61   2.682  12.944  -4.690
  673   2HB   GLU  61          2HB       GLU  61   3.995  13.692  -3.821
  674   1HG   GLU  61          1HG       GLU  61   3.660  14.977  -5.760
  675   2HG   GLU  61          2HG       GLU  61   5.101  14.031  -6.130
  676    QB   GLU  61           QB       GLU  61   3.338  13.318  -4.256
  677    QG   GLU  61           QG       GLU  61   4.381  14.504  -5.945
  678    H    ILE  62           H        ILE  62   5.465  12.264  -2.405
  679    HA   ILE  62           HA       ILE  62   8.013  13.338  -3.389
  680    HB   ILE  62           HB       ILE  62   7.332  12.660  -0.501
  681   1HG1  ILE  62          1HG1      ILE  62   6.825  15.205  -2.122
  682   2HG1  ILE  62          2HG1      ILE  62   5.611  14.172  -1.358
  683   1HG2  ILE  62          3HG2      ILE  62   9.759  13.051  -1.047
  684   2HG2  ILE  62          1HG2      ILE  62   9.332  14.648  -1.692
  685   3HG2  ILE  62          2HG2      ILE  62   9.115  14.268   0.028
  686   1HD1  ILE  62          2HD1      ILE  62   6.597  14.753   0.882
  687   2HD1  ILE  62          3HD1      ILE  62   7.629  15.945   0.056
  688   3HD1  ILE  62          1HD1      ILE  62   5.878  16.122  -0.008
  689    QG1  ILE  62           QG1      ILE  62   6.218  14.688  -1.740
  690    QG2  ILE  62           QG2      ILE  62   9.402  13.989  -0.904
  691    QD1  ILE  62           QD1      ILE  62   6.701  15.607   0.310
  692    H    PHE  63           H        PHE  63   6.974  10.254  -1.967
  693    HA   PHE  63           HA       PHE  63   9.558   9.027  -1.680
  694   1HB   PHE  63          1HB       PHE  63   7.498   8.164  -0.611
  695   2HB   PHE  63          2HB       PHE  63   6.796   7.834  -2.177
  696    HD1  PHE  63          2HD       PHE  63   8.149   6.160  -3.769
  697    HD2  PHE  63          1HD       PHE  63   8.569   6.376   0.536
  698    HE1  PHE  63          2HE       PHE  63   9.082   3.882  -3.725
  699    HE2  PHE  63          1HE       PHE  63   9.337   4.019   0.549
  700   1HZ   PHE  63           HZ       PHE  63   9.529   2.753  -1.613
  701    QB   PHE  63           QB       PHE  63   7.147   7.999  -1.394
  702    QG   PHE  63           QD       PHE  63   8.359   6.268  -1.616
  703    QZ   PHE  63           QE       PHE  63   9.210   3.950  -1.588
  704    QZ   PHE  63           QR       PHE  63   8.933   4.638  -1.604
  705    H    ASP  64           H        ASP  64   7.215   9.285  -4.371
  706    HA   ASP  64           HA       ASP  64   8.523   7.369  -6.032
  707   1HB   ASP  64          1HB       ASP  64   6.004   8.422  -5.958
  708   2HB   ASP  64          2HB       ASP  64   6.671   9.373  -7.275
  709    QB   ASP  64           QB       ASP  64   6.338   8.898  -6.617
  710    H    ARG  65           H        ARG  65   8.498  11.013  -5.960
  711    HA   ARG  65           HA       ARG  65  10.012  11.289  -8.296
  712   1HB   ARG  65          1HB       ARG  65  10.024  13.470  -7.904
  713   2HB   ARG  65          2HB       ARG  65   8.553  13.002  -7.098
  714   1HG   ARG  65          1HG       ARG  65   9.608  13.334  -4.925
  715   2HG   ARG  65          2HG       ARG  65  11.165  13.658  -5.697
  716   1HD   ARG  65          1HD       ARG  65  10.284  15.755  -5.099
  717   2HD   ARG  65          2HD       ARG  65  10.231  15.629  -6.847
  718    HE   ARG  65           HE       ARG  65   7.833  15.257  -6.762
  719   1HH1  ARG  65          2HH2      ARG  65   9.328  16.946  -3.995
  720   2HH1  ARG  65          1HH2      ARG  65   7.852  17.410  -3.268
  721   1HH2  ARG  65          2HH1      ARG  65   5.907  16.340  -6.047
  722   2HH2  ARG  65          1HH1      ARG  65   5.939  17.264  -4.583
  723    QB   ARG  65           QB       ARG  65   9.289  13.236  -7.501
  724    QG   ARG  65           QG       ARG  65  10.387  13.496  -5.311
  725    QD   ARG  65           QD       ARG  65  10.257  15.692  -5.973
  726    QH1  ARG  65           QH2      ARG  65   8.590  17.178  -3.631
  727    QH2  ARG  65           QH1      ARG  65   5.923  16.802  -5.315
  728    H    TYR  66           H        TYR  66  11.028  11.226  -4.903
  729    HA   TYR  66           HA       TYR  66  13.848  11.502  -5.660
  730   1HB   TYR  66          1HB       TYR  66  12.425  11.113  -3.007
  731   2HB   TYR  66          2HB       TYR  66  14.172  11.121  -3.163
  732    HD1  TYR  66          1HD       TYR  66  15.285  13.085  -4.414
  733    HD2  TYR  66          2HD       TYR  66  11.325  13.274  -2.714
  734    HE1  TYR  66          1HE       TYR  66  15.442  15.525  -4.361
  735    HE2  TYR  66          2HE       TYR  66  11.494  15.737  -2.590
  736    HH   TYR  66           HH       TYR  66  14.365  17.564  -3.760
  737    QB   TYR  66           QB       TYR  66  13.298  11.117  -3.085
  738    QG   TYR  66           QD       TYR  66  13.305  13.180  -3.564
  739    QZ   TYR  66           QE       TYR  66  13.468  15.631  -3.476
  740    QR   TYR  66           QR       TYR  66  13.386  14.405  -3.520
  741    H    GLY  67           H        GLY  67  11.747   8.808  -4.591
  742   1HA   GLY  67          1HA       GLY  67  12.117   6.536  -4.807
  743   2HA   GLY  67          2HA       GLY  67  13.794   6.824  -5.294
  744    QA   GLY  67           QA       GLY  67  12.956   6.680  -5.051
  745    H    GLU  68           H        GLU  68  11.590   6.723  -2.616
  746    HA   GLU  68           HA       GLU  68  11.748   6.249  -0.413
  747   1HB   GLU  68          1HB       GLU  68  12.888   4.310  -0.757
  748   2HB   GLU  68          2HB       GLU  68  14.369   5.073  -1.312
  749   1HG   GLU  68          1HG       GLU  68  15.098   5.621   0.852
  750   2HG   GLU  68          2HG       GLU  68  13.482   5.477   1.542
  751    QB   GLU  68           QB       GLU  68  13.629   4.692  -1.034
  752    QG   GLU  68           QG       GLU  68  14.290   5.549   1.197
  753    H    GLU  69           H        GLU  69  14.890   7.770  -1.223
  754    HA   GLU  69           HA       GLU  69  15.100   9.124   1.365
  755   1HB   GLU  69          1HB       GLU  69  16.713   8.964  -1.209
  756   2HB   GLU  69          2HB       GLU  69  17.115  10.173   0.014
  757   1HG   GLU  69          1HG       GLU  69  17.071   7.192   0.501
  758   2HG   GLU  69          2HG       GLU  69  18.493   8.157   0.153
  759    QB   GLU  69           QB       GLU  69  16.914   9.568  -0.597
  760    QG   GLU  69           QG       GLU  69  17.782   7.674   0.327
  761    H    GLY  70           H        GLY  70  12.864  10.032   0.844
  762   1HA   GLY  70          1HA       GLY  70  13.053  12.834  -0.066
  763   2HA   GLY  70          2HA       GLY  70  12.016  11.780  -1.027
  764    QA   GLY  70           QA       GLY  70  12.535  12.307  -0.547
  765    H    LEU  71           H        LEU  71  10.888  10.095   0.833
  766    HA   LEU  71           HA       LEU  71   8.770  11.770   1.727
  767   1HB   LEU  71          1HB       LEU  71   8.777   9.273   1.056
  768   2HB   LEU  71          2HB       LEU  71   9.299   8.928   2.687
  769    HG   LEU  71           HG       LEU  71   6.915   8.570   2.327
  770   1HD1  LEU  71          3HD1      LEU  71   7.697   9.302   4.605
  771   2HD1  LEU  71          1HD1      LEU  71   7.125  10.938   4.209
  772   3HD1  LEU  71          2HD1      LEU  71   5.987   9.593   4.258
  773   1HD2  LEU  71          1HD2      LEU  71   6.550  10.311   0.587
  774   2HD2  LEU  71          2HD2      LEU  71   5.323  10.328   1.858
  775   3HD2  LEU  71          3HD2      LEU  71   6.585  11.558   1.856
  776    QB   LEU  71           QB       LEU  71   9.038   9.101   1.871
  777    QD1  LEU  71           QD1      LEU  71   6.936   9.944   4.357
  778    QD2  LEU  71           QD2      LEU  71   6.153  10.732   1.434
  779    QQD  LEU  71           QQD      LEU  71   6.544  10.338   2.896
  780    H    LYS  72           H        LYS  72  11.465  10.234   3.502
  781    HA   LYS  72           HA       LYS  72  10.823  11.378   6.072
  782   1HB   LYS  72          1HB       LYS  72  12.259   9.282   5.447
  783   2HB   LYS  72          2HB       LYS  72  13.528  10.433   5.091
  784   1HG   LYS  72          1HG       LYS  72  12.686  11.173   7.695
  785   2HG   LYS  72          2HG       LYS  72  12.460   9.432   7.671
  786   1HD   LYS  72          1HD       LYS  72  14.671   9.832   8.480
  787   2HD   LYS  72          2HD       LYS  72  14.833   9.189   6.845
  788   1HE   LYS  72          1HE       LYS  72  14.918  11.714   6.115
  789   2HE   LYS  72          2HE       LYS  72  15.186  12.057   7.829
  790   1HZ   LYS  72          3HZ       LYS  72  17.102  10.480   7.636
  791   2HZ   LYS  72          1HZ       LYS  72  16.885  10.471   6.007
  792   3HZ   LYS  72          2HZ       LYS  72  17.263  11.880   6.768
  793    QB   LYS  72           QB       LYS  72  12.893   9.858   5.269
  794    QG   LYS  72           QG       LYS  72  12.573  10.303   7.683
  795    QD   LYS  72           QD       LYS  72  14.752   9.511   7.662
  796    QE   LYS  72           QE       LYS  72  15.052  11.886   6.972
  797    QZ   LYS  72           QZ       LYS  72  17.083  10.944   6.804
  798    H    GLY  73           H        GLY  73  11.469  13.200   3.396
  799   1HA   GLY  73          1HA       GLY  73  12.469  15.249   3.105
  800   2HA   GLY  73          2HA       GLY  73  13.289  15.137   4.685
  801    QA   GLY  73           QA       GLY  73  12.879  15.193   3.895
  802    H    SER  74           H        SER  74  15.467  15.213   3.903
  803    HA   SER  74           HA       SER  74  17.404  14.571   3.063
  804   1HB   SER  74          1HB       SER  74  17.996  12.279   2.686
  805   2HB   SER  74          2HB       SER  74  17.041  12.458   4.160
  806    HG   SER  74           HG       SER  74  15.243  11.982   2.449
  807    QB   SER  74           QB       SER  74  17.519  12.368   3.423
  808    H    GLY  75           H        GLY  75  14.989  15.356   1.234
  809   1HA   GLY  75          1HA       GLY  75  15.720  14.525  -1.423
  810   2HA   GLY  75          2HA       GLY  75  14.692  15.870  -0.937
  811    QA   GLY  75           QA       GLY  75  15.206  15.197  -1.180
  812    H    CYS  76           H        CYS  76  16.105  16.445  -2.967
  813    HA   CYS  76           HA       CYS  76  18.092  18.427  -2.106
  814   1HB   CYS  76          1HB       CYS  76  18.234  16.718  -4.642
  815   2HB   CYS  76          2HB       CYS  76  19.209  18.160  -4.312
  816    HG   CYS  76           HG       CYS  76  20.307  17.303  -2.117
  817    QB   CYS  76           QB       CYS  76  18.722  17.439  -4.477
   
  No H/Q in entry =         817
  Start of MODEL   14
    1    H    MET   0           H        MET   0  17.637  -3.088   5.540
    2    HA   MET   0           HA       MET   0  15.214  -3.571   5.784
    3   1HB   MET   0          1HB       MET   0  14.998  -0.563   5.366
    4   2HB   MET   0          2HB       MET   0  13.676  -1.700   5.140
    5   1HG   MET   0          1HG       MET   0  15.169  -1.210   7.730
    6   2HG   MET   0          2HG       MET   0  13.516  -0.733   7.349
    7   1HE   MET   0          3HE       MET   0  14.527  -2.320   9.940
    8   2HE   MET   0          1HE       MET   0  12.827  -1.850   9.712
    9   3HE   MET   0          2HE       MET   0  13.240  -3.526  10.143
   10    QB   MET   0           QB       MET   0  14.337  -1.131   5.253
   11    QG   MET   0           QG       MET   0  14.343  -0.972   7.539
   12    QE   MET   0           QE       MET   0  13.531  -2.565   9.932
   13    H    GLY   1           H        GLY   1  14.404  -4.474   4.016
   14   1HA   GLY   1          1HA       GLY   1  14.606  -3.049   1.439
   15   2HA   GLY   1          2HA       GLY   1  15.031  -4.763   1.512
   16    QA   GLY   1           QA       GLY   1  14.818  -3.906   1.475
   17    H    LYS   2           H        LYS   2  12.623  -3.923   3.830
   18    HA   LYS   2           HA       LYS   2  10.342  -4.898   2.279
   19   1HB   LYS   2          1HB       LYS   2   9.113  -4.405   4.295
   20   2HB   LYS   2          2HB       LYS   2  10.516  -5.374   4.669
   21   1HG   LYS   2          1HG       LYS   2  10.736  -3.891   6.399
   22   2HG   LYS   2          2HG       LYS   2  11.612  -2.964   5.205
   23   1HD   LYS   2          1HD       LYS   2  10.130  -1.467   6.295
   24   2HD   LYS   2          2HD       LYS   2   9.435  -1.761   4.696
   25   1HE   LYS   2          1HE       LYS   2   7.857  -3.411   5.679
   26   2HE   LYS   2          2HE       LYS   2   8.543  -3.106   7.287
   27   1HZ   LYS   2          3HZ       LYS   2   7.279  -1.033   5.601
   28   2HZ   LYS   2          1HZ       LYS   2   6.509  -1.849   6.817
   29   3HZ   LYS   2          2HZ       LYS   2   7.792  -0.853   7.143
   30    QB   LYS   2           QB       LYS   2   9.814  -4.890   4.482
   31    QG   LYS   2           QG       LYS   2  11.174  -3.427   5.802
   32    QD   LYS   2           QD       LYS   2   9.783  -1.614   5.495
   33    QE   LYS   2           QE       LYS   2   8.200  -3.258   6.483
   34    QZ   LYS   2           QZ       LYS   2   7.193  -1.245   6.520
   35    H    ASP   3           H        ASP   3   8.616  -3.384   1.625
   36    HA   ASP   3           HA       ASP   3   9.172  -0.539   1.731
   37   1HB   ASP   3          1HB       ASP   3  10.569  -1.168  -0.186
   38   2HB   ASP   3          2HB       ASP   3   9.229  -2.092  -0.895
   39    QB   ASP   3           QB       ASP   3   9.899  -1.630  -0.540
   40    H    TYR   4           H        TYR   4   7.309   0.594   0.792
   41    HA   TYR   4           HA       TYR   4   4.901  -0.529   1.877
   42   1HB   TYR   4          1HB       TYR   4   5.549   1.999   0.324
   43   2HB   TYR   4          2HB       TYR   4   3.977   1.650   1.013
   44    HD1  TYR   4          1HD       TYR   4   3.761   1.252   3.534
   45    HD2  TYR   4          2HD       TYR   4   7.402   2.720   1.767
   46    HE1  TYR   4          1HE       TYR   4   4.475   2.123   5.727
   47    HE2  TYR   4          2HE       TYR   4   8.105   3.631   3.942
   48    HH   TYR   4           HH       TYR   4   7.471   3.916   6.325
   49    QB   TYR   4           QB       TYR   4   4.763   1.825   0.668
   50    QG   TYR   4           QD       TYR   4   5.581   1.986   2.651
   51    QZ   TYR   4           QE       TYR   4   6.290   2.877   4.835
   52    QR   TYR   4           QR       TYR   4   5.936   2.432   3.743
   53    H    TYR   5           H        TYR   5   6.227  -0.450  -1.471
   54    HA   TYR   5           HA       TYR   5   3.823  -0.996  -2.884
   55   1HB   TYR   5          1HB       TYR   5   6.733  -1.846  -3.191
   56   2HB   TYR   5          2HB       TYR   5   5.469  -2.375  -4.266
   57    HD1  TYR   5          1HD       TYR   5   4.976   1.119  -3.243
   58    HD2  TYR   5          2HD       TYR   5   7.139  -1.469  -5.929
   59    HE1  TYR   5          1HE       TYR   5   5.335   3.009  -4.778
   60    HE2  TYR   5          2HE       TYR   5   7.431   0.421  -7.517
   61    HH   TYR   5           HH       TYR   5   6.586   3.726  -6.697
   62    QB   TYR   5           QB       TYR   5   6.101  -2.110  -3.729
   63    QG   TYR   5           QD       TYR   5   6.057  -0.175  -4.586
   64    QZ   TYR   5           QE       TYR   5   6.383   1.715  -6.147
   65    QR   TYR   5           QR       TYR   5   6.220   0.770  -5.366
   66    H    GLN   6           H        GLN   6   6.117  -3.098  -1.073
   67    HA   GLN   6           HA       GLN   6   4.516  -5.373  -1.963
   68   1HB   GLN   6          1HB       GLN   6   7.103  -5.051  -2.052
   69   2HB   GLN   6          2HB       GLN   6   7.101  -5.585  -0.378
   70   1HG   GLN   6          1HG       GLN   6   6.516  -7.757  -0.927
   71   2HG   GLN   6          2HG       GLN   6   5.492  -7.281  -2.273
   72   1HE2  GLN   6          2HE2      GLN   6   8.076  -7.284  -4.733
   73   2HE2  GLN   6          1HE2      GLN   6   6.619  -6.402  -4.259
   74    QB   GLN   6           QB       GLN   6   7.102  -5.318  -1.215
   75    QG   GLN   6           QG       GLN   6   6.004  -7.519  -1.600
   76    QE2  GLN   6           QE2      GLN   6   7.347  -6.843  -4.496
   77    H    THR   7           H        THR   7   5.053  -3.616   1.038
   78    HA   THR   7           HA       THR   7   3.712  -5.468   2.750
   79    HB   THR   7           HB       THR   7   3.452  -2.429   2.712
   80    HG1  THR   7          1HG       THR   7   5.183  -2.426   4.045
   81   1HG2  THR   7          3HG2      THR   7   3.122  -4.438   4.998
   82   2HG2  THR   7          1HG2      THR   7   3.105  -2.671   5.170
   83   3HG2  THR   7          2HG2      THR   7   1.828  -3.467   4.264
   84    QG2  THR   7           QG2      THR   7   2.685  -3.525   4.811
   85    H    LEU   8           H        LEU   8   2.539  -3.644   0.031
   86    HA   LEU   8           HA       LEU   8  -0.235  -4.437   0.680
   87   1HB   LEU   8          1HB       LEU   8   0.517  -2.037  -0.044
   88   2HB   LEU   8          2HB       LEU   8   0.499  -2.717  -1.665
   89    HG   LEU   8           HG       LEU   8  -1.925  -3.406  -0.116
   90   1HD1  LEU   8          3HD1      LEU   8  -1.583  -1.289   1.005
   91   2HD1  LEU   8          1HD1      LEU   8  -1.489  -0.452  -0.558
   92   3HD1  LEU   8          2HD1      LEU   8  -2.998  -1.247  -0.067
   93   1HD2  LEU   8          1HD2      LEU   8  -1.672  -3.476  -2.658
   94   2HD2  LEU   8          2HD2      LEU   8  -3.134  -2.712  -2.035
   95   3HD2  LEU   8          3HD2      LEU   8  -1.810  -1.712  -2.645
   96    QB   LEU   8           QB       LEU   8   0.508  -2.377  -0.854
   97    QD1  LEU   8           QD1      LEU   8  -2.023  -0.996   0.126
   98    QD2  LEU   8           QD2      LEU   8  -2.205  -2.633  -2.446
   99    QQD  LEU   8           QQD      LEU   8  -2.114  -1.815  -1.160
  100    H    GLY   9           H        GLY   9   2.249  -6.049  -0.604
  101   1HA   GLY   9          1HA       GLY   9   2.326  -7.989  -1.784
  102   2HA   GLY   9          2HA       GLY   9   0.573  -7.902  -1.984
  103    QA   GLY   9           QA       GLY   9   1.449  -7.946  -1.884
  104    H    LEU  10           H        LEU  10   3.102  -5.579  -3.152
  105    HA   LEU  10           HA       LEU  10   2.526  -6.269  -5.972
  106   1HB   LEU  10          1HB       LEU  10   2.476  -3.485  -4.765
  107   2HB   LEU  10          2HB       LEU  10   2.204  -3.864  -6.450
  108    HG   LEU  10           HG       LEU  10   0.296  -4.849  -4.296
  109   1HD1  LEU  10          1HD1      LEU  10   0.451  -2.209  -5.739
  110   2HD1  LEU  10          2HD1      LEU  10  -0.984  -2.783  -4.852
  111   3HD1  LEU  10          3HD1      LEU  10   0.541  -2.534  -3.997
  112   1HD2  LEU  10          3HD2      LEU  10   0.334  -5.697  -6.805
  113   2HD2  LEU  10          1HD2      LEU  10  -1.187  -5.304  -6.017
  114   3HD2  LEU  10          2HD2      LEU  10  -0.461  -4.149  -7.135
  115    QB   LEU  10           QB       LEU  10   2.340  -3.675  -5.607
  116    QD1  LEU  10           QD1      LEU  10   0.003  -2.509  -4.863
  117    QD2  LEU  10           QD2      LEU  10  -0.438  -5.050  -6.652
  118    QQD  LEU  10           QQD      LEU  10  -0.218  -3.779  -5.757
  119    H    ALA  11           H        ALA  11   4.004  -4.752  -7.334
  120    HA   ALA  11           HA       ALA  11   5.615  -2.844  -6.607
  121   1HB   ALA  11          3HB       ALA  11   7.390  -5.306  -6.428
  122   2HB   ALA  11          1HB       ALA  11   7.945  -3.620  -6.459
  123   3HB   ALA  11          2HB       ALA  11   7.025  -4.161  -5.091
  124    QB   ALA  11           QB       ALA  11   7.453  -4.362  -5.993
  125    H    ARG  12           H        ARG  12   6.787  -1.927  -8.222
  126    HA   ARG  12           HA       ARG  12   7.188  -1.378 -10.384
  127   1HB   ARG  12          1HB       ARG  12   9.190  -2.483 -11.278
  128   2HB   ARG  12          2HB       ARG  12   9.343  -1.891  -9.639
  129   1HG   ARG  12          1HG       ARG  12   8.548  -4.759  -9.812
  130   2HG   ARG  12          2HG       ARG  12  10.113  -4.383 -10.525
  131   1HD   ARG  12          1HD       ARG  12   9.421  -3.307  -7.793
  132   2HD   ARG  12          2HD       ARG  12   9.975  -4.975  -7.964
  133    HE   ARG  12           HE       ARG  12  11.998  -4.087  -9.066
  134   1HH1  ARG  12          2HH2      ARG  12  10.298  -1.865  -6.858
  135   2HH1  ARG  12          1HH2      ARG  12  11.620  -0.800  -6.697
  136   1HH2  ARG  12          2HH1      ARG  12  13.819  -2.939  -8.524
  137   2HH2  ARG  12          1HH1      ARG  12  13.724  -1.470  -7.613
  138    QB   ARG  12           QB       ARG  12   9.267  -2.187 -10.458
  139    QG   ARG  12           QG       ARG  12   9.330  -4.571 -10.168
  140    QD   ARG  12           QD       ARG  12   9.698  -4.141  -7.878
  141    QH1  ARG  12           QH2      ARG  12  10.959  -1.332  -6.778
  142    QH2  ARG  12           QH1      ARG  12  13.772  -2.205  -8.069
  143    H    GLY  13           H        GLY  13   4.922  -2.262 -10.621
  144   1HA   GLY  13          1HA       GLY  13   4.428  -3.106 -13.217
  145   2HA   GLY  13          2HA       GLY  13   4.555  -4.621 -12.309
  146    QA   GLY  13           QA       GLY  13   4.492  -3.864 -12.763
  147    H    ALA  14           H        ALA  14   3.425  -2.415 -10.093
  148    HA   ALA  14           HA       ALA  14   0.569  -2.807 -10.790
  149   1HB   ALA  14          2HB       ALA  14   1.257  -3.646  -8.585
  150   2HB   ALA  14          3HB       ALA  14   1.842  -2.027  -8.133
  151   3HB   ALA  14          1HB       ALA  14   0.119  -2.296  -8.464
  152    QB   ALA  14           QB       ALA  14   1.073  -2.656  -8.394
  153    H    SER  15           H        SER  15   0.281  -1.214 -12.275
  154    HA   SER  15           HA       SER  15   1.055   1.575 -11.932
  155   1HB   SER  15          1HB       SER  15  -0.742   1.895 -13.668
  156   2HB   SER  15          2HB       SER  15   0.517   0.754 -14.161
  157    HG   SER  15           HG       SER  15  -0.840  -0.937 -13.778
  158    QB   SER  15           QB       SER  15  -0.113   1.324 -13.914
  159    H    ASP  16           H        ASP  16  -0.880   3.229 -11.812
  160    HA   ASP  16           HA       ASP  16  -1.752   2.994  -9.181
  161   1HB   ASP  16          1HB       ASP  16  -2.866   5.059  -9.445
  162   2HB   ASP  16          2HB       ASP  16  -1.365   5.125 -10.347
  163    QB   ASP  16           QB       ASP  16  -2.115   5.092  -9.896
  164    H    GLU  17           H        GLU  17  -3.294   1.911 -12.115
  165    HA   GLU  17           HA       GLU  17  -5.956   1.475 -10.920
  166   1HB   GLU  17          1HB       GLU  17  -4.765   1.776 -13.582
  167   2HB   GLU  17          2HB       GLU  17  -5.604   0.253 -13.516
  168   1HG   GLU  17          1HG       GLU  17  -6.855   2.912 -12.680
  169   2HG   GLU  17          2HG       GLU  17  -6.914   2.258 -14.317
  170    QB   GLU  17           QB       GLU  17  -5.184   1.014 -13.549
  171    QG   GLU  17           QG       GLU  17  -6.884   2.585 -13.499
  172    H    GLU  18           H        GLU  18  -2.997  -0.242 -10.949
  173    HA   GLU  18           HA       GLU  18  -4.407  -2.801 -10.432
  174   1HB   GLU  18          1HB       GLU  18  -1.838  -2.062 -11.512
  175   2HB   GLU  18          2HB       GLU  18  -1.552  -2.764  -9.946
  176   1HG   GLU  18          1HG       GLU  18  -3.107  -4.057 -12.214
  177   2HG   GLU  18          2HG       GLU  18  -1.464  -4.453 -11.721
  178    QB   GLU  18           QB       GLU  18  -1.695  -2.413 -10.729
  179    QG   GLU  18           QG       GLU  18  -2.285  -4.255 -11.967
  180    H    ILE  19           H        ILE  19  -2.586  -0.072  -9.029
  181    HA   ILE  19           HA       ILE  19  -2.293  -1.112  -6.393
  182    HB   ILE  19           HB       ILE  19  -2.061   1.567  -7.729
  183   1HG1  ILE  19          1HG1      ILE  19  -0.188  -0.113  -6.006
  184   2HG1  ILE  19          2HG1      ILE  19  -0.317  -0.251  -7.761
  185   1HG2  ILE  19          1HG2      ILE  19  -2.035   1.184  -4.725
  186   2HG2  ILE  19          2HG2      ILE  19  -1.406   2.624  -5.573
  187   3HG2  ILE  19          3HG2      ILE  19  -3.109   2.251  -5.645
  188   1HD1  ILE  19          2HD1      ILE  19   0.372   2.071  -8.018
  189   2HD1  ILE  19          3HD1      ILE  19   0.659   2.192  -6.261
  190   3HD1  ILE  19          1HD1      ILE  19   1.610   1.061  -7.233
  191    QG1  ILE  19           QG1      ILE  19  -0.252  -0.182  -6.883
  192    QG2  ILE  19           QG2      ILE  19  -2.183   2.020  -5.314
  193    QD1  ILE  19           QD1      ILE  19   0.880   1.775  -7.171
  194    H    LYS  20           H        LYS  20  -4.684   1.424  -7.568
  195    HA   LYS  20           HA       LYS  20  -6.251   1.205  -5.266
  196   1HB   LYS  20          1HB       LYS  20  -6.194   3.014  -6.948
  197   2HB   LYS  20          2HB       LYS  20  -7.054   1.986  -8.099
  198   1HG   LYS  20          1HG       LYS  20  -9.047   2.005  -6.724
  199   2HG   LYS  20          2HG       LYS  20  -8.148   2.617  -5.334
  200   1HD   LYS  20          1HD       LYS  20  -9.531   4.358  -6.350
  201   2HD   LYS  20          2HD       LYS  20  -7.821   4.773  -6.323
  202   1HE   LYS  20          1HE       LYS  20  -8.884   5.456  -8.426
  203   2HE   LYS  20          2HE       LYS  20  -7.592   4.281  -8.709
  204   1HZ   LYS  20          3HZ       LYS  20 -10.466   3.595  -8.582
  205   2HZ   LYS  20          1HZ       LYS  20  -9.622   3.822  -9.985
  206   3HZ   LYS  20          2HZ       LYS  20  -9.261   2.576  -8.979
  207    QB   LYS  20           QB       LYS  20  -6.624   2.500  -7.524
  208    QG   LYS  20           QG       LYS  20  -8.598   2.311  -6.029
  209    QD   LYS  20           QD       LYS  20  -8.676   4.565  -6.337
  210    QE   LYS  20           QE       LYS  20  -8.238   4.868  -8.567
  211    QZ   LYS  20           QZ       LYS  20  -9.783   3.331  -9.182
  212    H    ARG  21           H        ARG  21  -6.093  -0.963  -8.012
  213    HA   ARG  21           HA       ARG  21  -8.461  -2.504  -7.443
  214   1HB   ARG  21          1HB       ARG  21  -6.348  -2.524  -9.310
  215   2HB   ARG  21          2HB       ARG  21  -6.081  -3.992  -8.432
  216   1HG   ARG  21          1HG       ARG  21  -7.375  -4.519 -10.292
  217   2HG   ARG  21          2HG       ARG  21  -8.484  -4.646  -8.924
  218   1HD   ARG  21          1HD       ARG  21  -9.675  -2.724  -9.556
  219   2HD   ARG  21          2HD       ARG  21  -8.302  -1.997 -10.391
  220    HE   ARG  21           HE       ARG  21 -10.090  -4.130 -11.407
  221   1HH1  ARG  21          2HH2      ARG  21  -7.208  -2.066 -12.069
  222   2HH1  ARG  21          1HH2      ARG  21  -7.143  -2.594 -13.720
  223   1HH2  ARG  21          2HH1      ARG  21  -9.928  -4.713 -13.609
  224   2HH2  ARG  21          1HH1      ARG  21  -8.627  -4.068 -14.567
  225    QB   ARG  21           QB       ARG  21  -6.214  -3.258  -8.871
  226    QG   ARG  21           QG       ARG  21  -7.929  -4.582  -9.608
  227    QD   ARG  21           QD       ARG  21  -8.988  -2.361  -9.973
  228    QH1  ARG  21           QH2      ARG  21  -7.175  -2.330 -12.895
  229    QH2  ARG  21           QH1      ARG  21  -9.278  -4.391 -14.088
  230    H    ALA  22           H        ALA  22  -5.018  -2.965  -6.576
  231    HA   ALA  22           HA       ALA  22  -5.250  -5.113  -4.817
  232   1HB   ALA  22          1HB       ALA  22  -3.207  -4.347  -5.930
  233   2HB   ALA  22          2HB       ALA  22  -3.178  -2.920  -4.870
  234   3HB   ALA  22          3HB       ALA  22  -3.010  -4.550  -4.180
  235    QB   ALA  22           QB       ALA  22  -3.132  -3.939  -4.993
  236    H    TYR  23           H        TYR  23  -5.182  -1.531  -3.984
  237    HA   TYR  23           HA       TYR  23  -5.323  -1.879  -1.229
  238   1HB   TYR  23          1HB       TYR  23  -4.642   0.155  -1.642
  239   2HB   TYR  23          2HB       TYR  23  -5.190   0.162  -3.277
  240    HD1  TYR  23          1HD       TYR  23  -7.807   0.447  -3.595
  241    HD2  TYR  23          2HD       TYR  23  -5.385   1.985  -0.401
  242    HE1  TYR  23          1HE       TYR  23  -9.376   2.329  -3.366
  243    HE2  TYR  23          2HE       TYR  23  -6.989   3.826  -0.085
  244    HH   TYR  23           HH       TYR  23  -9.199   4.483  -0.605
  245    QB   TYR  23           QB       TYR  23  -4.916   0.158  -2.459
  246    QG   TYR  23           QD       TYR  23  -6.596   1.216  -1.998
  247    QZ   TYR  23           QE       TYR  23  -8.183   3.077  -1.725
  248    QR   TYR  23           QR       TYR  23  -7.389   2.147  -1.862
  249    H    ARG  24           H        ARG  24  -7.947  -1.797  -3.688
  250    HA   ARG  24           HA       ARG  24 -10.030  -1.860  -1.665
  251   1HB   ARG  24          1HB       ARG  24  -9.933  -2.395  -4.658
  252   2HB   ARG  24          2HB       ARG  24 -11.380  -2.761  -3.737
  253   1HG   ARG  24          1HG       ARG  24 -10.082  -0.003  -3.782
  254   2HG   ARG  24          2HG       ARG  24 -11.391  -0.505  -4.845
  255   1HD   ARG  24          1HD       ARG  24 -12.741  -1.078  -2.749
  256   2HD   ARG  24          2HD       ARG  24 -11.474  -0.311  -1.802
  257    HE   ARG  24           HE       ARG  24 -11.989   1.814  -2.723
  258   1HH1  ARG  24          2HH2      ARG  24 -14.349  -0.568  -3.873
  259   2HH1  ARG  24          1HH2      ARG  24 -15.726   0.436  -3.585
  260   1HH2  ARG  24          2HH1      ARG  24 -13.603   3.237  -2.788
  261   2HH2  ARG  24          1HH1      ARG  24 -15.259   2.797  -3.141
  262    QB   ARG  24           QB       ARG  24 -10.656  -2.578  -4.198
  263    QG   ARG  24           QG       ARG  24 -10.737  -0.254  -4.313
  264    QD   ARG  24           QD       ARG  24 -12.108  -0.694  -2.275
  265    QH1  ARG  24           QH2      ARG  24 -15.038  -0.066  -3.729
  266    QH2  ARG  24           QH1      ARG  24 -14.431   3.017  -2.964
  267    H    ARG  25           H        ARG  25  -8.044  -4.461  -3.077
  268    HA   ARG  25           HA       ARG  25  -9.807  -6.399  -1.668
  269   1HB   ARG  25          1HB       ARG  25  -8.284  -8.154  -2.321
  270   2HB   ARG  25          2HB       ARG  25  -8.949  -7.272  -3.699
  271   1HG   ARG  25          1HG       ARG  25  -6.877  -6.136  -4.070
  272   2HG   ARG  25          2HG       ARG  25  -6.163  -6.775  -2.571
  273   1HD   ARG  25          1HD       ARG  25  -5.254  -7.930  -4.501
  274   2HD   ARG  25          2HD       ARG  25  -6.186  -9.024  -3.473
  275    HE   ARG  25           HE       ARG  25  -7.987  -9.009  -4.974
  276   1HH1  ARG  25          2HH2      ARG  25  -4.954  -7.654  -6.505
  277   2HH1  ARG  25          1HH2      ARG  25  -5.570  -7.868  -8.067
  278   1HH2  ARG  25          2HH1      ARG  25  -8.791  -8.993  -7.070
  279   2HH2  ARG  25          1HH1      ARG  25  -7.744  -8.753  -8.433
  280    QB   ARG  25           QB       ARG  25  -8.616  -7.713  -3.010
  281    QG   ARG  25           QG       ARG  25  -6.520  -6.455  -3.321
  282    QD   ARG  25           QD       ARG  25  -5.720  -8.477  -3.987
  283    QH1  ARG  25           QH2      ARG  25  -5.262  -7.761  -7.286
  284    QH2  ARG  25           QH1      ARG  25  -8.267  -8.873  -7.752
  285    H    GLN  26           H        GLN  26  -6.626  -4.756  -1.144
  286    HA   GLN  26           HA       GLN  26  -5.748  -6.619   0.728
  287   1HB   GLN  26          1HB       GLN  26  -4.969  -3.869  -0.215
  288   2HB   GLN  26          2HB       GLN  26  -4.185  -4.478   1.243
  289   1HG   GLN  26          1HG       GLN  26  -4.365  -6.074  -1.349
  290   2HG   GLN  26          2HG       GLN  26  -3.042  -4.996  -1.016
  291   1HE2  GLN  26          2HE2      GLN  26  -1.536  -7.107   1.526
  292   2HE2  GLN  26          1HE2      GLN  26  -1.775  -5.444   1.126
  293    QB   GLN  26           QB       GLN  26  -4.577  -4.174   0.514
  294    QG   GLN  26           QG       GLN  26  -3.703  -5.535  -1.183
  295    QE2  GLN  26           QE2      GLN  26  -1.655  -6.275   1.326
  296    H    ALA  27           H        ALA  27  -7.567  -3.586   1.252
  297    HA   ALA  27           HA       ALA  27  -7.446  -3.671   4.119
  298   1HB   ALA  27          1HB       ALA  27  -9.549  -2.581   2.194
  299   2HB   ALA  27          2HB       ALA  27  -9.667  -2.439   3.961
  300   3HB   ALA  27          3HB       ALA  27  -8.306  -1.692   3.127
  301    QB   ALA  27           QB       ALA  27  -9.174  -2.238   3.094
  302    H    LEU  28           H        LEU  28  -9.809  -5.085   1.796
  303    HA   LEU  28           HA       LEU  28 -11.467  -6.349   3.706
  304   1HB   LEU  28          1HB       LEU  28 -11.949  -5.849   1.268
  305   2HB   LEU  28          2HB       LEU  28 -10.874  -7.174   0.834
  306    HG   LEU  28           HG       LEU  28 -12.383  -8.759   2.094
  307   1HD1  LEU  28          1HD1      LEU  28 -14.083  -6.230   2.297
  308   2HD1  LEU  28          2HD1      LEU  28 -14.741  -7.862   2.464
  309   3HD1  LEU  28          3HD1      LEU  28 -13.538  -7.272   3.629
  310   1HD2  LEU  28          2HD2      LEU  28 -12.501  -8.445  -0.366
  311   2HD2  LEU  28          3HD2      LEU  28 -14.087  -8.795   0.327
  312   3HD2  LEU  28          1HD2      LEU  28 -13.676  -7.129  -0.141
  313    QB   LEU  28           QB       LEU  28 -11.411  -6.512   1.051
  314    QD1  LEU  28           QD1      LEU  28 -14.121  -7.121   2.797
  315    QD2  LEU  28           QD2      LEU  28 -13.422  -8.123  -0.060
  316    QQD  LEU  28           QQD      LEU  28 -13.771  -7.622   1.368
  317    H    ARG  29           H        ARG  29  -8.659  -7.545   1.904
  318    HA   ARG  29           HA       ARG  29  -8.858 -10.236   2.443
  319   1HB   ARG  29          1HB       ARG  29  -7.524  -9.103   0.669
  320   2HB   ARG  29          2HB       ARG  29  -6.321  -8.626   1.882
  321   1HG   ARG  29          1HG       ARG  29  -5.489 -10.794   2.058
  322   2HG   ARG  29          2HG       ARG  29  -7.068 -11.495   1.769
  323   1HD   ARG  29          1HD       ARG  29  -5.726 -12.090  -0.095
  324   2HD   ARG  29          2HD       ARG  29  -6.916 -10.917  -0.645
  325    HE   ARG  29           HE       ARG  29  -4.560  -9.492   0.057
  326   1HH1  ARG  29          2HH2      ARG  29  -5.546 -11.910  -2.378
  327   2HH1  ARG  29          1HH2      ARG  29  -4.358 -11.397  -3.531
  328   1HH2  ARG  29          2HH1      ARG  29  -3.126  -8.777  -1.469
  329   2HH2  ARG  29          1HH1      ARG  29  -2.949  -9.479  -3.032
  330    QB   ARG  29           QB       ARG  29  -6.922  -8.865   1.276
  331    QG   ARG  29           QG       ARG  29  -6.279 -11.144   1.913
  332    QD   ARG  29           QD       ARG  29  -6.321 -11.504  -0.370
  333    QH1  ARG  29           QH2      ARG  29  -4.952 -11.653  -2.954
  334    QH2  ARG  29           QH1      ARG  29  -3.038  -9.128  -2.250
  335    H    TYR  30           H        TYR  30  -7.342  -7.740   4.454
  336    HA   TYR  30           HA       TYR  30  -6.880  -9.846   6.524
  337   1HB   TYR  30          1HB       TYR  30  -5.093  -7.439   5.943
  338   2HB   TYR  30          2HB       TYR  30  -4.814  -8.690   7.145
  339    HD1  TYR  30          2HD       TYR  30  -4.776 -11.207   6.171
  340    HD2  TYR  30          1HD       TYR  30  -4.013  -7.654   3.847
  341    HE1  TYR  30          2HE       TYR  30  -3.510 -12.547   4.501
  342    HE2  TYR  30          1HE       TYR  30  -2.704  -8.985   2.236
  343    HH   TYR  30           HH       TYR  30  -1.528 -11.158   2.052
  344    QB   TYR  30           QB       TYR  30  -4.953  -8.065   6.544
  345    QG   TYR  30           QD       TYR  30  -4.395  -9.430   5.009
  346    QZ   TYR  30           QE       TYR  30  -3.107 -10.766   3.368
  347    QR   TYR  30           QR       TYR  30  -3.751 -10.098   4.189
  348    H    HIS  31           H        HIS  31  -9.006  -7.571   5.870
  349    HA   HIS  31           HA       HIS  31  -9.183  -5.745   7.968
  350   1HB   HIS  31          1HB       HIS  31 -10.861  -6.716   5.925
  351   2HB   HIS  31          2HB       HIS  31 -11.690  -7.224   7.372
  352    HD1  HIS  31          1HD       HIS  31 -12.590  -5.212   9.060
  353    HD2  HIS  31          2HD       HIS  31 -11.306  -4.298   5.152
  354    HE1  HIS  31          1HE       HIS  31 -13.519  -3.041   8.588
  355    QB   HIS  31           QB       HIS  31 -11.275  -6.970   6.649
  356    HA   PRO  32           HA       PRO  32  -8.708  -8.746  11.153
  357   1HB   PRO  32          1HB       PRO  32  -9.453  -7.333  13.424
  358   2HB   PRO  32          2HB       PRO  32  -7.894  -7.183  12.569
  359   1HG   PRO  32          1HG       PRO  32 -10.335  -5.435  12.307
  360   2HG   PRO  32          2HG       PRO  32  -8.625  -4.918  12.436
  361   1HD   PRO  32          1HD       PRO  32  -9.920  -5.035  10.058
  362   2HD   PRO  32          2HD       PRO  32  -8.187  -5.496  10.197
  363    QB   PRO  32           QB       PRO  32  -8.674  -7.258  12.996
  364    QG   PRO  32           QG       PRO  32  -9.480  -5.176  12.372
  365    QD   PRO  32           QD       PRO  32  -9.053  -5.265  10.127
  366    H    ASP  33           H        ASP  33 -11.788  -7.038  10.880
  367    HA   ASP  33           HA       ASP  33 -13.272  -9.031  12.340
  368   1HB   ASP  33          1HB       ASP  33 -15.259  -7.744  11.653
  369   2HB   ASP  33          2HB       ASP  33 -13.992  -6.685  12.274
  370    QB   ASP  33           QB       ASP  33 -14.625  -7.215  11.963
  371    H    LYS  34           H        LYS  34 -12.063  -9.039   9.081
  372    HA   LYS  34           HA       LYS  34 -14.535 -10.296   8.034
  373   1HB   LYS  34          1HB       LYS  34 -13.545  -8.596   6.612
  374   2HB   LYS  34          2HB       LYS  34 -11.968  -9.339   6.728
  375   1HG   LYS  34          1HG       LYS  34 -12.933  -9.766   4.533
  376   2HG   LYS  34          2HG       LYS  34 -12.612 -11.249   5.406
  377   1HD   LYS  34          1HD       LYS  34 -14.692 -11.658   4.513
  378   2HD   LYS  34          2HD       LYS  34 -15.143 -11.175   6.114
  379   1HE   LYS  34          1HE       LYS  34 -15.154  -9.405   3.631
  380   2HE   LYS  34          2HE       LYS  34 -16.551 -10.229   4.306
  381   1HZ   LYS  34          1HZ       LYS  34 -16.358  -8.852   6.299
  382   2HZ   LYS  34          2HZ       LYS  34 -15.096  -8.033   5.682
  383   3HZ   LYS  34          3HZ       LYS  34 -16.518  -7.927   4.942
  384    QB   LYS  34           QB       LYS  34 -12.757  -8.967   6.670
  385    QG   LYS  34           QG       LYS  34 -12.772 -10.508   4.969
  386    QD   LYS  34           QD       LYS  34 -14.917 -11.416   5.313
  387    QE   LYS  34           QE       LYS  34 -15.852  -9.817   3.968
  388    QZ   LYS  34           QZ       LYS  34 -15.991  -8.270   5.641
  389    H    ASN  35           H        ASN  35 -11.102 -11.010   7.819
  390    HA   ASN  35           HA       ASN  35 -11.440 -13.816   7.026
  391   1HB   ASN  35          1HB       ASN  35  -8.770 -13.605   7.257
  392   2HB   ASN  35          2HB       ASN  35  -9.570 -12.759   5.935
  393   1HD2  ASN  35          2HD2      ASN  35  -9.221  -9.573   7.378
  394   2HD2  ASN  35          1HD2      ASN  35  -9.687 -10.485   5.936
  395    QB   ASN  35           QB       ASN  35  -9.170 -13.182   6.596
  396    QD2  ASN  35           QD2      ASN  35  -9.454 -10.029   6.657
  397    H    LYS  36           H        LYS  36 -10.657 -11.873   9.860
  398    HA   LYS  36           HA       LYS  36 -10.085 -12.222  11.904
  399   1HB   LYS  36          1HB       LYS  36 -11.913 -14.535  11.512
  400   2HB   LYS  36          2HB       LYS  36 -11.229 -14.175  13.107
  401   1HG   LYS  36          1HG       LYS  36 -12.202 -11.869  12.958
  402   2HG   LYS  36          2HG       LYS  36 -12.993 -12.331  11.434
  403   1HD   LYS  36          1HD       LYS  36 -14.203 -14.151  12.656
  404   2HD   LYS  36          2HD       LYS  36 -13.389 -13.674  14.146
  405   1HE   LYS  36          1HE       LYS  36 -15.599 -12.767  14.213
  406   2HE   LYS  36          2HE       LYS  36 -14.470 -11.422  14.020
  407   1HZ   LYS  36          2HZ       LYS  36 -15.895 -12.622  11.706
  408   2HZ   LYS  36          3HZ       LYS  36 -16.469 -11.311  12.564
  409   3HZ   LYS  36          1HZ       LYS  36 -15.086 -11.226  11.754
  410    QB   LYS  36           QB       LYS  36 -11.571 -14.355  12.310
  411    QG   LYS  36           QG       LYS  36 -12.597 -12.100  12.196
  412    QD   LYS  36           QD       LYS  36 -13.796 -13.913  13.401
  413    QE   LYS  36           QE       LYS  36 -15.035 -12.094  14.117
  414    QZ   LYS  36           QZ       LYS  36 -15.817 -11.720  12.008
  415    H    GLU  37           H        GLU  37  -8.163 -13.237   9.843
  416    HA   GLU  37           HA       GLU  37  -7.038 -15.667  10.810
  417   1HB   GLU  37          1HB       GLU  37  -7.008 -14.938   8.515
  418   2HB   GLU  37          2HB       GLU  37  -6.133 -13.472   8.904
  419   1HG   GLU  37          1HG       GLU  37  -4.966 -16.180   9.618
  420   2HG   GLU  37          2HG       GLU  37  -4.995 -15.617   7.967
  421    QB   GLU  37           QB       GLU  37  -6.570 -14.205   8.710
  422    QG   GLU  37           QG       GLU  37  -4.981 -15.898   8.793
  423    HA   PRO  38           HA       PRO  38  -5.340 -13.640  14.275
  424   1HB   PRO  38          1HB       PRO  38  -3.450 -15.439  15.197
  425   2HB   PRO  38          2HB       PRO  38  -5.219 -15.516  15.404
  426   1HG   PRO  38          1HG       PRO  38  -3.514 -16.904  13.306
  427   2HG   PRO  38          2HG       PRO  38  -4.838 -17.598  14.290
  428   1HD   PRO  38          1HD       PRO  38  -5.229 -16.764  11.741
  429   2HD   PRO  38          2HD       PRO  38  -6.481 -16.508  12.993
  430    QB   PRO  38           QB       PRO  38  -4.334 -15.478  15.300
  431    QG   PRO  38           QG       PRO  38  -4.176 -17.251  13.798
  432    QD   PRO  38           QD       PRO  38  -5.855 -16.636  12.367
  433    H    GLY  39           H        GLY  39  -4.419 -11.856  13.787
  434   1HA   GLY  39          1HA       GLY  39  -2.387 -10.532  14.113
  435   2HA   GLY  39          2HA       GLY  39  -1.490 -11.703  13.144
  436    QA   GLY  39           QA       GLY  39  -1.939 -11.118  13.629
  437    H    ALA  40           H        ALA  40  -4.475 -11.411  11.657
  438    HA   ALA  40           HA       ALA  40  -3.611  -9.896   9.431
  439   1HB   ALA  40          2HB       ALA  40  -5.462 -11.481   9.377
  440   2HB   ALA  40          3HB       ALA  40  -6.422 -10.444  10.460
  441   3HB   ALA  40          1HB       ALA  40  -5.987  -9.892   8.833
  442    QB   ALA  40           QB       ALA  40  -5.957 -10.605   9.556
  443    H    GLU  41           H        GLU  41  -5.112  -8.924  12.514
  444    HA   GLU  41           HA       GLU  41  -5.880  -6.304  11.868
  445   1HB   GLU  41          1HB       GLU  41  -6.243  -7.556  14.073
  446   2HB   GLU  41          2HB       GLU  41  -4.571  -7.167  14.487
  447   1HG   GLU  41          1HG       GLU  41  -5.219  -4.693  14.060
  448   2HG   GLU  41          2HG       GLU  41  -6.892  -5.245  14.021
  449    QB   GLU  41           QB       GLU  41  -5.407  -7.362  14.280
  450    QG   GLU  41           QG       GLU  41  -6.055  -4.969  14.041
  451    H    GLU  42           H        GLU  42  -2.660  -7.492  12.838
  452    HA   GLU  42           HA       GLU  42  -1.542  -4.807  12.833
  453   1HB   GLU  42          1HB       GLU  42  -0.793  -6.902  14.208
  454   2HB   GLU  42          2HB       GLU  42   0.067  -7.381  12.750
  455   1HG   GLU  42          1HG       GLU  42   1.583  -6.153  14.203
  456   2HG   GLU  42          2HG       GLU  42   1.269  -5.177  12.779
  457    QB   GLU  42           QB       GLU  42  -0.363  -7.141  13.479
  458    QG   GLU  42           QG       GLU  42   1.426  -5.665  13.491
  459    H    LYS  43           H        LYS  43  -1.864  -7.460  10.521
  460    HA   LYS  43           HA       LYS  43  -0.143  -6.524   8.536
  461   1HB   LYS  43          1HB       LYS  43  -1.819  -8.698   8.922
  462   2HB   LYS  43          2HB       LYS  43  -2.614  -7.867   7.591
  463   1HG   LYS  43          1HG       LYS  43  -0.648  -8.027   6.209
  464   2HG   LYS  43          2HG       LYS  43   0.360  -8.551   7.567
  465   1HD   LYS  43          1HD       LYS  43  -2.015 -10.158   6.551
  466   2HD   LYS  43          2HD       LYS  43  -0.360 -10.389   5.974
  467   1HE   LYS  43          1HE       LYS  43   0.398 -10.892   8.274
  468   2HE   LYS  43          2HE       LYS  43  -1.231 -10.646   8.896
  469   1HZ   LYS  43          1HZ       LYS  43  -0.492 -12.778   6.979
  470   2HZ   LYS  43          2HZ       LYS  43  -0.680 -12.933   8.604
  471   3HZ   LYS  43          3HZ       LYS  43  -1.975 -12.592   7.738
  472    QB   LYS  43           QB       LYS  43  -2.216  -8.283   8.256
  473    QG   LYS  43           QG       LYS  43  -0.144  -8.289   6.888
  474    QD   LYS  43           QD       LYS  43  -1.188 -10.274   6.262
  475    QE   LYS  43           QE       LYS  43  -0.417 -10.769   8.585
  476    QZ   LYS  43           QZ       LYS  43  -1.049 -12.768   7.774
  477    H    PHE  44           H        PHE  44  -3.635  -6.032   9.070
  478    HA   PHE  44           HA       PHE  44  -4.237  -4.184   7.070
  479   1HB   PHE  44          1HB       PHE  44  -5.821  -5.413   8.498
  480   2HB   PHE  44          2HB       PHE  44  -5.367  -4.458   9.882
  481    HD1  PHE  44          1HD       PHE  44  -7.278  -4.481   6.730
  482    HD2  PHE  44          2HD       PHE  44  -6.092  -2.134  10.160
  483    HE1  PHE  44          1HE       PHE  44  -9.074  -2.836   6.245
  484    HE2  PHE  44          2HE       PHE  44  -7.881  -0.494   9.650
  485   1HZ   PHE  44           HZ       PHE  44  -9.362  -0.836   7.695
  486    QB   PHE  44           QB       PHE  44  -5.594  -4.936   9.190
  487    QG   PHE  44           QD       PHE  44  -6.685  -3.308   8.445
  488    QZ   PHE  44           QE       PHE  44  -8.477  -1.665   7.947
  489    QZ   PHE  44           QR       PHE  44  -7.937  -2.156   8.096
  490    H    LYS  45           H        LYS  45  -2.955  -3.590  10.351
  491    HA   LYS  45           HA       LYS  45  -2.974  -0.739  10.286
  492   1HB   LYS  45          1HB       LYS  45  -1.358  -2.827  11.774
  493   2HB   LYS  45          2HB       LYS  45  -0.843  -1.169  11.865
  494   1HG   LYS  45          1HG       LYS  45  -3.654  -2.062  12.500
  495   2HG   LYS  45          2HG       LYS  45  -2.374  -1.998  13.703
  496   1HD   LYS  45          1HD       LYS  45  -3.253   0.462  12.105
  497   2HD   LYS  45          2HD       LYS  45  -3.957  -0.043  13.628
  498   1HE   LYS  45          1HE       LYS  45  -2.441   1.537  14.321
  499   2HE   LYS  45          2HE       LYS  45  -1.605   0.025  14.638
  500   1HZ   LYS  45          2HZ       LYS  45  -1.142   1.753  12.264
  501   2HZ   LYS  45          3HZ       LYS  45  -0.205   1.748  13.613
  502   3HZ   LYS  45          1HZ       LYS  45  -0.245   0.446  12.656
  503    QB   LYS  45           QB       LYS  45  -1.100  -1.998  11.820
  504    QG   LYS  45           QG       LYS  45  -3.014  -2.030  13.101
  505    QD   LYS  45           QD       LYS  45  -3.605   0.209  12.867
  506    QE   LYS  45           QE       LYS  45  -2.023   0.781  14.480
  507    QZ   LYS  45           QZ       LYS  45  -0.531   1.316  12.844
  508    H    GLU  46           H        GLU  46  -0.299  -3.004   9.441
  509    HA   GLU  46           HA       GLU  46   1.426  -0.867   8.730
  510   1HB   GLU  46          1HB       GLU  46   1.551  -3.617   9.131
  511   2HB   GLU  46          2HB       GLU  46   2.098  -3.437   7.470
  512   1HG   GLU  46          1HG       GLU  46   3.164  -1.774   9.799
  513   2HG   GLU  46          2HG       GLU  46   3.754  -3.370   9.432
  514    QB   GLU  46           QB       GLU  46   1.825  -3.527   8.300
  515    QG   GLU  46           QG       GLU  46   3.459  -2.572   9.616
  516    H    ILE  47           H        ILE  47  -0.773  -2.944   6.874
  517    HA   ILE  47           HA       ILE  47  -0.261  -2.033   4.270
  518    HB   ILE  47           HB       ILE  47  -2.705  -3.082   5.701
  519   1HG1  ILE  47          1HG1      ILE  47  -1.108  -4.120   3.319
  520   2HG1  ILE  47          2HG1      ILE  47  -0.741  -4.536   4.983
  521   1HG2  ILE  47          2HG2      ILE  47  -3.662  -1.499   4.067
  522   2HG2  ILE  47          3HG2      ILE  47  -2.710  -2.269   2.773
  523   3HG2  ILE  47          1HG2      ILE  47  -4.001  -3.155   3.620
  524   1HD1  ILE  47          1HD1      ILE  47  -3.073  -5.478   5.219
  525   2HD1  ILE  47          2HD1      ILE  47  -3.280  -5.246   3.468
  526   3HD1  ILE  47          3HD1      ILE  47  -2.018  -6.329   4.070
  527    QG1  ILE  47           QG1      ILE  47  -0.924  -4.328   4.151
  528    QG2  ILE  47           QG2      ILE  47  -3.458  -2.308   3.487
  529    QD1  ILE  47           QD1      ILE  47  -2.790  -5.684   4.252
  530    H    ALA  48           H        ALA  48  -2.185  -0.385   6.902
  531    HA   ALA  48           HA       ALA  48  -3.307   1.624   5.206
  532   1HB   ALA  48          3HB       ALA  48  -4.022   1.106   7.574
  533   2HB   ALA  48          1HB       ALA  48  -2.552   1.931   8.116
  534   3HB   ALA  48          2HB       ALA  48  -3.773   2.834   7.219
  535    QB   ALA  48           QB       ALA  48  -3.449   1.957   7.636
  536    H    GLU  49           H        GLU  49  -0.096   1.407   6.636
  537    HA   GLU  49           HA       GLU  49   0.447   4.225   6.062
  538   1HB   GLU  49          1HB       GLU  49   1.460   2.887   7.941
  539   2HB   GLU  49          2HB       GLU  49   2.454   2.041   6.750
  540   1HG   GLU  49          1HG       GLU  49   3.589   4.109   6.142
  541   2HG   GLU  49          2HG       GLU  49   2.327   5.080   6.869
  542    QB   GLU  49           QB       GLU  49   1.957   2.464   7.345
  543    QG   GLU  49           QG       GLU  49   2.958   4.595   6.506
  544    H    ALA  50           H        ALA  50   0.766   1.150   4.375
  545    HA   ALA  50           HA       ALA  50   2.250   2.288   2.111
  546   1HB   ALA  50          3HB       ALA  50   0.558  -0.252   2.327
  547   2HB   ALA  50          1HB       ALA  50   1.511   0.245   0.934
  548   3HB   ALA  50          2HB       ALA  50   2.321  -0.147   2.466
  549    QB   ALA  50           QB       ALA  50   1.463  -0.051   1.909
  550    H    TYR  51           H        TYR  51  -1.093   1.614   3.015
  551    HA   TYR  51           HA       TYR  51  -2.513   1.860   0.693
  552   1HB   TYR  51          1HB       TYR  51  -3.061   1.281   3.218
  553   2HB   TYR  51          2HB       TYR  51  -3.606   2.935   3.309
  554    HD1  TYR  51          1HD       TYR  51  -3.995  -0.401   1.776
  555    HD2  TYR  51          2HD       TYR  51  -5.870   3.370   2.627
  556    HE1  TYR  51          1HE       TYR  51  -6.178  -1.387   1.214
  557    HE2  TYR  51          2HE       TYR  51  -8.075   2.410   2.044
  558    HH   TYR  51           HH       TYR  51  -8.368  -0.812   0.596
  559    QB   TYR  51           QB       TYR  51  -3.334   2.108   3.263
  560    QG   TYR  51           QD       TYR  51  -4.932   1.485   2.201
  561    QZ   TYR  51           QE       TYR  51  -7.127   0.511   1.629
  562    QR   TYR  51           QR       TYR  51  -6.029   0.998   1.915
  563    H    ASP  52           H        ASP  52  -1.492   4.459   2.885
  564    HA   ASP  52           HA       ASP  52  -2.950   6.596   1.703
  565   1HB   ASP  52          1HB       ASP  52  -1.676   6.847   3.814
  566   2HB   ASP  52          2HB       ASP  52  -0.161   6.720   2.927
  567    QB   ASP  52           QB       ASP  52  -0.918   6.784   3.371
  568    H    VAL  53           H        VAL  53   0.355   5.493   1.015
  569    HA   VAL  53           HA       VAL  53   0.829   7.187  -1.276
  570    HB   VAL  53           HB       VAL  53   2.157   5.070   0.398
  571   1HG1  VAL  53          1HG1      VAL  53   2.679   4.309  -2.018
  572   2HG1  VAL  53          2HG1      VAL  53   3.682   5.780  -2.069
  573   3HG1  VAL  53          3HG1      VAL  53   3.982   4.542  -0.860
  574   1HG2  VAL  53          1HG2      VAL  53   2.335   7.471   0.767
  575   2HG2  VAL  53          2HG2      VAL  53   3.923   6.764   0.322
  576   3HG2  VAL  53          3HG2      VAL  53   2.988   7.691  -0.880
  577    QG1  VAL  53           QG1      VAL  53   3.448   4.877  -1.649
  578    QG2  VAL  53           QG2      VAL  53   3.082   7.309   0.070
  579    QQG  VAL  53           QQG      VAL  53   3.265   6.093  -0.790
  580    H    LEU  54           H        LEU  54  -0.297   3.882  -0.766
  581    HA   LEU  54           HA       LEU  54  -0.507   3.422  -3.673
  582   1HB   LEU  54          1HB       LEU  54  -0.116   1.767  -1.260
  583   2HB   LEU  54          2HB       LEU  54  -1.274   1.114  -2.374
  584    HG   LEU  54           HG       LEU  54   0.284   1.168  -4.211
  585   1HD1  LEU  54          3HD1      LEU  54   1.721   3.087  -3.615
  586   2HD1  LEU  54          1HD1      LEU  54   2.409   2.129  -2.273
  587   3HD1  LEU  54          2HD1      LEU  54   2.655   1.634  -3.965
  588   1HD2  LEU  54          2HD2      LEU  54   0.184  -0.755  -2.677
  589   2HD2  LEU  54          3HD2      LEU  54   1.758  -0.595  -3.460
  590   3HD2  LEU  54          1HD2      LEU  54   1.551  -0.104  -1.759
  591    QB   LEU  54           QB       LEU  54  -0.695   1.441  -1.817
  592    QD1  LEU  54           QD1      LEU  54   2.262   2.283  -3.285
  593    QD2  LEU  54           QD2      LEU  54   1.164  -0.485  -2.632
  594    QQD  LEU  54           QQD      LEU  54   1.713   0.899  -2.958
  595    H    SER  55           H        SER  55  -2.089   5.418  -2.631
  596    HA   SER  55           HA       SER  55  -4.484   4.393  -3.981
  597   1HB   SER  55          1HB       SER  55  -6.061   5.554  -2.479
  598   2HB   SER  55          2HB       SER  55  -5.170   4.216  -1.728
  599    HG   SER  55           HG       SER  55  -3.964   5.527  -0.600
  600    QB   SER  55           QB       SER  55  -5.615   4.885  -2.104
  601    H    ASP  56           H        ASP  56  -2.296   7.098  -3.248
  602    HA   ASP  56           HA       ASP  56  -3.606   8.649  -5.419
  603   1HB   ASP  56          1HB       ASP  56  -3.899   9.819  -3.354
  604   2HB   ASP  56          2HB       ASP  56  -2.218   9.529  -2.874
  605    QB   ASP  56           QB       ASP  56  -3.058   9.674  -3.114
  606    HA   PRO  57           HA       PRO  57   0.408   7.657  -7.197
  607   1HB   PRO  57          1HB       PRO  57   0.270   9.063  -9.543
  608   2HB   PRO  57          2HB       PRO  57  -0.718   7.597  -9.218
  609   1HG   PRO  57          1HG       PRO  57  -1.517  10.493  -9.041
  610   2HG   PRO  57          2HG       PRO  57  -2.428   9.122  -9.738
  611   1HD   PRO  57          1HD       PRO  57  -2.839  10.109  -7.204
  612   2HD   PRO  57          2HD       PRO  57  -3.160   8.410  -7.655
  613    QB   PRO  57           QB       PRO  57  -0.224   8.330  -9.381
  614    QG   PRO  57           QG       PRO  57  -1.972   9.807  -9.390
  615    QD   PRO  57           QD       PRO  57  -2.999   9.260  -7.429
  616    H    ARG  58           H        ARG  58  -0.466  10.848  -6.181
  617    HA   ARG  58           HA       ARG  58   1.845  12.203  -7.353
  618   1HB   ARG  58          1HB       ARG  58  -0.295  13.254  -5.462
  619   2HB   ARG  58          2HB       ARG  58   0.767  14.188  -6.502
  620   1HG   ARG  58          1HG       ARG  58  -0.380  13.500  -8.494
  621   2HG   ARG  58          2HG       ARG  58  -1.264  12.222  -7.661
  622   1HD   ARG  58          1HD       ARG  58  -2.682  14.122  -8.151
  623   2HD   ARG  58          2HD       ARG  58  -2.616  13.682  -6.446
  624    HE   ARG  58           HE       ARG  58  -1.288  16.003  -7.772
  625   1HH1  ARG  58          2HH2      ARG  58  -2.316  14.441  -4.751
  626   2HH1  ARG  58          1HH2      ARG  58  -1.926  15.766  -3.714
  627   1HH2  ARG  58          2HH1      ARG  58  -0.553  17.692  -6.413
  628   2HH2  ARG  58          1HH1      ARG  58  -0.911  17.719  -4.705
  629    QB   ARG  58           QB       ARG  58   0.236  13.721  -5.982
  630    QG   ARG  58           QG       ARG  58  -0.822  12.861  -8.078
  631    QD   ARG  58           QD       ARG  58  -2.649  13.902  -7.299
  632    QH1  ARG  58           QH2      ARG  58  -2.121  15.103  -4.233
  633    QH2  ARG  58           QH1      ARG  58  -0.732  17.706  -5.559
  634    H    LYS  59           H        LYS  59   0.547  11.324  -4.141
  635    HA   LYS  59           HA       LYS  59   2.830  12.260  -2.659
  636   1HB   LYS  59          1HB       LYS  59   0.522  11.622  -1.727
  637   2HB   LYS  59          2HB       LYS  59   0.910   9.941  -2.046
  638   1HG   LYS  59          1HG       LYS  59   1.545   9.996   0.167
  639   2HG   LYS  59          2HG       LYS  59   3.076  10.474  -0.537
  640   1HD   LYS  59          1HD       LYS  59   2.783  12.106   1.085
  641   2HD   LYS  59          2HD       LYS  59   2.139  12.929  -0.337
  642   1HE   LYS  59          1HE       LYS  59  -0.157  11.981   0.349
  643   2HE   LYS  59          2HE       LYS  59   0.602  11.460   1.865
  644   1HZ   LYS  59          1HZ       LYS  59   1.279  13.950   1.964
  645   2HZ   LYS  59          2HZ       LYS  59   0.107  14.163   0.851
  646   3HZ   LYS  59          3HZ       LYS  59  -0.280  13.543   2.331
  647    QB   LYS  59           QB       LYS  59   0.716  10.781  -1.887
  648    QG   LYS  59           QG       LYS  59   2.310  10.235  -0.185
  649    QD   LYS  59           QD       LYS  59   2.461  12.517   0.374
  650    QE   LYS  59           QE       LYS  59   0.222  11.721   1.107
  651    QZ   LYS  59           QZ       LYS  59   0.369  13.885   1.715
  652    H    ARG  60           H        ARG  60   1.908   9.110  -4.089
  653    HA   ARG  60           HA       ARG  60   4.052   7.517  -3.393
  654   1HB   ARG  60          1HB       ARG  60   1.859   7.319  -5.003
  655   2HB   ARG  60          2HB       ARG  60   3.101   7.433  -6.241
  656   1HG   ARG  60          1HG       ARG  60   4.325   5.544  -5.055
  657   2HG   ARG  60          2HG       ARG  60   2.917   5.474  -3.971
  658   1HD   ARG  60          1HD       ARG  60   2.866   5.003  -6.914
  659   2HD   ARG  60          2HD       ARG  60   2.755   3.772  -5.607
  660    HE   ARG  60           HE       ARG  60   0.772   5.297  -4.877
  661   1HH1  ARG  60          2HH2      ARG  60   1.333   4.320  -8.286
  662   2HH1  ARG  60          1HH2      ARG  60  -0.207   4.892  -8.796
  663   1HH2  ARG  60          2HH1      ARG  60  -1.183   5.868  -5.505
  664   2HH2  ARG  60          1HH1      ARG  60  -1.898   5.490  -7.032
  665    QB   ARG  60           QB       ARG  60   2.480   7.376  -5.622
  666    QG   ARG  60           QG       ARG  60   3.621   5.509  -4.513
  667    QD   ARG  60           QD       ARG  60   2.811   4.388  -6.261
  668    QH1  ARG  60           QH2      ARG  60   0.563   4.606  -8.541
  669    QH2  ARG  60           QH1      ARG  60  -1.540   5.679  -6.269
  670    H    GLU  61           H        GLU  61   4.017  10.165  -5.802
  671    HA   GLU  61           HA       GLU  61   6.490   9.378  -7.046
  672   1HB   GLU  61          1HB       GLU  61   4.369  10.983  -7.722
  673   2HB   GLU  61          2HB       GLU  61   5.466  12.213  -7.124
  674   1HG   GLU  61          1HG       GLU  61   5.837  10.233  -9.358
  675   2HG   GLU  61          2HG       GLU  61   5.750  11.992  -9.502
  676    QB   GLU  61           QB       GLU  61   4.917  11.598  -7.423
  677    QG   GLU  61           QG       GLU  61   5.794  11.113  -9.430
  678    H    ILE  62           H        ILE  62   5.511  11.624  -4.486
  679    HA   ILE  62           HA       ILE  62   8.121  12.826  -4.169
  680    HB   ILE  62           HB       ILE  62   5.946  12.660  -2.016
  681   1HG1  ILE  62          1HG1      ILE  62   6.173  14.686  -4.290
  682   2HG1  ILE  62          2HG1      ILE  62   4.885  13.524  -4.043
  683   1HG2  ILE  62          1HG2      ILE  62   8.183  13.477  -1.301
  684   2HG2  ILE  62          2HG2      ILE  62   8.112  14.752  -2.542
  685   3HG2  ILE  62          3HG2      ILE  62   6.972  14.725  -1.174
  686   1HD1  ILE  62          2HD1      ILE  62   4.306  14.659  -1.886
  687   2HD1  ILE  62          3HD1      ILE  62   5.471  15.941  -2.324
  688   3HD1  ILE  62          1HD1      ILE  62   4.069  15.639  -3.350
  689    QG1  ILE  62           QG1      ILE  62   5.529  14.105  -4.167
  690    QG2  ILE  62           QG2      ILE  62   7.755  14.318  -1.673
  691    QD1  ILE  62           QD1      ILE  62   4.615  15.413  -2.520
  692    H    PHE  63           H        PHE  63   6.374  10.135  -2.515
  693    HA   PHE  63           HA       PHE  63   8.499   9.478  -0.708
  694   1HB   PHE  63          1HB       PHE  63   6.409   8.612  -0.119
  695   2HB   PHE  63          2HB       PHE  63   5.916   8.320  -1.772
  696    HD1  PHE  63          1HD       PHE  63   7.998   6.924   0.981
  697    HD2  PHE  63          2HD       PHE  63   6.183   6.235  -2.872
  698    HE1  PHE  63          1HE       PHE  63   8.506   4.526   1.165
  699    HE2  PHE  63          2HE       PHE  63   6.677   3.811  -2.670
  700   1HZ   PHE  63           HZ       PHE  63   7.814   2.949  -0.656
  701    QB   PHE  63           QB       PHE  63   6.162   8.466  -0.946
  702    QG   PHE  63           QD       PHE  63   7.090   6.580  -0.945
  703    QZ   PHE  63           QE       PHE  63   7.592   4.168  -0.752
  704    QZ   PHE  63           QR       PHE  63   7.436   4.889  -0.810
  705    H    ASP  64           H        ASP  64   7.915   8.738  -4.142
  706    HA   ASP  64           HA       ASP  64   9.834   6.620  -4.344
  707   1HB   ASP  64          1HB       ASP  64   8.025   7.475  -6.083
  708   2HB   ASP  64          2HB       ASP  64   9.272   8.578  -6.605
  709    QB   ASP  64           QB       ASP  64   8.649   8.027  -6.344
  710    H    ARG  65           H        ARG  65   9.989  10.127  -5.084
  711    HA   ARG  65           HA       ARG  65  12.650  10.014  -5.912
  712   1HB   ARG  65          1HB       ARG  65  12.463  12.191  -6.386
  713   2HB   ARG  65          2HB       ARG  65  10.801  11.619  -6.538
  714   1HG   ARG  65          1HG       ARG  65  10.358  12.684  -4.282
  715   2HG   ARG  65          2HG       ARG  65  12.015  13.316  -4.344
  716   1HD   ARG  65          1HD       ARG  65  10.644  15.058  -5.140
  717   2HD   ARG  65          2HD       ARG  65  11.457  14.397  -6.540
  718    HE   ARG  65           HE       ARG  65   9.380  13.167  -7.125
  719   1HH1  ARG  65          2HH2      ARG  65   9.100  16.019  -5.039
  720   2HH1  ARG  65          1HH2      ARG  65   7.447  16.327  -5.499
  721   1HH2  ARG  65          2HH1      ARG  65   7.392  13.657  -7.792
  722   2HH2  ARG  65          1HH1      ARG  65   6.393  14.914  -7.065
  723    QB   ARG  65           QB       ARG  65  11.632  11.905  -6.462
  724    QG   ARG  65           QG       ARG  65  11.187  13.000  -4.313
  725    QD   ARG  65           QD       ARG  65  11.050  14.727  -5.840
  726    QH1  ARG  65           QH2      ARG  65   8.274  16.173  -5.269
  727    QH2  ARG  65           QH1      ARG  65   6.892  14.286  -7.429
  728    H    TYR  66           H        TYR  66  11.313  11.066  -2.851
  729    HA   TYR  66           HA       TYR  66  14.018  11.540  -1.692
  730   1HB   TYR  66          1HB       TYR  66  11.227  12.235  -0.745
  731   2HB   TYR  66          2HB       TYR  66  12.709  12.715   0.091
  732    HD1  TYR  66          1HD       TYR  66  14.510  13.662  -2.045
  733    HD2  TYR  66          2HD       TYR  66  10.283  14.274  -1.440
  734    HE1  TYR  66          1HE       TYR  66  14.623  15.721  -3.373
  735    HE2  TYR  66          2HE       TYR  66  10.396  16.366  -2.748
  736    HH   TYR  66           HH       TYR  66  11.723  17.524  -4.334
  737    QB   TYR  66           QB       TYR  66  11.968  12.475  -0.327
  738    QG   TYR  66           QD       TYR  66  12.397  13.968  -1.742
  739    QZ   TYR  66           QE       TYR  66  12.510  16.044  -3.061
  740    QR   TYR  66           QR       TYR  66  12.453  15.006  -2.401
  741    H    GLY  67           H        GLY  67  11.722   8.963  -1.542
  742   1HA   GLY  67          1HA       GLY  67  11.622   7.198  -0.071
  743   2HA   GLY  67          2HA       GLY  67  12.892   7.914   0.924
  744    QA   GLY  67           QA       GLY  67  12.257   7.556   0.426
  745    H    GLU  68           H        GLU  68  11.305   7.149   2.606
  746    HA   GLU  68           HA       GLU  68   8.674   8.264   2.727
  747   1HB   GLU  68          1HB       GLU  68   9.728   6.035   3.635
  748   2HB   GLU  68          2HB       GLU  68  10.065   6.971   5.083
  749   1HG   GLU  68          1HG       GLU  68   7.287   6.804   3.821
  750   2HG   GLU  68          2HG       GLU  68   7.904   5.567   4.901
  751    QB   GLU  68           QB       GLU  68   9.896   6.503   4.359
  752    QG   GLU  68           QG       GLU  68   7.595   6.185   4.361
  753    H    GLU  69           H        GLU  69  11.689   9.626   3.658
  754    HA   GLU  69           HA       GLU  69  10.779  11.380   5.792
  755   1HB   GLU  69          1HB       GLU  69  13.096  11.419   3.798
  756   2HB   GLU  69          2HB       GLU  69  12.760  12.768   4.867
  757   1HG   GLU  69          1HG       GLU  69  14.383  11.483   5.992
  758   2HG   GLU  69          2HG       GLU  69  12.862  11.257   6.859
  759    QB   GLU  69           QB       GLU  69  12.928  12.094   4.333
  760    QG   GLU  69           QG       GLU  69  13.623  11.370   6.425
  761    H    GLY  70           H        GLY  70  11.028  11.585   2.237
  762   1HA   GLY  70          1HA       GLY  70  10.296  14.323   1.884
  763   2HA   GLY  70          2HA       GLY  70  10.221  13.057   0.710
  764    QA   GLY  70           QA       GLY  70  10.258  13.690   1.297
  765    H    LEU  71           H        LEU  71   8.469  11.442   2.570
  766    HA   LEU  71           HA       LEU  71   6.276  11.769   0.889
  767   1HB   LEU  71          1HB       LEU  71   7.024   9.722   2.055
  768   2HB   LEU  71          2HB       LEU  71   6.425  10.333   3.587
  769    HG   LEU  71           HG       LEU  71   4.656   9.808   1.164
  770   1HD1  LEU  71          2HD1      LEU  71   5.309   8.058   3.575
  771   2HD1  LEU  71          3HD1      LEU  71   4.055   7.700   2.393
  772   3HD1  LEU  71          1HD1      LEU  71   5.754   7.718   1.894
  773   1HD2  LEU  71          3HD2      LEU  71   3.580  11.275   2.947
  774   2HD2  LEU  71          1HD2      LEU  71   2.808   9.716   2.739
  775   3HD2  LEU  71          2HD2      LEU  71   3.894   9.991   4.118
  776    QB   LEU  71           QB       LEU  71   6.724  10.028   2.821
  777    QD1  LEU  71           QD1      LEU  71   5.039   7.825   2.621
  778    QD2  LEU  71           QD2      LEU  71   3.427  10.327   3.268
  779    QQD  LEU  71           QQD      LEU  71   4.233   9.076   2.944
  780    H    LYS  72           H        LYS  72   6.289  12.409   4.468
  781    HA   LYS  72           HA       LYS  72   4.111  14.398   3.977
  782   1HB   LYS  72          1HB       LYS  72   3.878  12.068   5.345
  783   2HB   LYS  72          2HB       LYS  72   4.490  13.093   6.634
  784   1HG   LYS  72          1HG       LYS  72   2.558  14.753   5.823
  785   2HG   LYS  72          2HG       LYS  72   1.938  13.322   4.990
  786   1HD   LYS  72          1HD       LYS  72   0.833  13.327   7.103
  787   2HD   LYS  72          2HD       LYS  72   2.123  12.116   7.272
  788   1HE   LYS  72          1HE       LYS  72   3.536  14.230   8.102
  789   2HE   LYS  72          2HE       LYS  72   1.948  14.949   8.359
  790   1HZ   LYS  72          1HZ       LYS  72   1.446  13.009   9.808
  791   2HZ   LYS  72          2HZ       LYS  72   3.001  12.477   9.592
  792   3HZ   LYS  72          3HZ       LYS  72   2.740  13.885  10.339
  793    QB   LYS  72           QB       LYS  72   4.184  12.580   5.989
  794    QG   LYS  72           QG       LYS  72   2.248  14.038   5.407
  795    QD   LYS  72           QD       LYS  72   1.478  12.722   7.187
  796    QE   LYS  72           QE       LYS  72   2.742  14.589   8.230
  797    QZ   LYS  72           QZ       LYS  72   2.395  13.124   9.913
  798    H    GLY  73           H        GLY  73   7.385  14.295   4.860
  799   1HA   GLY  73          1HA       GLY  73   7.326  16.394   6.878
  800   2HA   GLY  73          2HA       GLY  73   8.741  15.801   5.990
  801    QA   GLY  73           QA       GLY  73   8.034  16.097   6.434
  802    H    SER  74           H        SER  74   9.438  16.892   4.171
  803    HA   SER  74           HA       SER  74   8.342  19.509   3.619
  804   1HB   SER  74          1HB       SER  74  10.559  17.839   2.384
  805   2HB   SER  74          2HB       SER  74  10.185  19.506   1.899
  806    HG   SER  74           HG       SER  74  11.001  18.535   4.438
  807    QB   SER  74           QB       SER  74  10.372  18.673   2.141
  808    H    GLY  75           H        GLY  75   7.086  16.590   2.607
  809   1HA   GLY  75          1HA       GLY  75   6.681  17.126  -0.202
  810   2HA   GLY  75          2HA       GLY  75   5.915  15.869   0.781
  811    QA   GLY  75           QA       GLY  75   6.298  16.498   0.289
  812    H    CYS  76           H        CYS  76   4.427  17.038  -1.072
  813    HA   CYS  76           HA       CYS  76   2.256  18.123   0.515
  814   1HB   CYS  76          1HB       CYS  76   3.281  19.452  -2.040
  815   2HB   CYS  76          2HB       CYS  76   1.609  19.565  -1.489
  816    HG   CYS  76           HG       CYS  76   4.349  20.439   0.143
  817    QB   CYS  76           QB       CYS  76   2.445  19.508  -1.764
   
  No H/Q in entry =         817
  Start of MODEL   15
    1    H    MET   0           H        MET   0  12.565  -7.521   5.377
    2    HA   MET   0           HA       MET   0  10.532  -6.062   5.103
    3   1HB   MET   0          1HB       MET   0  11.381  -7.153   7.798
    4   2HB   MET   0          2HB       MET   0   9.841  -6.330   7.604
    5   1HG   MET   0          1HG       MET   0  10.698  -8.704   5.928
    6   2HG   MET   0          2HG       MET   0   9.718  -8.821   7.389
    7   1HE   MET   0          3HE       MET   0   7.641  -6.614   7.394
    8   2HE   MET   0          1HE       MET   0   6.325  -7.274   6.414
    9   3HE   MET   0          2HE       MET   0   7.204  -8.325   7.554
   10    QB   MET   0           QB       MET   0  10.611  -6.741   7.701
   11    QG   MET   0           QG       MET   0  10.208  -8.763   6.659
   12    QE   MET   0           QE       MET   0   7.057  -7.404   7.121
   13    H    GLY   1           H        GLY   1  11.309  -3.938   4.408
   14   1HA   GLY   1          1HA       GLY   1  11.785  -2.021   6.623
   15   2HA   GLY   1          2HA       GLY   1  12.315  -1.861   4.949
   16    QA   GLY   1           QA       GLY   1  12.050  -1.941   5.786
   17    H    LYS   2           H        LYS   2   9.113  -3.122   5.269
   18    HA   LYS   2           HA       LYS   2   7.110  -2.332   4.611
   19   1HB   LYS   2          1HB       LYS   2   7.017  -1.471   6.796
   20   2HB   LYS   2          2HB       LYS   2   8.040  -0.121   6.408
   21   1HG   LYS   2          1HG       LYS   2   5.778   0.185   4.675
   22   2HG   LYS   2          2HG       LYS   2   5.127  -0.418   6.198
   23   1HD   LYS   2          1HD       LYS   2   5.190   1.996   6.349
   24   2HD   LYS   2          2HD       LYS   2   6.447   1.335   7.398
   25   1HE   LYS   2          1HE       LYS   2   8.144   1.701   5.631
   26   2HE   LYS   2          2HE       LYS   2   6.924   2.439   4.597
   27   1HZ   LYS   2          3HZ       LYS   2   7.545   3.461   7.292
   28   2HZ   LYS   2          1HZ       LYS   2   8.389   3.956   5.965
   29   3HZ   LYS   2          2HZ       LYS   2   6.768   4.246   6.077
   30    QB   LYS   2           QB       LYS   2   7.528  -0.796   6.602
   31    QG   LYS   2           QG       LYS   2   5.452  -0.116   5.436
   32    QD   LYS   2           QD       LYS   2   5.818   1.665   6.873
   33    QE   LYS   2           QE       LYS   2   7.534   2.070   5.114
   34    QZ   LYS   2           QZ       LYS   2   7.567   3.888   6.444
   35    H    ASP   3           H        ASP   3   7.898  -2.516   2.553
   36    HA   ASP   3           HA       ASP   3   9.002  -0.423   0.964
   37   1HB   ASP   3          1HB       ASP   3   9.218  -2.849   0.565
   38   2HB   ASP   3          2HB       ASP   3   7.472  -2.991   0.377
   39    QB   ASP   3           QB       ASP   3   8.345  -2.920   0.471
   40    H    TYR   4           H        TYR   4   5.815  -0.929   2.061
   41    HA   TYR   4           HA       TYR   4   3.823  -0.024   1.767
   42   1HB   TYR   4          1HB       TYR   4   5.064   2.008  -0.106
   43   2HB   TYR   4          2HB       TYR   4   3.412   1.994   0.457
   44    HD1  TYR   4          1HD       TYR   4   3.278   1.609   3.228
   45    HD2  TYR   4          2HD       TYR   4   6.278   3.706   0.966
   46    HE1  TYR   4          1HE       TYR   4   3.579   3.164   5.101
   47    HE2  TYR   4          2HE       TYR   4   6.670   5.220   2.938
   48    HH   TYR   4           HH       TYR   4   4.508   5.262   5.699
   49    QB   TYR   4           QB       TYR   4   4.238   2.001   0.176
   50    QG   TYR   4           QD       TYR   4   4.778   2.658   2.097
   51    QZ   TYR   4           QE       TYR   4   5.125   4.192   4.019
   52    QR   TYR   4           QR       TYR   4   4.952   3.425   3.058
   53    H    TYR   5           H        TYR   5   5.368  -0.023  -1.500
   54    HA   TYR   5           HA       TYR   5   2.995  -0.774  -2.934
   55   1HB   TYR   5          1HB       TYR   5   5.946  -0.710  -3.469
   56   2HB   TYR   5          2HB       TYR   5   4.967  -1.772  -4.462
   57    HD1  TYR   5          1HD       TYR   5   5.178   1.789  -3.269
   58    HD2  TYR   5          2HD       TYR   5   3.674  -0.933  -6.258
   59    HE1  TYR   5          1HE       TYR   5   4.382   3.708  -4.618
   60    HE2  TYR   5          2HE       TYR   5   2.863   0.959  -7.590
   61    HH   TYR   5           HH       TYR   5   3.775   4.147  -7.169
   62    QB   TYR   5           QB       TYR   5   5.457  -1.241  -3.966
   63    QG   TYR   5           QD       TYR   5   4.426   0.428  -4.763
   64    QZ   TYR   5           QE       TYR   5   3.623   2.333  -6.104
   65    QR   TYR   5           QR       TYR   5   4.024   1.381  -5.433
   66    H    GLN   6           H        GLN   6   5.811  -2.813  -1.909
   67    HA   GLN   6           HA       GLN   6   4.393  -5.223  -2.382
   68   1HB   GLN   6          1HB       GLN   6   6.918  -4.760  -2.258
   69   2HB   GLN   6          2HB       GLN   6   6.756  -4.880  -0.502
   70   1HG   GLN   6          1HG       GLN   6   5.846  -7.207  -0.806
   71   2HG   GLN   6          2HG       GLN   6   6.162  -7.057  -2.540
   72   1HE2  GLN   6          2HE2      GLN   6   9.840  -6.835  -1.914
   73   2HE2  GLN   6          1HE2      GLN   6   8.595  -6.186  -2.978
   74    QB   GLN   6           QB       GLN   6   6.837  -4.820  -1.380
   75    QG   GLN   6           QG       GLN   6   6.004  -7.132  -1.673
   76    QE2  GLN   6           QE2      GLN   6   9.217  -6.511  -2.446
   77    H    THR   7           H        THR   7   4.611  -3.188   0.553
   78    HA   THR   7           HA       THR   7   3.452  -5.042   2.386
   79    HB   THR   7           HB       THR   7   3.098  -2.025   2.327
   80    HG1  THR   7          1HG       THR   7   5.239  -3.533   3.410
   81   1HG2  THR   7          2HG2      THR   7   3.217  -3.931   4.713
   82   2HG2  THR   7          3HG2      THR   7   3.178  -2.165   4.808
   83   3HG2  THR   7          1HG2      THR   7   1.796  -3.038   4.144
   84    QG2  THR   7           QG2      THR   7   2.730  -3.045   4.555
   85    H    LEU   8           H        LEU   8   2.141  -3.166  -0.225
   86    HA   LEU   8           HA       LEU   8  -0.614  -4.047   0.330
   87   1HB   LEU   8          1HB       LEU   8   0.033  -1.586   0.049
   88   2HB   LEU   8          2HB       LEU   8   0.268  -1.950  -1.646
   89    HG   LEU   8           HG       LEU   8  -2.314  -3.009  -0.784
   90   1HD1  LEU   8          3HD1      LEU   8  -2.125  -1.299   1.016
   91   2HD1  LEU   8          1HD1      LEU   8  -2.082  -0.049  -0.237
   92   3HD1  LEU   8          2HD1      LEU   8  -3.507  -1.103  -0.067
   93   1HD2  LEU   8          1HD2      LEU   8  -1.602  -0.715  -2.652
   94   2HD2  LEU   8          2HD2      LEU   8  -1.869  -2.426  -3.070
   95   3HD2  LEU   8          3HD2      LEU   8  -3.205  -1.448  -2.498
   96    QB   LEU   8           QB       LEU   8   0.151  -1.768  -0.799
   97    QD1  LEU   8           QD1      LEU   8  -2.571  -0.817   0.237
   98    QD2  LEU   8           QD2      LEU   8  -2.225  -1.530  -2.740
   99    QQD  LEU   8           QQD      LEU   8  -2.398  -1.173  -1.252
  100    H    GLY   9           H        GLY   9   1.850  -5.534  -1.043
  101   1HA   GLY   9          1HA       GLY   9   1.814  -7.418  -2.336
  102   2HA   GLY   9          2HA       GLY   9   0.100  -7.144  -2.647
  103    QA   GLY   9           QA       GLY   9   0.957  -7.281  -2.492
  104    H    LEU  10           H        LEU  10   2.780  -4.899  -3.516
  105    HA   LEU  10           HA       LEU  10   2.307  -5.400  -6.419
  106   1HB   LEU  10          1HB       LEU  10   2.422  -2.764  -4.936
  107   2HB   LEU  10          2HB       LEU  10   2.319  -2.905  -6.675
  108    HG   LEU  10           HG       LEU  10   0.103  -4.234  -5.105
  109   1HD1  LEU  10          1HD1      LEU  10   0.588  -1.285  -5.419
  110   2HD1  LEU  10          2HD1      LEU  10  -1.010  -1.989  -5.054
  111   3HD1  LEU  10          3HD1      LEU  10   0.345  -2.210  -3.924
  112   1HD2  LEU  10          1HD2      LEU  10   0.301  -4.275  -7.629
  113   2HD2  LEU  10          2HD2      LEU  10  -1.203  -3.578  -7.012
  114   3HD2  LEU  10          3HD2      LEU  10   0.069  -2.515  -7.600
  115    QB   LEU  10           QB       LEU  10   2.371  -2.835  -5.806
  116    QD1  LEU  10           QD1      LEU  10  -0.026  -1.828  -4.799
  117    QD2  LEU  10           QD2      LEU  10  -0.278  -3.456  -7.414
  118    QQD  LEU  10           QQD      LEU  10  -0.152  -2.642  -6.106
  119    H    ALA  11           H        ALA  11   3.926  -3.838  -7.622
  120    HA   ALA  11           HA       ALA  11   6.494  -3.317  -6.282
  121   1HB   ALA  11          3HB       ALA  11   6.752  -5.450  -7.685
  122   2HB   ALA  11          1HB       ALA  11   6.341  -4.446  -9.108
  123   3HB   ALA  11          2HB       ALA  11   7.781  -4.077  -8.166
  124    QB   ALA  11           QB       ALA  11   6.958  -4.658  -8.320
  125    H    ARG  12           H        ARG  12   7.734  -1.846  -7.664
  126    HA   ARG  12           HA       ARG  12   6.306   0.404  -8.745
  127   1HB   ARG  12          1HB       ARG  12   9.081  -0.509  -9.549
  128   2HB   ARG  12          2HB       ARG  12   8.390   1.104  -9.605
  129   1HG   ARG  12          1HG       ARG  12   9.579   1.492  -7.769
  130   2HG   ARG  12          2HG       ARG  12   8.307   0.653  -6.896
  131   1HD   ARG  12          1HD       ARG  12   9.567  -1.351  -6.723
  132   2HD   ARG  12          2HD       ARG  12  10.583  -0.966  -8.105
  133    HE   ARG  12           HE       ARG  12  11.131  -0.402  -5.390
  134   1HH1  ARG  12          2HH2      ARG  12  11.557   1.062  -8.622
  135   2HH1  ARG  12          1HH2      ARG  12  12.943   1.971  -8.192
  136   1HH2  ARG  12          2HH1      ARG  12  13.331   0.487  -4.978
  137   2HH2  ARG  12          1HH1      ARG  12  13.963   1.582  -6.148
  138    QB   ARG  12           QB       ARG  12   8.736   0.298  -9.577
  139    QG   ARG  12           QG       ARG  12   8.943   1.072  -7.333
  140    QD   ARG  12           QD       ARG  12  10.075  -1.158  -7.414
  141    QH1  ARG  12           QH2      ARG  12  12.250   1.517  -8.407
  142    QH2  ARG  12           QH1      ARG  12  13.647   1.034  -5.563
  143    H    GLY  13           H        GLY  13   5.094   0.259 -10.485
  144   1HA   GLY  13          1HA       GLY  13   5.393   0.116 -13.023
  145   2HA   GLY  13          2HA       GLY  13   5.669  -1.608 -12.748
  146    QA   GLY  13           QA       GLY  13   5.531  -0.746 -12.886
  147    H    ALA  14           H        ALA  14   3.418  -0.503 -10.485
  148    HA   ALA  14           HA       ALA  14   1.222  -1.991 -11.718
  149   1HB   ALA  14          1HB       ALA  14   1.618  -0.428  -9.120
  150   2HB   ALA  14          2HB       ALA  14   0.135  -1.276  -9.545
  151   3HB   ALA  14          3HB       ALA  14   1.640  -2.198  -9.331
  152    QB   ALA  14           QB       ALA  14   1.131  -1.301  -9.332
  153    H    SER  15           H        SER  15  -0.518  -1.043 -12.797
  154    HA   SER  15           HA       SER  15  -0.664   1.853 -13.167
  155   1HB   SER  15          1HB       SER  15  -2.774   1.381 -14.275
  156   2HB   SER  15          2HB       SER  15  -1.587   0.197 -14.844
  157    HG   SER  15           HG       SER  15  -3.617  -0.783 -14.261
  158    QB   SER  15           QB       SER  15  -2.181   0.789 -14.559
  159    H    ASP  16           H        ASP  16  -2.653   3.067 -12.395
  160    HA   ASP  16           HA       ASP  16  -2.546   2.740  -9.540
  161   1HB   ASP  16          1HB       ASP  16  -3.936   4.733 -11.327
  162   2HB   ASP  16          2HB       ASP  16  -4.224   4.688  -9.584
  163    QB   ASP  16           QB       ASP  16  -4.080   4.710 -10.455
  164    H    GLU  17           H        GLU  17  -4.475   1.393 -11.977
  165    HA   GLU  17           HA       GLU  17  -6.798   0.776 -10.287
  166   1HB   GLU  17          1HB       GLU  17  -6.514   1.106 -12.989
  167   2HB   GLU  17          2HB       GLU  17  -6.354  -0.635 -12.888
  168   1HG   GLU  17          1HG       GLU  17  -8.652   1.042 -11.789
  169   2HG   GLU  17          2HG       GLU  17  -8.677   0.210 -13.331
  170    QB   GLU  17           QB       GLU  17  -6.434   0.236 -12.938
  171    QG   GLU  17           QG       GLU  17  -8.664   0.626 -12.560
  172    H    GLU  18           H        GLU  18  -3.598  -0.587 -11.034
  173    HA   GLU  18           HA       GLU  18  -4.342  -3.323 -10.231
  174   1HB   GLU  18          1HB       GLU  18  -2.315  -2.273 -11.775
  175   2HB   GLU  18          2HB       GLU  18  -1.491  -2.464 -10.251
  176   1HG   GLU  18          1HG       GLU  18  -3.110  -4.763 -11.403
  177   2HG   GLU  18          2HG       GLU  18  -1.507  -4.397 -12.013
  178    QB   GLU  18           QB       GLU  18  -1.903  -2.369 -11.013
  179    QG   GLU  18           QG       GLU  18  -2.308  -4.580 -11.708
  180    H    ILE  19           H        ILE  19  -2.982  -0.305  -9.118
  181    HA   ILE  19           HA       ILE  19  -2.443  -1.055  -6.428
  182    HB   ILE  19           HB       ILE  19  -2.926   1.564  -7.841
  183   1HG1  ILE  19          1HG1      ILE  19  -0.580   0.148  -6.538
  184   2HG1  ILE  19          2HG1      ILE  19  -0.846   0.415  -8.248
  185   1HG2  ILE  19          1HG2      ILE  19  -2.598   1.255  -4.847
  186   2HG2  ILE  19          2HG2      ILE  19  -2.333   2.781  -5.739
  187   3HG2  ILE  19          3HG2      ILE  19  -3.911   2.043  -5.734
  188   1HD1  ILE  19          3HD1      ILE  19  -0.638   2.880  -7.814
  189   2HD1  ILE  19          1HD1      ILE  19  -0.070   2.455  -6.169
  190   3HD1  ILE  19          2HD1      ILE  19   0.825   1.901  -7.594
  191    QG1  ILE  19           QG1      ILE  19  -0.713   0.282  -7.393
  192    QG2  ILE  19           QG2      ILE  19  -2.947   2.026  -5.440
  193    QD1  ILE  19           QD1      ILE  19   0.039   2.412  -7.192
  194    H    LYS  20           H        LYS  20  -5.324   0.788  -7.639
  195    HA   LYS  20           HA       LYS  20  -6.783   0.355  -5.283
  196   1HB   LYS  20          1HB       LYS  20  -7.656   1.026  -8.095
  197   2HB   LYS  20          2HB       LYS  20  -8.863   0.709  -6.835
  198   1HG   LYS  20          1HG       LYS  20  -7.851   2.369  -5.356
  199   2HG   LYS  20          2HG       LYS  20  -6.596   2.710  -6.544
  200   1HD   LYS  20          1HD       LYS  20  -9.576   3.159  -7.014
  201   2HD   LYS  20          2HD       LYS  20  -8.501   4.386  -6.358
  202   1HE   LYS  20          1HE       LYS  20  -8.275   3.104  -9.109
  203   2HE   LYS  20          2HE       LYS  20  -8.864   4.731  -8.752
  204   1HZ   LYS  20          2HZ       LYS  20  -6.549   5.067  -7.746
  205   2HZ   LYS  20          3HZ       LYS  20  -6.127   3.703  -8.560
  206   3HZ   LYS  20          1HZ       LYS  20  -6.674   5.017  -9.387
  207    QB   LYS  20           QB       LYS  20  -8.260   0.868  -7.465
  208    QG   LYS  20           QG       LYS  20  -7.224   2.539  -5.950
  209    QD   LYS  20           QD       LYS  20  -9.039   3.773  -6.686
  210    QE   LYS  20           QE       LYS  20  -8.569   3.918  -8.930
  211    QZ   LYS  20           QZ       LYS  20  -6.450   4.596  -8.564
  212    H    ARG  21           H        ARG  21  -6.536  -1.895  -8.014
  213    HA   ARG  21           HA       ARG  21  -8.398  -3.864  -7.118
  214   1HB   ARG  21          1HB       ARG  21  -7.301  -4.087  -9.239
  215   2HB   ARG  21          2HB       ARG  21  -5.717  -4.035  -8.539
  216   1HG   ARG  21          1HG       ARG  21  -5.989  -6.230  -7.521
  217   2HG   ARG  21          2HG       ARG  21  -7.667  -6.317  -8.107
  218   1HD   ARG  21          1HD       ARG  21  -6.946  -6.398 -10.399
  219   2HD   ARG  21          2HD       ARG  21  -5.330  -5.823  -9.988
  220    HE   ARG  21           HE       ARG  21  -4.643  -7.900  -9.763
  221   1HH1  ARG  21          2HH2      ARG  21  -8.140  -8.051  -9.046
  222   2HH1  ARG  21          1HH2      ARG  21  -8.208  -9.764  -9.120
  223   1HH2  ARG  21          2HH1      ARG  21  -4.815 -10.140 -10.014
  224   2HH2  ARG  21          1HH1      ARG  21  -6.226 -11.017  -9.570
  225    QB   ARG  21           QB       ARG  21  -6.509  -4.061  -8.889
  226    QG   ARG  21           QG       ARG  21  -6.828  -6.273  -7.814
  227    QD   ARG  21           QD       ARG  21  -6.138  -6.111 -10.194
  228    QH1  ARG  21           QH2      ARG  21  -8.174  -8.907  -9.083
  229    QH2  ARG  21           QH1      ARG  21  -5.520 -10.578  -9.792
  230    H    ALA  22           H        ALA  22  -4.908  -3.715  -6.601
  231    HA   ALA  22           HA       ALA  22  -4.662  -5.736  -4.708
  232   1HB   ALA  22          3HB       ALA  22  -2.787  -4.757  -5.893
  233   2HB   ALA  22          1HB       ALA  22  -2.952  -3.252  -4.968
  234   3HB   ALA  22          2HB       ALA  22  -2.515  -4.767  -4.147
  235    QB   ALA  22           QB       ALA  22  -2.751  -4.258  -5.003
  236    H    TYR  23           H        TYR  23  -5.062  -2.152  -3.945
  237    HA   TYR  23           HA       TYR  23  -5.138  -2.075  -1.301
  238   1HB   TYR  23          1HB       TYR  23  -5.498  -0.518  -3.487
  239   2HB   TYR  23          2HB       TYR  23  -7.181  -0.773  -3.218
  240    HD1  TYR  23          2HD       TYR  23  -3.992   0.589  -2.000
  241    HD2  TYR  23          1HD       TYR  23  -8.321   0.715  -1.778
  242    HE1  TYR  23          2HE       TYR  23  -3.871   2.887  -1.173
  243    HE2  TYR  23          1HE       TYR  23  -8.190   3.029  -0.905
  244    HH   TYR  23           HH       TYR  23  -5.068   4.594  -0.221
  245    QB   TYR  23           QB       TYR  23  -6.339  -0.646  -3.352
  246    QG   TYR  23           QD       TYR  23  -6.156   0.652  -1.889
  247    QZ   TYR  23           QE       TYR  23  -6.031   2.958  -1.039
  248    QR   TYR  23           QR       TYR  23  -6.093   1.805  -1.464
  249    H    ARG  24           H        ARG  24  -8.198  -2.512  -3.241
  250    HA   ARG  24           HA       ARG  24  -9.688  -3.021  -0.837
  251   1HB   ARG  24          1HB       ARG  24 -11.542  -3.645  -2.250
  252   2HB   ARG  24          2HB       ARG  24 -10.758  -2.179  -2.839
  253   1HG   ARG  24          1HG       ARG  24  -9.607  -3.542  -4.592
  254   2HG   ARG  24          2HG       ARG  24 -10.508  -4.970  -4.053
  255   1HD   ARG  24          1HD       ARG  24 -12.609  -3.936  -4.622
  256   2HD   ARG  24          2HD       ARG  24 -11.822  -2.373  -4.932
  257    HE   ARG  24           HE       ARG  24 -10.563  -4.039  -6.682
  258   1HH1  ARG  24          2HH2      ARG  24 -13.988  -3.149  -6.124
  259   2HH1  ARG  24          1HH2      ARG  24 -14.366  -3.219  -7.830
  260   1HH2  ARG  24          2HH1      ARG  24 -11.173  -3.969  -8.968
  261   2HH2  ARG  24          1HH1      ARG  24 -12.849  -3.776  -9.341
  262    QB   ARG  24           QB       ARG  24 -11.150  -2.912  -2.544
  263    QG   ARG  24           QG       ARG  24 -10.057  -4.256  -4.322
  264    QD   ARG  24           QD       ARG  24 -12.216  -3.155  -4.777
  265    QH1  ARG  24           QH2      ARG  24 -14.177  -3.184  -6.977
  266    QH2  ARG  24           QH1      ARG  24 -12.011  -3.872  -9.154
  267    H    ARG  25           H        ARG  25  -8.054  -5.168  -3.165
  268    HA   ARG  25           HA       ARG  25  -8.985  -7.629  -2.046
  269   1HB   ARG  25          1HB       ARG  25  -7.994  -7.216  -4.302
  270   2HB   ARG  25          2HB       ARG  25  -6.419  -6.977  -3.545
  271   1HG   ARG  25          1HG       ARG  25  -6.456  -9.364  -2.786
  272   2HG   ARG  25          2HG       ARG  25  -8.029  -9.560  -3.613
  273   1HD   ARG  25          1HD       ARG  25  -6.939  -8.690  -5.725
  274   2HD   ARG  25          2HD       ARG  25  -5.394  -8.655  -4.861
  275    HE   ARG  25           HE       ARG  25  -6.827 -11.243  -4.999
  276   1HH1  ARG  25          2HH2      ARG  25  -4.080  -9.302  -6.110
  277   2HH1  ARG  25          1HH2      ARG  25  -3.498 -10.445  -7.231
  278   1HH2  ARG  25          2HH1      ARG  25  -6.138 -12.789  -6.624
  279   2HH2  ARG  25          1HH1      ARG  25  -4.750 -12.457  -7.574
  280    QB   ARG  25           QB       ARG  25  -7.207  -7.096  -3.924
  281    QG   ARG  25           QG       ARG  25  -7.243  -9.462  -3.199
  282    QD   ARG  25           QD       ARG  25  -6.166  -8.673  -5.293
  283    QH1  ARG  25           QH2      ARG  25  -3.789  -9.873  -6.671
  284    QH2  ARG  25           QH1      ARG  25  -5.444 -12.623  -7.099
  285    H    GLN  26           H        GLN  26  -6.348  -5.408  -1.041
  286    HA   GLN  26           HA       GLN  26  -5.068  -7.296   0.697
  287   1HB   GLN  26          1HB       GLN  26  -4.819  -4.451  -0.249
  288   2HB   GLN  26          2HB       GLN  26  -4.141  -4.676   1.271
  289   1HG   GLN  26          1HG       GLN  26  -3.539  -6.659  -0.996
  290   2HG   GLN  26          2HG       GLN  26  -2.774  -5.101  -0.965
  291   1HE2  GLN  26          2HE2      GLN  26  -0.972  -5.978   2.212
  292   2HE2  GLN  26          1HE2      GLN  26  -2.354  -4.951   1.985
  293    QB   GLN  26           QB       GLN  26  -4.480  -4.564   0.511
  294    QG   GLN  26           QG       GLN  26  -3.156  -5.880  -0.980
  295    QE2  GLN  26           QE2      GLN  26  -1.663  -5.465   2.099
  296    H    ALA  27           H        ALA  27  -7.111  -4.364   1.157
  297    HA   ALA  27           HA       ALA  27  -7.422  -4.601   3.986
  298   1HB   ALA  27          3HB       ALA  27  -9.200  -3.472   1.797
  299   2HB   ALA  27          1HB       ALA  27  -9.535  -3.293   3.532
  300   3HB   ALA  27          2HB       ALA  27  -8.063  -2.580   2.841
  301    QB   ALA  27           QB       ALA  27  -8.933  -3.115   2.723
  302    H    LEU  28           H        LEU  28  -9.138  -6.184   1.251
  303    HA   LEU  28           HA       LEU  28 -10.980  -7.669   2.869
  304   1HB   LEU  28          1HB       LEU  28 -11.277  -7.363   0.443
  305   2HB   LEU  28          2HB       LEU  28  -9.793  -8.259   0.137
  306    HG   LEU  28           HG       LEU  28 -10.883 -10.296   1.212
  307   1HD1  LEU  28          2HD1      LEU  28 -13.363  -8.514   1.042
  308   2HD1  LEU  28          3HD1      LEU  28 -13.380 -10.267   1.313
  309   3HD1  LEU  28          1HD1      LEU  28 -12.653  -9.200   2.521
  310   1HD2  LEU  28          3HD2      LEU  28 -12.167  -9.032  -1.237
  311   2HD2  LEU  28          1HD2      LEU  28 -10.686 -10.028  -1.194
  312   3HD2  LEU  28          2HD2      LEU  28 -12.243 -10.764  -0.798
  313    QB   LEU  28           QB       LEU  28 -10.535  -7.811   0.290
  314    QD1  LEU  28           QD1      LEU  28 -13.132  -9.327   1.626
  315    QD2  LEU  28           QD2      LEU  28 -11.699  -9.941  -1.076
  316    QQD  LEU  28           QQD      LEU  28 -12.415  -9.634   0.275
  317    H    ARG  29           H        ARG  29  -7.772  -8.624   1.410
  318    HA   ARG  29           HA       ARG  29  -7.722 -11.223   2.230
  319   1HB   ARG  29          1HB       ARG  29  -6.145 -10.280   0.615
  320   2HB   ARG  29          2HB       ARG  29  -5.555  -9.126   1.798
  321   1HG   ARG  29          1HG       ARG  29  -3.924 -10.831   1.417
  322   2HG   ARG  29          2HG       ARG  29  -4.495 -10.816   3.074
  323   1HD   ARG  29          1HD       ARG  29  -6.162 -12.677   1.655
  324   2HD   ARG  29          2HD       ARG  29  -4.517 -13.021   1.162
  325    HE   ARG  29           HE       ARG  29  -5.727 -13.305   3.804
  326   1HH1  ARG  29          2HH2      ARG  29  -2.593 -12.928   2.144
  327   2HH1  ARG  29          1HH2      ARG  29  -1.683 -13.761   3.350
  328   1HH2  ARG  29          2HH1      ARG  29  -4.576 -14.492   5.355
  329   2HH2  ARG  29          1HH1      ARG  29  -2.884 -14.707   5.291
  330    QB   ARG  29           QB       ARG  29  -5.850  -9.703   1.207
  331    QG   ARG  29           QG       ARG  29  -4.210 -10.824   2.246
  332    QD   ARG  29           QD       ARG  29  -5.340 -12.849   1.409
  333    QH1  ARG  29           QH2      ARG  29  -2.138 -13.344   2.747
  334    QH2  ARG  29           QH1      ARG  29  -3.730 -14.600   5.323
  335    H    TYR  30           H        TYR  30  -6.606  -8.377   4.073
  336    HA   TYR  30           HA       TYR  30  -6.140 -10.089   6.441
  337   1HB   TYR  30          1HB       TYR  30  -5.131  -7.303   5.827
  338   2HB   TYR  30          2HB       TYR  30  -4.725  -8.264   7.240
  339    HD1  TYR  30          2HD       TYR  30  -3.345 -10.400   6.983
  340    HD2  TYR  30          1HD       TYR  30  -4.013  -7.673   3.709
  341    HE1  TYR  30          2HE       TYR  30  -1.433 -11.400   5.742
  342    HE2  TYR  30          1HE       TYR  30  -2.079  -8.610   2.519
  343    HH   TYR  30           HH       TYR  30  -0.116  -9.850   2.844
  344    QB   TYR  30           QB       TYR  30  -4.928  -7.784   6.534
  345    QG   TYR  30           QD       TYR  30  -3.679  -9.036   5.346
  346    QZ   TYR  30           QE       TYR  30  -1.756 -10.005   4.130
  347    QR   TYR  30           QR       TYR  30  -2.717  -9.521   4.738
  348    H    HIS  31           H        HIS  31  -8.834  -8.800   5.322
  349    HA   HIS  31           HA       HIS  31  -9.698  -6.989   7.308
  350   1HB   HIS  31          1HB       HIS  31 -10.934  -8.094   5.124
  351   2HB   HIS  31          2HB       HIS  31 -11.707  -9.000   6.417
  352    HD1  HIS  31          1HD       HIS  31 -13.293  -7.464   8.129
  353    HD2  HIS  31          2HD       HIS  31 -11.807  -5.784   4.604
  354    HE1  HIS  31          1HE       HIS  31 -14.360  -5.283   8.001
  355    QB   HIS  31           QB       HIS  31 -11.320  -8.547   5.771
  356    HA   PRO  32           HA       PRO  32  -9.023  -9.690  10.725
  357   1HB   PRO  32          1HB       PRO  32 -10.794  -8.682  12.613
  358   2HB   PRO  32          2HB       PRO  32  -9.221  -7.952  12.164
  359   1HG   PRO  32          1HG       PRO  32 -11.963  -7.225  11.084
  360   2HG   PRO  32          2HG       PRO  32 -10.709  -6.115  11.712
  361   1HD   PRO  32          1HD       PRO  32 -10.992  -6.548   9.095
  362   2HD   PRO  32          2HD       PRO  32  -9.337  -6.508   9.795
  363    QB   PRO  32           QB       PRO  32 -10.007  -8.317  12.388
  364    QG   PRO  32           QG       PRO  32 -11.336  -6.670  11.398
  365    QD   PRO  32           QD       PRO  32 -10.165  -6.528   9.445
  366    H    ASP  33           H        ASP  33 -12.388  -9.037   9.793
  367    HA   ASP  33           HA       ASP  33 -13.344 -11.508  10.887
  368   1HB   ASP  33          1HB       ASP  33 -15.486 -10.829  10.309
  369   2HB   ASP  33          2HB       ASP  33 -14.644  -9.351  10.761
  370    QB   ASP  33           QB       ASP  33 -15.065 -10.090  10.535
  371    H    LYS  34           H        LYS  34 -11.829 -10.717   7.881
  372    HA   LYS  34           HA       LYS  34 -13.229 -12.860   6.367
  373   1HB   LYS  34          1HB       LYS  34 -12.623 -10.780   5.059
  374   2HB   LYS  34          2HB       LYS  34 -10.990 -10.929   5.662
  375   1HG   LYS  34          1HG       LYS  34 -10.784 -11.641   3.486
  376   2HG   LYS  34          2HG       LYS  34 -10.682 -13.109   4.410
  377   1HD   LYS  34          1HD       LYS  34 -13.127 -12.041   2.928
  378   2HD   LYS  34          2HD       LYS  34 -12.000 -13.245   2.315
  379   1HE   LYS  34          1HE       LYS  34 -13.236 -14.861   3.185
  380   2HE   LYS  34          2HE       LYS  34 -12.794 -14.310   4.793
  381   1HZ   LYS  34          1HZ       LYS  34 -14.789 -12.842   4.720
  382   2HZ   LYS  34          2HZ       LYS  34 -15.143 -13.414   3.226
  383   3HZ   LYS  34          3HZ       LYS  34 -15.171 -14.424   4.520
  384    QB   LYS  34           QB       LYS  34 -11.807 -10.854   5.360
  385    QG   LYS  34           QG       LYS  34 -10.733 -12.375   3.948
  386    QD   LYS  34           QD       LYS  34 -12.564 -12.643   2.622
  387    QE   LYS  34           QE       LYS  34 -13.015 -14.585   3.989
  388    QZ   LYS  34           QZ       LYS  34 -15.035 -13.560   4.156
  389    H    ASN  35           H        ASN  35  -9.985 -11.949   7.603
  390    HA   ASN  35           HA       ASN  35  -8.740 -14.267   6.406
  391   1HB   ASN  35          1HB       ASN  35  -7.828 -11.791   6.926
  392   2HB   ASN  35          2HB       ASN  35  -7.432 -12.483   8.495
  393   1HD2  ASN  35          2HD2      ASN  35  -4.274 -12.874   6.873
  394   2HD2  ASN  35          1HD2      ASN  35  -5.291 -11.616   7.468
  395    QB   ASN  35           QB       ASN  35  -7.630 -12.137   7.710
  396    QD2  ASN  35           QD2      ASN  35  -4.783 -12.245   7.170
  397    H    LYS  36           H        LYS  36 -10.270 -13.679   9.352
  398    HA   LYS  36           HA       LYS  36 -10.217 -14.073  11.426
  399   1HB   LYS  36          1HB       LYS  36  -9.166 -16.682  10.476
  400   2HB   LYS  36          2HB       LYS  36  -9.603 -16.407  12.179
  401   1HG   LYS  36          1HG       LYS  36 -11.936 -15.720  11.192
  402   2HG   LYS  36          2HG       LYS  36 -11.375 -16.533   9.717
  403   1HD   LYS  36          1HD       LYS  36 -10.841 -18.549  11.235
  404   2HD   LYS  36          2HD       LYS  36 -11.726 -17.715  12.508
  405   1HE   LYS  36          1HE       LYS  36 -12.812 -18.646   9.813
  406   2HE   LYS  36          2HE       LYS  36 -13.146 -19.358  11.397
  407   1HZ   LYS  36          1HZ       LYS  36 -14.174 -17.182  11.994
  408   2HZ   LYS  36          2HZ       LYS  36 -14.006 -16.714  10.416
  409   3HZ   LYS  36          3HZ       LYS  36 -14.949 -18.012  10.799
  410    QB   LYS  36           QB       LYS  36  -9.385 -16.544  11.327
  411    QG   LYS  36           QG       LYS  36 -11.655 -16.127  10.454
  412    QD   LYS  36           QD       LYS  36 -11.283 -18.132  11.872
  413    QE   LYS  36           QE       LYS  36 -12.979 -19.002  10.605
  414    QZ   LYS  36           QZ       LYS  36 -14.376 -17.303  11.070
  415    H    GLU  37           H        GLU  37  -7.108 -14.450   9.922
  416    HA   GLU  37           HA       GLU  37  -5.387 -15.123  11.565
  417   1HB   GLU  37          1HB       GLU  37  -4.898 -14.528   9.364
  418   2HB   GLU  37          2HB       GLU  37  -5.246 -12.830   9.656
  419   1HG   GLU  37          1HG       GLU  37  -3.302 -12.566  11.009
  420   2HG   GLU  37          2HG       GLU  37  -3.013 -14.312  11.080
  421    QB   GLU  37           QB       GLU  37  -5.072 -13.679   9.510
  422    QG   GLU  37           QG       GLU  37  -3.158 -13.439  11.044
  423    HA   PRO  38           HA       PRO  38  -5.755 -12.341  15.054
  424   1HB   PRO  38          1HB       PRO  38  -3.930 -13.417  16.757
  425   2HB   PRO  38          2HB       PRO  38  -5.470 -14.224  16.348
  426   1HG   PRO  38          1HG       PRO  38  -2.727 -14.724  15.162
  427   2HG   PRO  38          2HG       PRO  38  -3.914 -15.929  15.757
  428   1HD   PRO  38          1HD       PRO  38  -3.662 -15.245  13.112
  429   2HD   PRO  38          2HD       PRO  38  -5.219 -15.733  13.833
  430    QB   PRO  38           QB       PRO  38  -4.700 -13.820  16.553
  431    QG   PRO  38           QG       PRO  38  -3.320 -15.326  15.460
  432    QD   PRO  38           QD       PRO  38  -4.441 -15.489  13.473
  433    H    GLY  39           H        GLY  39  -4.906 -10.356  15.298
  434   1HA   GLY  39          1HA       GLY  39  -3.326  -8.638  15.410
  435   2HA   GLY  39          2HA       GLY  39  -2.058  -9.720  14.837
  436    QA   GLY  39           QA       GLY  39  -2.692  -9.179  15.124
  437    H    ALA  40           H        ALA  40  -4.656 -10.329  12.749
  438    HA   ALA  40           HA       ALA  40  -3.569  -8.747  10.599
  439   1HB   ALA  40          3HB       ALA  40  -4.747 -10.814  10.147
  440   2HB   ALA  40          1HB       ALA  40  -6.269 -10.117  10.784
  441   3HB   ALA  40          2HB       ALA  40  -5.511  -9.446   9.329
  442    QB   ALA  40           QB       ALA  40  -5.509 -10.126  10.087
  443    H    GLU  41           H        GLU  41  -6.101  -8.251  13.070
  444    HA   GLU  41           HA       GLU  41  -7.365  -6.054  11.825
  445   1HB   GLU  41          1HB       GLU  41  -7.998  -7.498  13.886
  446   2HB   GLU  41          2HB       GLU  41  -7.045  -6.380  14.839
  447   1HG   GLU  41          1HG       GLU  41  -8.526  -4.608  14.508
  448   2HG   GLU  41          2HG       GLU  41  -9.068  -5.191  12.944
  449    QB   GLU  41           QB       GLU  41  -7.522  -6.939  14.363
  450    QG   GLU  41           QG       GLU  41  -8.797  -4.899  13.726
  451    H    GLU  42           H        GLU  42  -4.294  -6.240  13.558
  452    HA   GLU  42           HA       GLU  42  -4.022  -3.294  13.539
  453   1HB   GLU  42          1HB       GLU  42  -3.210  -4.578  15.487
  454   2HB   GLU  42          2HB       GLU  42  -2.073  -5.447  14.434
  455   1HG   GLU  42          1HG       GLU  42  -0.906  -3.355  13.901
  456   2HG   GLU  42          2HG       GLU  42  -2.148  -2.406  14.737
  457    QB   GLU  42           QB       GLU  42  -2.642  -5.013  14.960
  458    QG   GLU  42           QG       GLU  42  -1.527  -2.881  14.319
  459    H    LYS  43           H        LYS  43  -2.756  -6.187  11.871
  460    HA   LYS  43           HA       LYS  43  -0.927  -4.897  10.220
  461   1HB   LYS  43          1HB       LYS  43  -1.936  -7.449  10.407
  462   2HB   LYS  43          2HB       LYS  43  -2.507  -7.003   8.809
  463   1HG   LYS  43          1HG       LYS  43   0.366  -6.628   9.734
  464   2HG   LYS  43          2HG       LYS  43  -0.186  -8.122   8.980
  465   1HD   LYS  43          1HD       LYS  43  -0.236  -7.232   6.866
  466   2HD   LYS  43          2HD       LYS  43  -0.790  -5.664   7.406
  467   1HE   LYS  43          1HE       LYS  43   1.417  -5.363   6.536
  468   2HE   LYS  43          2HE       LYS  43   1.479  -5.129   8.289
  469   1HZ   LYS  43          1HZ       LYS  43   2.333  -7.411   8.471
  470   2HZ   LYS  43          2HZ       LYS  43   2.291  -7.568   6.829
  471   3HZ   LYS  43          3HZ       LYS  43   3.290  -6.479   7.528
  472    QB   LYS  43           QB       LYS  43  -2.222  -7.226   9.608
  473    QG   LYS  43           QG       LYS  43   0.090  -7.375   9.357
  474    QD   LYS  43           QD       LYS  43  -0.513  -6.448   7.136
  475    QE   LYS  43           QE       LYS  43   1.448  -5.246   7.412
  476    QZ   LYS  43           QZ       LYS  43   2.638  -7.153   7.609
  477    H    PHE  44           H        PHE  44  -4.379  -5.154   9.957
  478    HA   PHE  44           HA       PHE  44  -4.867  -4.064   7.429
  479   1HB   PHE  44          1HB       PHE  44  -6.510  -5.078   9.050
  480   2HB   PHE  44          2HB       PHE  44  -6.491  -3.579   9.953
  481    HD1  PHE  44          2HD       PHE  44  -7.037  -1.318   8.291
  482    HD2  PHE  44          1HD       PHE  44  -8.227  -5.423   7.653
  483    HE1  PHE  44          2HE       PHE  44  -8.795  -0.604   6.687
  484    HE2  PHE  44          1HE       PHE  44 -10.043  -4.661   6.166
  485   1HZ   PHE  44           HZ       PHE  44 -10.318  -2.238   5.669
  486    QB   PHE  44           QB       PHE  44  -6.500  -4.329   9.502
  487    QG   PHE  44           QD       PHE  44  -7.632  -3.370   7.972
  488    QZ   PHE  44           QE       PHE  44  -9.419  -2.632   6.427
  489    QZ   PHE  44           QR       PHE  44  -8.884  -2.849   6.893
  490    H    LYS  45           H        LYS  45  -4.250  -2.322  10.548
  491    HA   LYS  45           HA       LYS  45  -4.368   0.239   9.252
  492   1HB   LYS  45          1HB       LYS  45  -4.286   1.212  11.198
  493   2HB   LYS  45          2HB       LYS  45  -4.803  -0.372  11.753
  494   1HG   LYS  45          1HG       LYS  45  -2.203  -0.743  12.187
  495   2HG   LYS  45          2HG       LYS  45  -2.112   1.011  12.051
  496   1HD   LYS  45          1HD       LYS  45  -3.879  -0.578  13.960
  497   2HD   LYS  45          2HD       LYS  45  -2.394   0.279  14.406
  498   1HE   LYS  45          1HE       LYS  45  -3.378   2.427  14.047
  499   2HE   LYS  45          2HE       LYS  45  -4.707   1.754  13.094
  500   1HZ   LYS  45          3HZ       LYS  45  -5.546   0.688  15.077
  501   2HZ   LYS  45          1HZ       LYS  45  -4.385   1.446  15.999
  502   3HZ   LYS  45          2HZ       LYS  45  -5.547   2.297  15.153
  503    QB   LYS  45           QB       LYS  45  -4.544   0.420  11.475
  504    QG   LYS  45           QG       LYS  45  -2.158   0.134  12.119
  505    QD   LYS  45           QD       LYS  45  -3.136  -0.150  14.183
  506    QE   LYS  45           QE       LYS  45  -4.042   2.090  13.570
  507    QZ   LYS  45           QZ       LYS  45  -5.159   1.477  15.410
  508    H    GLU  46           H        GLU  46  -1.761  -2.131   9.618
  509    HA   GLU  46           HA       GLU  46   0.360  -0.302   9.020
  510   1HB   GLU  46          1HB       GLU  46   0.010  -2.974   9.703
  511   2HB   GLU  46          2HB       GLU  46   0.702  -3.076   8.091
  512   1HG   GLU  46          1HG       GLU  46   1.850  -1.368  10.332
  513   2HG   GLU  46          2HG       GLU  46   2.165  -3.087  10.197
  514    QB   GLU  46           QB       GLU  46   0.356  -3.025   8.897
  515    QG   GLU  46           QG       GLU  46   2.008  -2.227  10.265
  516    H    ILE  47           H        ILE  47  -1.797  -2.431   7.136
  517    HA   ILE  47           HA       ILE  47  -0.992  -1.691   4.505
  518    HB   ILE  47           HB       ILE  47  -3.663  -2.612   5.592
  519   1HG1  ILE  47          1HG1      ILE  47  -1.537  -4.086   3.976
  520   2HG1  ILE  47          2HG1      ILE  47  -1.649  -4.158   5.728
  521   1HG2  ILE  47          1HG2      ILE  47  -3.978  -1.350   3.441
  522   2HG2  ILE  47          2HG2      ILE  47  -2.858  -2.499   2.670
  523   3HG2  ILE  47          3HG2      ILE  47  -4.416  -3.038   3.345
  524   1HD1  ILE  47          3HD1      ILE  47  -4.023  -4.965   5.514
  525   2HD1  ILE  47          1HD1      ILE  47  -3.729  -5.143   3.767
  526   3HD1  ILE  47          2HD1      ILE  47  -2.746  -6.059   4.934
  527    QG1  ILE  47           QG1      ILE  47  -1.593  -4.122   4.852
  528    QG2  ILE  47           QG2      ILE  47  -3.751  -2.295   3.152
  529    QD1  ILE  47           QD1      ILE  47  -3.500  -5.389   4.738
  530    H    ALA  48           H        ALA  48  -3.169  -0.105   6.911
  531    HA   ALA  48           HA       ALA  48  -4.238   1.852   5.217
  532   1HB   ALA  48          1HB       ALA  48  -5.092   1.322   7.473
  533   2HB   ALA  48          2HB       ALA  48  -3.751   2.291   8.153
  534   3HB   ALA  48          3HB       ALA  48  -4.937   3.036   7.084
  535    QB   ALA  48           QB       ALA  48  -4.593   2.216   7.570
  536    H    GLU  49           H        GLU  49  -1.099   1.731   6.797
  537    HA   GLU  49           HA       GLU  49  -0.389   4.498   6.294
  538   1HB   GLU  49          1HB       GLU  49   0.756   2.293   7.654
  539   2HB   GLU  49          2HB       GLU  49   1.877   2.614   6.352
  540   1HG   GLU  49          1HG       GLU  49   0.968   4.475   8.571
  541   2HG   GLU  49          2HG       GLU  49   2.587   3.838   8.291
  542    QB   GLU  49           QB       GLU  49   1.316   2.454   7.003
  543    QG   GLU  49           QG       GLU  49   1.777   4.157   8.431
  544    H    ALA  50           H        ALA  50   0.020   1.410   4.552
  545    HA   ALA  50           HA       ALA  50   1.384   2.635   2.276
  546   1HB   ALA  50          2HB       ALA  50   1.583   0.176   2.925
  547   2HB   ALA  50          3HB       ALA  50  -0.101  -0.033   2.421
  548   3HB   ALA  50          1HB       ALA  50   1.115   0.453   1.235
  549    QB   ALA  50           QB       ALA  50   0.866   0.199   2.193
  550    H    TYR  51           H        TYR  51  -1.892   2.383   3.328
  551    HA   TYR  51           HA       TYR  51  -3.193   2.429   0.793
  552   1HB   TYR  51          1HB       TYR  51  -3.852   1.788   3.279
  553   2HB   TYR  51          2HB       TYR  51  -4.463   3.426   3.350
  554    HD1  TYR  51          1HD       TYR  51  -4.567   0.175   1.584
  555    HD2  TYR  51          2HD       TYR  51  -6.779   3.676   2.776
  556    HE1  TYR  51          1HE       TYR  51  -6.674  -1.039   1.149
  557    HE2  TYR  51          2HE       TYR  51  -8.887   2.487   2.365
  558    HH   TYR  51           HH       TYR  51  -9.041  -0.972   1.566
  559    QB   TYR  51           QB       TYR  51  -4.157   2.607   3.314
  560    QG   TYR  51           QD       TYR  51  -5.673   1.925   2.180
  561    QZ   TYR  51           QE       TYR  51  -7.780   0.724   1.757
  562    QR   TYR  51           QR       TYR  51  -6.727   1.325   1.968
  563    H    ASP  52           H        ASP  52  -2.336   4.869   3.258
  564    HA   ASP  52           HA       ASP  52  -3.226   7.265   1.965
  565   1HB   ASP  52          1HB       ASP  52  -2.415   7.212   4.292
  566   2HB   ASP  52          2HB       ASP  52  -0.789   6.815   3.737
  567    QB   ASP  52           QB       ASP  52  -1.602   7.014   4.014
  568    H    VAL  53           H        VAL  53  -0.082   5.553   1.885
  569    HA   VAL  53           HA       VAL  53   1.204   7.260   0.063
  570    HB   VAL  53           HB       VAL  53   1.586   4.267   0.520
  571   1HG1  VAL  53          3HG1      VAL  53   3.492   6.272  -0.749
  572   2HG1  VAL  53          1HG1      VAL  53   3.924   4.614  -0.275
  573   3HG1  VAL  53          2HG1      VAL  53   2.730   4.877  -1.539
  574   1HG2  VAL  53          2HG2      VAL  53   2.001   6.236   2.397
  575   2HG2  VAL  53          3HG2      VAL  53   2.706   4.620   2.349
  576   3HG2  VAL  53          1HG2      VAL  53   3.623   5.967   1.697
  577    QG1  VAL  53           QG1      VAL  53   3.382   5.255  -0.854
  578    QG2  VAL  53           QG2      VAL  53   2.777   5.607   2.148
  579    QQG  VAL  53           QQG      VAL  53   3.079   5.431   0.647
  580    H    LEU  54           H        LEU  54  -0.299   4.014  -0.658
  581    HA   LEU  54           HA       LEU  54  -0.101   4.491  -3.502
  582   1HB   LEU  54          1HB       LEU  54  -1.009   2.151  -1.803
  583   2HB   LEU  54          2HB       LEU  54  -1.180   2.257  -3.527
  584    HG   LEU  54           HG       LEU  54   1.343   2.800  -3.645
  585   1HD1  LEU  54          1HD1      LEU  54   1.731   2.884  -1.168
  586   2HD1  LEU  54          2HD1      LEU  54   1.286   1.184  -1.061
  587   3HD1  LEU  54          3HD1      LEU  54   2.722   1.682  -1.990
  588   1HD2  LEU  54          3HD2      LEU  54   0.111   0.758  -4.473
  589   2HD2  LEU  54          1HD2      LEU  54   1.812   0.561  -4.097
  590   3HD2  LEU  54          2HD2      LEU  54   0.584  -0.036  -2.957
  591    QB   LEU  54           QB       LEU  54  -1.094   2.204  -2.665
  592    QD1  LEU  54           QD1      LEU  54   1.913   1.917  -1.406
  593    QD2  LEU  54           QD2      LEU  54   0.836   0.427  -3.842
  594    QQD  LEU  54           QQD      LEU  54   1.374   1.172  -2.624
  595    H    SER  55           H        SER  55  -1.519   6.445  -2.421
  596    HA   SER  55           HA       SER  55  -3.550   6.258  -4.413
  597   1HB   SER  55          1HB       SER  55  -5.407   7.105  -3.172
  598   2HB   SER  55          2HB       SER  55  -4.910   5.551  -2.549
  599    HG   SER  55           HG       SER  55  -3.820   6.633  -0.830
  600    QB   SER  55           QB       SER  55  -5.158   6.328  -2.860
  601    H    ASP  56           H        ASP  56  -1.935   8.323  -1.828
  602    HA   ASP  56           HA       ASP  56  -2.461  10.674  -3.460
  603   1HB   ASP  56          1HB       ASP  56  -2.457  10.875  -1.069
  604   2HB   ASP  56          2HB       ASP  56  -0.791  10.282  -0.965
  605    QB   ASP  56           QB       ASP  56  -1.624  10.578  -1.017
  606    HA   PRO  57           HA       PRO  57   1.167   9.735  -5.868
  607   1HB   PRO  57          1HB       PRO  57   1.257  11.876  -7.573
  608   2HB   PRO  57          2HB       PRO  57   0.021  10.587  -7.677
  609   1HG   PRO  57          1HG       PRO  57  -0.216  13.308  -6.360
  610   2HG   PRO  57          2HG       PRO  57  -1.373  12.514  -7.473
  611   1HD   PRO  57          1HD       PRO  57  -1.670  12.438  -4.751
  612   2HD   PRO  57          2HD       PRO  57  -2.145  11.062  -5.792
  613    QB   PRO  57           QB       PRO  57   0.639  11.231  -7.625
  614    QG   PRO  57           QG       PRO  57  -0.795  12.911  -6.916
  615    QD   PRO  57           QD       PRO  57  -1.908  11.750  -5.272
  616    H    ARG  58           H        ARG  58   0.976  12.611  -3.838
  617    HA   ARG  58           HA       ARG  58   3.726  13.490  -4.501
  618   1HB   ARG  58          1HB       ARG  58   1.879  14.630  -2.389
  619   2HB   ARG  58          2HB       ARG  58   3.311  15.350  -3.092
  620   1HG   ARG  58          1HG       ARG  58   1.948  16.423  -4.512
  621   2HG   ARG  58          2HG       ARG  58   1.812  14.908  -5.376
  622   1HD   ARG  58          1HD       ARG  58  -0.412  15.381  -5.043
  623   2HD   ARG  58          2HD       ARG  58  -0.142  14.419  -3.601
  624    HE   ARG  58           HE       ARG  58  -0.392  17.368  -3.836
  625   1HH1  ARG  58          2HH2      ARG  58  -0.285  14.582  -1.615
  626   2HH1  ARG  58          1HH2      ARG  58  -0.503  15.541  -0.204
  627   1HH2  ARG  58          2HH1      ARG  58  -0.819  18.585  -2.015
  628   2HH2  ARG  58          1HH1      ARG  58  -0.785  17.884  -0.421
  629    QB   ARG  58           QB       ARG  58   2.595  14.990  -2.740
  630    QG   ARG  58           QG       ARG  58   1.880  15.666  -4.944
  631    QD   ARG  58           QD       ARG  58  -0.277  14.900  -4.322
  632    QH1  ARG  58           QH2      ARG  58  -0.394  15.061  -0.910
  633    QH2  ARG  58           QH1      ARG  58  -0.802  18.235  -1.218
  634    H    LYS  59           H        LYS  59   1.938  11.682  -2.093
  635    HA   LYS  59           HA       LYS  59   4.058  11.456  -0.157
  636   1HB   LYS  59          1HB       LYS  59   1.471  10.908  -0.089
  637   2HB   LYS  59          2HB       LYS  59   1.936   9.341  -0.726
  638   1HG   LYS  59          1HG       LYS  59   2.736  10.626   1.905
  639   2HG   LYS  59          2HG       LYS  59   1.632   9.288   1.648
  640   1HD   LYS  59          1HD       LYS  59   3.356   8.077   2.337
  641   2HD   LYS  59          2HD       LYS  59   3.829   8.141   0.635
  642   1HE   LYS  59          1HE       LYS  59   5.790   8.586   1.865
  643   2HE   LYS  59          2HE       LYS  59   5.272  10.194   1.338
  644   1HZ   LYS  59          3HZ       LYS  59   4.597   9.025   3.987
  645   2HZ   LYS  59          1HZ       LYS  59   5.903   9.992   3.724
  646   3HZ   LYS  59          2HZ       LYS  59   4.390  10.587   3.511
  647    QB   LYS  59           QB       LYS  59   1.704  10.124  -0.407
  648    QG   LYS  59           QG       LYS  59   2.184   9.957   1.777
  649    QD   LYS  59           QD       LYS  59   3.593   8.109   1.486
  650    QE   LYS  59           QE       LYS  59   5.531   9.390   1.601
  651    QZ   LYS  59           QZ       LYS  59   4.963   9.868   3.741
  652    H    ARG  60           H        ARG  60   2.949   9.475  -2.950
  653    HA   ARG  60           HA       ARG  60   5.114   7.580  -2.791
  654   1HB   ARG  60          1HB       ARG  60   3.033   8.336  -4.854
  655   2HB   ARG  60          2HB       ARG  60   4.350   7.218  -5.298
  656   1HG   ARG  60          1HG       ARG  60   3.839   5.779  -3.412
  657   2HG   ARG  60          2HG       ARG  60   2.570   6.884  -2.873
  658   1HD   ARG  60          1HD       ARG  60   2.637   5.418  -5.506
  659   2HD   ARG  60          2HD       ARG  60   1.775   4.872  -4.057
  660    HE   ARG  60           HE       ARG  60   0.698   7.271  -4.316
  661   1HH1  ARG  60          2HH2      ARG  60   1.209   4.848  -6.940
  662   2HH1  ARG  60          1HH2      ARG  60  -0.229   5.303  -7.800
  663   1HH2  ARG  60          2HH1      ARG  60  -1.169   7.895  -5.573
  664   2HH2  ARG  60          1HH1      ARG  60  -1.625   6.980  -6.945
  665    QB   ARG  60           QB       ARG  60   3.691   7.777  -5.076
  666    QG   ARG  60           QG       ARG  60   3.205   6.331  -3.143
  667    QD   ARG  60           QD       ARG  60   2.206   5.145  -4.782
  668    QH1  ARG  60           QH2      ARG  60   0.490   5.076  -7.370
  669    QH2  ARG  60           QH1      ARG  60  -1.397   7.437  -6.259
  670    H    GLU  61           H        GLU  61   4.992  10.777  -4.191
  671    HA   GLU  61           HA       GLU  61   6.776  10.765  -6.202
  672   1HB   GLU  61          1HB       GLU  61   5.619  12.718  -5.168
  673   2HB   GLU  61          2HB       GLU  61   6.799  12.703  -3.857
  674   1HG   GLU  61          1HG       GLU  61   8.610  13.183  -5.494
  675   2HG   GLU  61          2HG       GLU  61   7.406  13.214  -6.798
  676    QB   GLU  61           QB       GLU  61   6.209  12.710  -4.512
  677    QG   GLU  61           QG       GLU  61   8.008  13.198  -6.146
  678    H    ILE  62           H        ILE  62   7.672  10.495  -2.761
  679    HA   ILE  62           HA       ILE  62  10.479  10.736  -3.340
  680    HB   ILE  62           HB       ILE  62   9.035   9.661  -0.865
  681   1HG1  ILE  62          1HG1      ILE  62  10.011  12.418  -1.715
  682   2HG1  ILE  62          2HG1      ILE  62   8.383  11.926  -1.283
  683   1HG2  ILE  62          1HG2      ILE  62  11.942  10.437  -1.273
  684   2HG2  ILE  62          2HG2      ILE  62  11.204  10.099   0.318
  685   3HG2  ILE  62          3HG2      ILE  62  11.327   8.825  -0.874
  686   1HD1  ILE  62          1HD1      ILE  62   9.205  11.537   1.077
  687   2HD1  ILE  62          2HD1      ILE  62  10.736  12.311   0.588
  688   3HD1  ILE  62          3HD1      ILE  62   9.224  13.227   0.515
  689    QG1  ILE  62           QG1      ILE  62   9.197  12.172  -1.499
  690    QG2  ILE  62           QG2      ILE  62  11.491   9.787  -0.610
  691    QD1  ILE  62           QD1      ILE  62   9.722  12.358   0.727
  692    H    PHE  63           H        PHE  63   8.308   7.934  -3.170
  693    HA   PHE  63           HA       PHE  63  10.508   5.989  -3.297
  694   1HB   PHE  63          1HB       PHE  63   8.172   5.603  -2.293
  695   2HB   PHE  63          2HB       PHE  63   7.522   5.689  -3.914
  696    HD1  PHE  63          1HD       PHE  63  10.282   3.886  -2.065
  697    HD2  PHE  63          2HD       PHE  63   7.074   3.611  -4.940
  698    HE1  PHE  63          1HE       PHE  63  10.421   1.428  -1.983
  699    HE2  PHE  63          2HE       PHE  63   7.244   1.139  -4.863
  700   1HZ   PHE  63           HZ       PHE  63   8.808   0.052  -3.284
  701    QB   PHE  63           QB       PHE  63   7.847   5.646  -3.103
  702    QG   PHE  63           QD       PHE  63   8.678   3.748  -3.502
  703    QZ   PHE  63           QE       PHE  63   8.833   1.283  -3.423
  704    QZ   PHE  63           QR       PHE  63   8.766   2.023  -3.427
  705    H    ASP  64           H        ASP  64   8.272   7.674  -5.491
  706    HA   ASP  64           HA       ASP  64   8.876   6.137  -7.823
  707   1HB   ASP  64          1HB       ASP  64   6.916   7.845  -7.172
  708   2HB   ASP  64          2HB       ASP  64   7.946   9.010  -7.996
  709    QB   ASP  64           QB       ASP  64   7.431   8.427  -7.584
  710    H    ARG  65           H        ARG  65  10.098   9.306  -6.607
  711    HA   ARG  65           HA       ARG  65  11.924   9.736  -8.732
  712   1HB   ARG  65          1HB       ARG  65  12.524  11.605  -7.563
  713   2HB   ARG  65          2HB       ARG  65  10.862  11.398  -7.040
  714   1HG   ARG  65          1HG       ARG  65  11.864  10.316  -4.951
  715   2HG   ARG  65          2HG       ARG  65  13.424  10.936  -5.519
  716   1HD   ARG  65          1HD       ARG  65  12.523  13.225  -5.510
  717   2HD   ARG  65          2HD       ARG  65  10.964  12.606  -4.925
  718    HE   ARG  65           HE       ARG  65  13.189  11.762  -3.283
  719   1HH1  ARG  65          2HH2      ARG  65  11.203  14.610  -3.941
  720   2HH1  ARG  65          1HH2      ARG  65  11.396  15.315  -2.375
  721   1HH2  ARG  65          2HH1      ARG  65  13.265  12.555  -1.063
  722   2HH2  ARG  65          1HH1      ARG  65  12.678  14.138  -0.735
  723    QB   ARG  65           QB       ARG  65  11.693  11.501  -7.302
  724    QG   ARG  65           QG       ARG  65  12.644  10.626  -5.235
  725    QD   ARG  65           QD       ARG  65  11.743  12.916  -5.217
  726    QH1  ARG  65           QH2      ARG  65  11.299  14.962  -3.158
  727    QH2  ARG  65           QH1      ARG  65  12.971  13.346  -0.899
  728    H    TYR  66           H        TYR  66  12.293   8.324  -5.504
  729    HA   TYR  66           HA       TYR  66  15.064   7.445  -6.219
  730   1HB   TYR  66          1HB       TYR  66  13.883   7.888  -3.451
  731   2HB   TYR  66          2HB       TYR  66  15.514   7.340  -3.822
  732    HD1  TYR  66          1HD       TYR  66  16.093   9.356  -6.155
  733    HD2  TYR  66          2HD       TYR  66  14.498   9.804  -2.158
  734    HE1  TYR  66          1HE       TYR  66  16.914  11.651  -6.094
  735    HE2  TYR  66          2HE       TYR  66  15.414  12.095  -2.059
  736    HH   TYR  66           HH       TYR  66  17.029  13.628  -4.852
  737    QB   TYR  66           QB       TYR  66  14.699   7.614  -3.636
  738    QG   TYR  66           QD       TYR  66  15.295   9.580  -4.157
  739    QZ   TYR  66           QE       TYR  66  16.164  11.873  -4.076
  740    QR   TYR  66           QR       TYR  66  15.730  10.727  -4.116
  741    H    GLY  67           H        GLY  67  13.158   6.129  -3.571
  742   1HA   GLY  67          1HA       GLY  67  11.919   3.925  -4.053
  743   2HA   GLY  67          2HA       GLY  67  13.466   3.449  -4.775
  744    QA   GLY  67           QA       GLY  67  12.692   3.687  -4.414
  745    H    GLU  68           H        GLU  68  14.766   2.309  -3.317
  746    HA   GLU  68           HA       GLU  68  14.450   2.418  -0.490
  747   1HB   GLU  68          1HB       GLU  68  16.445   1.193  -2.449
  748   2HB   GLU  68          2HB       GLU  68  16.651   1.107  -0.706
  749   1HG   GLU  68          1HG       GLU  68  15.650  -0.949  -1.416
  750   2HG   GLU  68          2HG       GLU  68  14.456  -0.043  -0.484
  751    QB   GLU  68           QB       GLU  68  16.548   1.150  -1.577
  752    QG   GLU  68           QG       GLU  68  15.053  -0.496  -0.950
  753    H    GLU  69           H        GLU  69  16.252   2.934   0.770
  754    HA   GLU  69           HA       GLU  69  17.288   4.476   1.979
  755   1HB   GLU  69          1HB       GLU  69  18.995   4.008   0.176
  756   2HB   GLU  69          2HB       GLU  69  18.503   5.511  -0.585
  757   1HG   GLU  69          1HG       GLU  69  19.621   5.152   2.232
  758   2HG   GLU  69          2HG       GLU  69  20.554   5.627   0.823
  759    QB   GLU  69           QB       GLU  69  18.749   4.760  -0.204
  760    QG   GLU  69           QG       GLU  69  20.088   5.389   1.528
  761    H    GLY  70           H        GLY  70  16.164   6.002  -1.018
  762   1HA   GLY  70          1HA       GLY  70  15.340   8.544  -0.367
  763   2HA   GLY  70          2HA       GLY  70  14.499   7.454  -1.452
  764    QA   GLY  70           QA       GLY  70  14.919   7.999  -0.909
  765    H    LEU  71           H        LEU  71  13.318   5.601  -0.062
  766    HA   LEU  71           HA       LEU  71  11.111   7.009   1.048
  767   1HB   LEU  71          1HB       LEU  71  11.034   4.909  -0.304
  768   2HB   LEU  71          2HB       LEU  71  11.723   4.026   1.049
  769    HG   LEU  71           HG       LEU  71   9.696   4.580   2.411
  770   1HD1  LEU  71          2HD1      LEU  71   8.891   5.984  -0.170
  771   2HD1  LEU  71          3HD1      LEU  71   7.695   5.477   1.015
  772   3HD1  LEU  71          1HD1      LEU  71   8.922   6.661   1.467
  773   1HD2  LEU  71          1HD2      LEU  71   9.926   2.517   0.843
  774   2HD2  LEU  71          2HD2      LEU  71   8.351   2.914   1.507
  775   3HD2  LEU  71          3HD2      LEU  71   8.735   3.342  -0.171
  776    QB   LEU  71           QB       LEU  71  11.378   4.467   0.373
  777    QD1  LEU  71           QD1      LEU  71   8.503   6.041   0.771
  778    QD2  LEU  71           QD2      LEU  71   9.004   2.924   0.726
  779    QQD  LEU  71           QQD      LEU  71   8.753   4.482   0.748
  780    H    LYS  72           H        LYS  72  10.158   6.802   3.102
  781    HA   LYS  72           HA       LYS  72  11.984   7.225   5.240
  782   1HB   LYS  72          1HB       LYS  72   9.800   8.478   4.751
  783   2HB   LYS  72          2HB       LYS  72   8.934   7.064   5.338
  784   1HG   LYS  72          1HG       LYS  72   9.040   8.421   7.247
  785   2HG   LYS  72          2HG       LYS  72  10.392   7.325   7.499
  786   1HD   LYS  72          1HD       LYS  72  11.377   9.383   7.972
  787   2HD   LYS  72          2HD       LYS  72  11.830   9.173   6.295
  788   1HE   LYS  72          1HE       LYS  72  11.067  11.392   6.411
  789   2HE   LYS  72          2HE       LYS  72   9.728  10.515   5.671
  790   1HZ   LYS  72          1HZ       LYS  72   9.375  10.502   8.458
  791   2HZ   LYS  72          2HZ       LYS  72   9.724  12.034   8.030
  792   3HZ   LYS  72          3HZ       LYS  72   8.450  11.255   7.329
  793    QB   LYS  72           QB       LYS  72   9.367   7.771   5.044
  794    QG   LYS  72           QG       LYS  72   9.716   7.873   7.373
  795    QD   LYS  72           QD       LYS  72  11.603   9.278   7.133
  796    QE   LYS  72           QE       LYS  72  10.397  10.953   6.041
  797    QZ   LYS  72           QZ       LYS  72   9.183  11.263   7.939
  798    H    GLY  73           H        GLY  73  12.955   5.152   5.220
  799   1HA   GLY  73          1HA       GLY  73  13.171   3.721   7.312
  800   2HA   GLY  73          2HA       GLY  73  11.513   3.209   7.001
  801    QA   GLY  73           QA       GLY  73  12.342   3.465   7.157
  802    H    SER  74           H        SER  74  13.830   3.560   4.327
  803    HA   SER  74           HA       SER  74  13.689   0.607   3.940
  804   1HB   SER  74          1HB       SER  74  13.399   2.867   1.935
  805   2HB   SER  74          2HB       SER  74  13.615   1.160   1.497
  806    HG   SER  74           HG       SER  74  11.488   2.146   3.142
  807    QB   SER  74           QB       SER  74  13.507   2.014   1.716
  808    H    GLY  75           H        GLY  75  15.748   1.249   5.381
  809   1HA   GLY  75          1HA       GLY  75  18.117   1.436   3.565
  810   2HA   GLY  75          2HA       GLY  75  18.119   1.666   5.315
  811    QA   GLY  75           QA       GLY  75  18.118   1.551   4.440
  812    H    CYS  76           H        CYS  76  18.262  -0.072   6.628
  813    HA   CYS  76           HA       CYS  76  18.878  -2.101   7.390
  814   1HB   CYS  76          1HB       CYS  76  17.240  -3.195   5.644
  815   2HB   CYS  76          2HB       CYS  76  18.723  -3.428   4.688
  816    HG   CYS  76           HG       CYS  76  20.071  -4.565   6.727
  817    QB   CYS  76           QB       CYS  76  17.981  -3.311   5.166
   
  No H/Q in entry =         817
  Start of MODEL   16
    1    H    MET   0           H        MET   0  10.429   5.323   8.348
    2    HA   MET   0           HA       MET   0   9.465   2.618   8.977
    3   1HB   MET   0          1HB       MET   0   7.304   3.453   9.552
    4   2HB   MET   0          2HB       MET   0   8.518   4.215  10.563
    5   1HG   MET   0          1HG       MET   0   7.260   5.514   8.110
    6   2HG   MET   0          2HG       MET   0   6.699   5.730   9.763
    7   1HE   MET   0          1HE       MET   0   7.317   8.014   7.757
    8   2HE   MET   0          2HE       MET   0   6.763   8.351   9.418
    9   3HE   MET   0          3HE       MET   0   8.185   9.188   8.763
   10    QB   MET   0           QB       MET   0   7.911   3.834  10.058
   11    QG   MET   0           QG       MET   0   6.979   5.622   8.936
   12    QE   MET   0           QE       MET   0   7.421   8.518   8.646
   13    H    GLY   1           H        GLY   1  10.143   4.572   6.305
   14   1HA   GLY   1          1HA       GLY   1   8.022   4.004   4.571
   15   2HA   GLY   1          2HA       GLY   1   9.669   4.468   4.170
   16    QA   GLY   1           QA       GLY   1   8.846   4.236   4.371
   17    H    LYS   2           H        LYS   2   8.941   1.483   5.955
   18    HA   LYS   2           HA       LYS   2  10.485  -0.142   4.205
   19   1HB   LYS   2          1HB       LYS   2  10.105  -0.544   6.575
   20   2HB   LYS   2          2HB       LYS   2   8.412  -0.862   6.319
   21   1HG   LYS   2          1HG       LYS   2  10.587  -2.513   4.954
   22   2HG   LYS   2          2HG       LYS   2  10.188  -2.787   6.643
   23   1HD   LYS   2          1HD       LYS   2   8.267  -3.122   4.312
   24   2HD   LYS   2          2HD       LYS   2   9.043  -4.397   5.250
   25   1HE   LYS   2          1HE       LYS   2   7.903  -3.724   7.286
   26   2HE   LYS   2          2HE       LYS   2   7.131  -2.375   6.436
   27   1HZ   LYS   2          1HZ       LYS   2   6.029  -3.948   5.012
   28   2HZ   LYS   2          2HZ       LYS   2   6.686  -5.225   5.830
   29   3HZ   LYS   2          3HZ       LYS   2   5.646  -4.196   6.594
   30    QB   LYS   2           QB       LYS   2   9.259  -0.703   6.447
   31    QG   LYS   2           QG       LYS   2  10.387  -2.650   5.798
   32    QD   LYS   2           QD       LYS   2   8.655  -3.760   4.781
   33    QE   LYS   2           QE       LYS   2   7.517  -3.049   6.861
   34    QZ   LYS   2           QZ       LYS   2   6.120  -4.456   5.812
   35    H    ASP   3           H        ASP   3   9.847   0.111   2.140
   36    HA   ASP   3           HA       ASP   3   8.826  -0.376   0.178
   37   1HB   ASP   3          1HB       ASP   3   9.969  -2.273   0.555
   38   2HB   ASP   3          2HB       ASP   3   8.852  -2.880   1.775
   39    QB   ASP   3           QB       ASP   3   9.410  -2.576   1.165
   40    H    TYR   4           H        TYR   4   7.211   1.189   0.534
   41    HA   TYR   4           HA       TYR   4   4.450   0.301   0.891
   42   1HB   TYR   4          1HB       TYR   4   5.607   2.948  -0.044
   43   2HB   TYR   4          2HB       TYR   4   3.929   2.635   0.385
   44    HD1  TYR   4          1HD       TYR   4   4.958   0.813   2.969
   45    HD2  TYR   4          2HD       TYR   4   5.575   4.840   1.519
   46    HE1  TYR   4          1HE       TYR   4   5.229   1.594   5.269
   47    HE2  TYR   4          2HE       TYR   4   5.737   5.639   3.872
   48    HH   TYR   4           HH       TYR   4   6.102   3.468   6.537
   49    QB   TYR   4           QB       TYR   4   4.768   2.791   0.171
   50    QG   TYR   4           QD       TYR   4   5.267   2.826   2.244
   51    QZ   TYR   4           QE       TYR   4   5.483   3.617   4.571
   52    QR   TYR   4           QR       TYR   4   5.375   3.222   3.407
   53    H    TYR   5           H        TYR   5   5.774  -1.260  -1.158
   54    HA   TYR   5           HA       TYR   5   3.743  -0.805  -3.229
   55   1HB   TYR   5          1HB       TYR   5   6.632  -1.785  -3.363
   56   2HB   TYR   5          2HB       TYR   5   5.422  -2.315  -4.471
   57    HD1  TYR   5          2HD       TYR   5   4.015  -0.304  -5.652
   58    HD2  TYR   5          1HD       TYR   5   7.962   0.043  -3.941
   59    HE1  TYR   5          2HE       TYR   5   4.421   1.718  -7.012
   60    HE2  TYR   5          1HE       TYR   5   8.392   2.039  -5.340
   61    HH   TYR   5           HH       TYR   5   7.546   3.136  -7.427
   62    QB   TYR   5           QB       TYR   5   6.027  -2.050  -3.917
   63    QG   TYR   5           QD       TYR   5   5.989  -0.131  -4.796
   64    QZ   TYR   5           QE       TYR   5   6.406   1.879  -6.176
   65    QR   TYR   5           QR       TYR   5   6.198   0.874  -5.486
   66    H    GLN   6           H        GLN   6   6.063  -3.297  -1.862
   67    HA   GLN   6           HA       GLN   6   4.108  -5.326  -2.407
   68   1HB   GLN   6          1HB       GLN   6   6.728  -5.383  -2.442
   69   2HB   GLN   6          2HB       GLN   6   6.544  -5.872  -0.744
   70   1HG   GLN   6          1HG       GLN   6   5.388  -7.846  -1.268
   71   2HG   GLN   6          2HG       GLN   6   5.037  -7.307  -2.918
   72   1HE2  GLN   6          2HE2      GLN   6   8.821  -8.810  -2.166
   73   2HE2  GLN   6          1HE2      GLN   6   7.913  -8.237  -0.785
   74    QB   GLN   6           QB       GLN   6   6.636  -5.628  -1.593
   75    QG   GLN   6           QG       GLN   6   5.213  -7.577  -2.093
   76    QE2  GLN   6           QE2      GLN   6   8.367  -8.523  -1.476
   77    H    THR   7           H        THR   7   4.883  -3.520   0.547
   78    HA   THR   7           HA       THR   7   3.445  -5.337   2.294
   79    HB   THR   7           HB       THR   7   4.106  -2.387   2.430
   80    HG1  THR   7          1HG       THR   7   5.141  -4.849   3.389
   81   1HG2  THR   7          2HG2      THR   7   3.045  -4.142   4.699
   82   2HG2  THR   7          3HG2      THR   7   3.757  -2.521   4.893
   83   3HG2  THR   7          1HG2      THR   7   2.247  -2.711   4.004
   84    QG2  THR   7           QG2      THR   7   3.016  -3.125   4.532
   85    H    LEU   8           H        LEU   8   2.384  -3.142  -0.135
   86    HA   LEU   8           HA       LEU   8  -0.434  -3.708   0.647
   87   1HB   LEU   8          1HB       LEU   8   0.456  -1.354   0.206
   88   2HB   LEU   8          2HB       LEU   8   0.482  -1.769  -1.487
   89    HG   LEU   8           HG       LEU   8  -1.419  -0.394  -0.643
   90   1HD1  LEU   8          1HD1      LEU   8  -1.575  -1.961  -2.711
   91   2HD1  LEU   8          2HD1      LEU   8  -2.775  -2.808  -1.740
   92   3HD1  LEU   8          3HD1      LEU   8  -2.978  -1.087  -2.108
   93   1HD2  LEU   8          2HD2      LEU   8  -1.827  -1.414   1.513
   94   2HD2  LEU   8          3HD2      LEU   8  -3.299  -1.367   0.520
   95   3HD2  LEU   8          1HD2      LEU   8  -2.434  -2.894   0.730
   96    QB   LEU   8           QB       LEU   8   0.469  -1.562  -0.641
   97    QD1  LEU   8           QD1      LEU   8  -2.443  -1.952  -2.186
   98    QD2  LEU   8           QD2      LEU   8  -2.520  -1.892   0.921
   99    QQD  LEU   8           QQD      LEU   8  -2.481  -1.922  -0.633
  100    H    GLY   9           H        GLY   9   1.893  -5.334  -0.859
  101   1HA   GLY   9          1HA       GLY   9   1.692  -7.313  -1.983
  102   2HA   GLY   9          2HA       GLY   9  -0.035  -7.010  -2.189
  103    QA   GLY   9           QA       GLY   9   0.829  -7.161  -2.086
  104    H    LEU  10           H        LEU  10   2.335  -4.655  -3.358
  105    HA   LEU  10           HA       LEU  10   1.461  -5.271  -6.140
  106   1HB   LEU  10          1HB       LEU  10   2.402  -2.778  -4.689
  107   2HB   LEU  10          2HB       LEU  10   2.269  -2.832  -6.432
  108    HG   LEU  10           HG       LEU  10  -0.138  -3.742  -4.835
  109   1HD1  LEU  10          1HD1      LEU  10   0.749  -0.879  -5.234
  110   2HD1  LEU  10          2HD1      LEU  10  -0.905  -1.377  -4.769
  111   3HD1  LEU  10          3HD1      LEU  10   0.475  -1.731  -3.708
  112   1HD2  LEU  10          3HD2      LEU  10   0.001  -3.879  -7.353
  113   2HD2  LEU  10          1HD2      LEU  10  -1.321  -2.875  -6.758
  114   3HD2  LEU  10          2HD2      LEU  10   0.138  -2.112  -7.383
  115    QB   LEU  10           QB       LEU  10   2.335  -2.805  -5.560
  116    QD1  LEU  10           QD1      LEU  10   0.106  -1.329  -4.571
  117    QD2  LEU  10           QD2      LEU  10  -0.394  -2.955  -7.164
  118    QQD  LEU  10           QQD      LEU  10  -0.144  -2.142  -5.868
  119    H    ALA  11           H        ALA  11   2.989  -4.664  -7.810
  120    HA   ALA  11           HA       ALA  11   5.736  -5.590  -7.415
  121   1HB   ALA  11          3HB       ALA  11   4.334  -4.144  -9.727
  122   2HB   ALA  11          1HB       ALA  11   5.965  -4.828  -9.787
  123   3HB   ALA  11          2HB       ALA  11   4.570  -5.907  -9.593
  124    QB   ALA  11           QB       ALA  11   4.956  -4.959  -9.702
  125    H    ARG  12           H        ARG  12   7.472  -4.107  -8.098
  126    HA   ARG  12           HA       ARG  12   7.381  -1.448  -6.902
  127   1HB   ARG  12          1HB       ARG  12   9.382  -2.934  -8.678
  128   2HB   ARG  12          2HB       ARG  12   9.559  -1.229  -8.276
  129   1HG   ARG  12          1HG       ARG  12  10.915  -2.393  -6.765
  130   2HG   ARG  12          2HG       ARG  12   9.533  -1.790  -5.848
  131   1HD   ARG  12          1HD       ARG  12   8.516  -4.023  -5.834
  132   2HD   ARG  12          2HD       ARG  12   9.825  -4.665  -6.836
  133    HE   ARG  12           HE       ARG  12   9.776  -4.268  -4.000
  134   1HH1  ARG  12          2HH2      ARG  12  12.068  -4.459  -6.713
  135   2HH1  ARG  12          1HH2      ARG  12  13.461  -4.431  -5.679
  136   1HH2  ARG  12          2HH1      ARG  12  11.514  -4.477  -2.697
  137   2HH2  ARG  12          1HH1      ARG  12  13.105  -4.798  -3.344
  138    QB   ARG  12           QB       ARG  12   9.471  -2.082  -8.477
  139    QG   ARG  12           QG       ARG  12  10.224  -2.091  -6.306
  140    QD   ARG  12           QD       ARG  12   9.171  -4.344  -6.335
  141    QH1  ARG  12           QH2      ARG  12  12.764  -4.445  -6.196
  142    QH2  ARG  12           QH1      ARG  12  12.310  -4.638  -3.021
  143    H    GLY  13           H        GLY  13   6.421   0.179  -7.783
  144   1HA   GLY  13          1HA       GLY  13   6.177   1.875  -9.433
  145   2HA   GLY  13          2HA       GLY  13   6.442   0.687 -10.715
  146    QA   GLY  13           QA       GLY  13   6.310   1.281 -10.074
  147    H    ALA  14           H        ALA  14   4.829  -1.328 -10.200
  148    HA   ALA  14           HA       ALA  14   2.710  -2.046 -10.795
  149   1HB   ALA  14          2HB       ALA  14   2.377  -1.598  -8.382
  150   2HB   ALA  14          3HB       ALA  14   1.764   0.019  -8.790
  151   3HB   ALA  14          1HB       ALA  14   0.900  -1.419  -9.349
  152    QB   ALA  14           QB       ALA  14   1.680  -0.999  -8.840
  153    H    SER  15           H        SER  15   0.307  -1.009 -11.258
  154    HA   SER  15           HA       SER  15   0.586   1.506 -12.778
  155   1HB   SER  15          1HB       SER  15  -1.179   0.823 -14.287
  156   2HB   SER  15          2HB       SER  15   0.067  -0.432 -14.356
  157    HG   SER  15           HG       SER  15  -1.995  -1.342 -14.186
  158    QB   SER  15           QB       SER  15  -0.556   0.195 -14.322
  159    H    ASP  16           H        ASP  16  -1.422   2.797 -12.592
  160    HA   ASP  16           HA       ASP  16  -2.007   2.963  -9.838
  161   1HB   ASP  16          1HB       ASP  16  -2.020   4.888 -11.429
  162   2HB   ASP  16          2HB       ASP  16  -3.514   4.270 -12.131
  163    QB   ASP  16           QB       ASP  16  -2.767   4.579 -11.780
  164    H    GLU  17           H        GLU  17  -3.433   1.159 -12.399
  165    HA   GLU  17           HA       GLU  17  -6.061   0.751 -11.127
  166   1HB   GLU  17          1HB       GLU  17  -5.700   1.028 -13.603
  167   2HB   GLU  17          2HB       GLU  17  -4.874  -0.535 -13.623
  168   1HG   GLU  17          1HG       GLU  17  -6.880  -1.700 -12.950
  169   2HG   GLU  17          2HG       GLU  17  -7.679  -0.191 -12.485
  170    QB   GLU  17           QB       GLU  17  -5.287   0.247 -13.613
  171    QG   GLU  17           QG       GLU  17  -7.279  -0.945 -12.717
  172    H    GLU  18           H        GLU  18  -2.842  -0.767 -11.200
  173    HA   GLU  18           HA       GLU  18  -3.834  -3.302 -10.159
  174   1HB   GLU  18          1HB       GLU  18  -1.325  -2.361 -11.233
  175   2HB   GLU  18          2HB       GLU  18  -1.053  -2.614  -9.535
  176   1HG   GLU  18          1HG       GLU  18  -2.161  -4.661 -11.490
  177   2HG   GLU  18          2HG       GLU  18  -0.539  -4.629 -10.806
  178    QB   GLU  18           QB       GLU  18  -1.189  -2.487 -10.384
  179    QG   GLU  18           QG       GLU  18  -1.350  -4.645 -11.148
  180    H    ILE  19           H        ILE  19  -2.508  -0.139  -9.159
  181    HA   ILE  19           HA       ILE  19  -2.264  -0.734  -6.453
  182    HB   ILE  19           HB       ILE  19  -2.254   1.721  -8.134
  183   1HG1  ILE  19          1HG1      ILE  19  -0.520   0.805  -5.824
  184   2HG1  ILE  19          2HG1      ILE  19  -0.338   0.153  -7.457
  185   1HG2  ILE  19          1HG2      ILE  19  -2.644   1.914  -5.132
  186   2HG2  ILE  19          2HG2      ILE  19  -2.090   3.256  -6.165
  187   3HG2  ILE  19          3HG2      ILE  19  -3.700   2.596  -6.383
  188   1HD1  ILE  19          1HD1      ILE  19   0.252   2.382  -8.297
  189   2HD1  ILE  19          2HD1      ILE  19   0.139   3.022  -6.630
  190   3HD1  ILE  19          3HD1      ILE  19   1.351   1.798  -7.027
  191    QG1  ILE  19           QG1      ILE  19  -0.429   0.479  -6.641
  192    QG2  ILE  19           QG2      ILE  19  -2.812   2.589  -5.894
  193    QD1  ILE  19           QD1      ILE  19   0.581   2.400  -7.318
  194    H    LYS  20           H        LYS  20  -5.035   0.957  -8.054
  195    HA   LYS  20           HA       LYS  20  -6.599   0.852  -5.705
  196   1HB   LYS  20          1HB       LYS  20  -6.991   2.156  -7.913
  197   2HB   LYS  20          2HB       LYS  20  -7.888   0.723  -8.448
  198   1HG   LYS  20          1HG       LYS  20  -9.354   0.930  -6.412
  199   2HG   LYS  20          2HG       LYS  20  -8.373   2.304  -5.882
  200   1HD   LYS  20          1HD       LYS  20 -10.162   3.392  -6.832
  201   2HD   LYS  20          2HD       LYS  20  -8.996   3.402  -8.142
  202   1HE   LYS  20          1HE       LYS  20 -10.918   2.768  -9.253
  203   2HE   LYS  20          2HE       LYS  20 -10.221   1.185  -8.904
  204   1HZ   LYS  20          2HZ       LYS  20 -12.326   2.561  -7.327
  205   2HZ   LYS  20          3HZ       LYS  20 -12.585   1.386  -8.416
  206   3HZ   LYS  20          1HZ       LYS  20 -11.751   1.012  -7.042
  207    QB   LYS  20           QB       LYS  20  -7.439   1.439  -8.181
  208    QG   LYS  20           QG       LYS  20  -8.863   1.617  -6.147
  209    QD   LYS  20           QD       LYS  20  -9.579   3.397  -7.487
  210    QE   LYS  20           QE       LYS  20 -10.569   1.976  -9.078
  211    QZ   LYS  20           QZ       LYS  20 -12.221   1.653  -7.595
  212    H    ARG  21           H        ARG  21  -6.144  -1.690  -8.195
  213    HA   ARG  21           HA       ARG  21  -8.261  -3.384  -7.263
  214   1HB   ARG  21          1HB       ARG  21  -6.957  -3.603  -9.424
  215   2HB   ARG  21          2HB       ARG  21  -5.605  -4.251  -8.522
  216   1HG   ARG  21          1HG       ARG  21  -6.957  -6.173  -7.783
  217   2HG   ARG  21          2HG       ARG  21  -8.418  -5.435  -8.449
  218   1HD   ARG  21          1HD       ARG  21  -7.742  -7.146  -9.951
  219   2HD   ARG  21          2HD       ARG  21  -7.428  -5.600 -10.749
  220    HE   ARG  21           HE       ARG  21  -5.007  -5.920  -9.890
  221   1HH1  ARG  21          2HH2      ARG  21  -7.008  -8.514 -11.242
  222   2HH1  ARG  21          1HH2      ARG  21  -5.696  -9.645 -11.324
  223   1HH2  ARG  21          2HH1      ARG  21  -3.338  -7.208 -10.248
  224   2HH2  ARG  21          1HH1      ARG  21  -3.450  -8.754 -11.065
  225    QB   ARG  21           QB       ARG  21  -6.281  -3.927  -8.973
  226    QG   ARG  21           QG       ARG  21  -7.687  -5.804  -8.116
  227    QD   ARG  21           QD       ARG  21  -7.585  -6.373 -10.350
  228    QH1  ARG  21           QH2      ARG  21  -6.352  -9.080 -11.283
  229    QH2  ARG  21           QH1      ARG  21  -3.394  -7.981 -10.657
  230    H    ALA  22           H        ALA  22  -4.825  -3.315  -6.563
  231    HA   ALA  22           HA       ALA  22  -4.582  -5.196  -4.516
  232   1HB   ALA  22          1HB       ALA  22  -2.689  -4.238  -5.600
  233   2HB   ALA  22          2HB       ALA  22  -3.003  -2.654  -4.849
  234   3HB   ALA  22          3HB       ALA  22  -2.576  -4.055  -3.846
  235    QB   ALA  22           QB       ALA  22  -2.756  -3.649  -4.765
  236    H    TYR  23           H        TYR  23  -5.054  -1.573  -3.966
  237    HA   TYR  23           HA       TYR  23  -5.331  -1.815  -1.202
  238   1HB   TYR  23          1HB       TYR  23  -4.886   0.289  -1.680
  239   2HB   TYR  23          2HB       TYR  23  -5.335   0.154  -3.342
  240    HD1  TYR  23          1HD       TYR  23  -8.069   0.025  -3.675
  241    HD2  TYR  23          2HD       TYR  23  -5.770   2.241  -0.773
  242    HE1  TYR  23          1HE       TYR  23  -9.730   1.797  -3.770
  243    HE2  TYR  23          2HE       TYR  23  -7.450   4.057  -0.892
  244    HH   TYR  23           HH       TYR  23  -9.136   4.959  -2.461
  245    QB   TYR  23           QB       TYR  23  -5.111   0.222  -2.511
  246    QG   TYR  23           QD       TYR  23  -6.920   1.133  -2.224
  247    QZ   TYR  23           QE       TYR  23  -8.590   2.927  -2.331
  248    QR   TYR  23           QR       TYR  23  -7.755   2.030  -2.278
  249    H    ARG  24           H        ARG  24  -7.824  -2.177  -3.745
  250    HA   ARG  24           HA       ARG  24  -9.993  -2.245  -1.858
  251   1HB   ARG  24          1HB       ARG  24 -10.222  -1.914  -4.361
  252   2HB   ARG  24          2HB       ARG  24  -9.800  -3.610  -4.587
  253   1HG   ARG  24          1HG       ARG  24 -12.138  -3.594  -4.656
  254   2HG   ARG  24          2HG       ARG  24 -11.785  -4.148  -3.013
  255   1HD   ARG  24          1HD       ARG  24 -12.053  -1.680  -2.311
  256   2HD   ARG  24          2HD       ARG  24 -12.685  -1.385  -3.927
  257    HE   ARG  24           HE       ARG  24 -14.557  -2.790  -3.484
  258   1HH1  ARG  24          2HH2      ARG  24 -12.626  -2.188  -0.557
  259   2HH1  ARG  24          1HH2      ARG  24 -13.820  -2.783   0.517
  260   1HH2  ARG  24          2HH1      ARG  24 -16.111  -3.533  -2.106
  261   2HH2  ARG  24          1HH1      ARG  24 -15.849  -3.648  -0.368
  262    QB   ARG  24           QB       ARG  24 -10.011  -2.762  -4.474
  263    QG   ARG  24           QG       ARG  24 -11.962  -3.871  -3.835
  264    QD   ARG  24           QD       ARG  24 -12.369  -1.532  -3.119
  265    QH1  ARG  24           QH2      ARG  24 -13.223  -2.485  -0.020
  266    QH2  ARG  24           QH1      ARG  24 -15.980  -3.591  -1.237
  267    H    ARG  25           H        ARG  25  -8.277  -4.947  -3.547
  268    HA   ARG  25           HA       ARG  25  -9.576  -6.940  -1.957
  269   1HB   ARG  25          1HB       ARG  25  -8.252  -8.526  -3.084
  270   2HB   ARG  25          2HB       ARG  25  -8.561  -7.244  -4.259
  271   1HG   ARG  25          1HG       ARG  25  -6.310  -6.332  -3.894
  272   2HG   ARG  25          2HG       ARG  25  -5.961  -7.566  -2.677
  273   1HD   ARG  25          1HD       ARG  25  -6.382  -9.313  -4.431
  274   2HD   ARG  25          2HD       ARG  25  -6.575  -8.017  -5.613
  275    HE   ARG  25           HE       ARG  25  -4.343  -7.650  -5.667
  276   1HH1  ARG  25          2HH2      ARG  25  -4.909  -9.905  -2.909
  277   2HH1  ARG  25          1HH2      ARG  25  -3.375 -10.702  -3.220
  278   1HH2  ARG  25          2HH1      ARG  25  -2.164  -8.499  -5.609
  279   2HH2  ARG  25          1HH1      ARG  25  -1.892  -9.945  -4.668
  280    QB   ARG  25           QB       ARG  25  -8.406  -7.885  -3.672
  281    QG   ARG  25           QG       ARG  25  -6.135  -6.949  -3.286
  282    QD   ARG  25           QD       ARG  25  -6.478  -8.665  -5.022
  283    QH1  ARG  25           QH2      ARG  25  -4.142 -10.303  -3.064
  284    QH2  ARG  25           QH1      ARG  25  -2.028  -9.222  -5.139
  285    H    GLN  26           H        GLN  26  -6.922  -4.918  -1.132
  286    HA   GLN  26           HA       GLN  26  -5.740  -6.777   0.764
  287   1HB   GLN  26          1HB       GLN  26  -5.240  -3.914  -0.103
  288   2HB   GLN  26          2HB       GLN  26  -4.461  -4.489   1.326
  289   1HG   GLN  26          1HG       GLN  26  -4.251  -5.896  -1.376
  290   2HG   GLN  26          2HG       GLN  26  -3.118  -4.706  -0.741
  291   1HE2  GLN  26          2HE2      GLN  26  -1.182  -7.449   0.281
  292   2HE2  GLN  26          1HE2      GLN  26  -1.421  -6.131  -0.891
  293    QB   GLN  26           QB       GLN  26  -4.851  -4.202   0.611
  294    QG   GLN  26           QG       GLN  26  -3.685  -5.301  -1.058
  295    QE2  GLN  26           QE2      GLN  26  -1.301  -6.790  -0.305
  296    H    ALA  27           H        ALA  27  -7.748  -3.795   0.954
  297    HA   ALA  27           HA       ALA  27  -8.130  -3.934   3.799
  298   1HB   ALA  27          3HB       ALA  27  -9.970  -2.972   1.553
  299   2HB   ALA  27          1HB       ALA  27 -10.321  -2.802   3.286
  300   3HB   ALA  27          2HB       ALA  27  -8.910  -1.989   2.601
  301    QB   ALA  27           QB       ALA  27  -9.734  -2.587   2.480
  302    H    LEU  28           H        LEU  28  -9.909  -5.357   1.009
  303    HA   LEU  28           HA       LEU  28 -11.497  -7.116   2.662
  304   1HB   LEU  28          1HB       LEU  28 -11.521  -6.188  -0.027
  305   2HB   LEU  28          2HB       LEU  28 -11.190  -7.890  -0.187
  306    HG   LEU  28           HG       LEU  28 -13.547  -7.433  -0.370
  307   1HD1  LEU  28          2HD1      LEU  28 -12.941  -9.565   0.728
  308   2HD1  LEU  28          3HD1      LEU  28 -13.127  -8.786   2.319
  309   3HD1  LEU  28          1HD1      LEU  28 -14.523  -8.936   1.227
  310   1HD2  LEU  28          1HD2      LEU  28 -13.586  -5.333   0.941
  311   2HD2  LEU  28          2HD2      LEU  28 -14.896  -6.444   1.356
  312   3HD2  LEU  28          3HD2      LEU  28 -13.516  -6.273   2.449
  313    QB   LEU  28           QB       LEU  28 -11.355  -7.039  -0.107
  314    QD1  LEU  28           QD1      LEU  28 -13.530  -9.096   1.424
  315    QD2  LEU  28           QD2      LEU  28 -14.000  -6.017   1.582
  316    QQD  LEU  28           QQD      LEU  28 -13.765  -7.556   1.503
  317    H    ARG  29           H        ARG  29  -8.273  -7.356   2.445
  318    HA   ARG  29           HA       ARG  29  -8.378 -10.298   2.680
  319   1HB   ARG  29          1HB       ARG  29  -6.606  -9.669   1.158
  320   2HB   ARG  29          2HB       ARG  29  -6.012  -8.434   2.261
  321   1HG   ARG  29          1HG       ARG  29  -4.552 -10.339   2.344
  322   2HG   ARG  29          2HG       ARG  29  -5.397 -10.164   3.889
  323   1HD   ARG  29          1HD       ARG  29  -7.011 -11.938   3.160
  324   2HD   ARG  29          2HD       ARG  29  -6.104 -12.129   1.658
  325    HE   ARG  29           HE       ARG  29  -4.176 -12.472   3.588
  326   1HH1  ARG  29          2HH2      ARG  29  -7.277 -14.116   2.881
  327   2HH1  ARG  29          1HH2      ARG  29  -6.657 -15.673   3.294
  328   1HH2  ARG  29          2HH1      ARG  29  -3.712 -14.379   4.797
  329   2HH2  ARG  29          1HH1      ARG  29  -4.663 -15.799   4.502
  330    QB   ARG  29           QB       ARG  29  -6.309  -9.051   1.709
  331    QG   ARG  29           QG       ARG  29  -4.975 -10.252   3.116
  332    QD   ARG  29           QD       ARG  29  -6.558 -12.034   2.409
  333    QH1  ARG  29           QH2      ARG  29  -6.967 -14.895   3.088
  334    QH2  ARG  29           QH1      ARG  29  -4.188 -15.089   4.649
  335    H    TYR  30           H        TYR  30  -6.751  -7.503   4.166
  336    HA   TYR  30           HA       TYR  30  -6.472  -8.985   6.597
  337   1HB   TYR  30          1HB       TYR  30  -5.649  -6.239   5.570
  338   2HB   TYR  30          2HB       TYR  30  -5.273  -6.764   7.203
  339    HD1  TYR  30          2HD       TYR  30  -3.806  -8.542   7.677
  340    HD2  TYR  30          1HD       TYR  30  -4.394  -7.292   3.621
  341    HE1  TYR  30          2HE       TYR  30  -1.783  -9.840   7.018
  342    HE2  TYR  30          1HE       TYR  30  -2.362  -8.519   2.947
  343    HH   TYR  30           HH       TYR  30  -0.288  -9.358   3.936
  344    QB   TYR  30           QB       TYR  30  -5.461  -6.502   6.387
  345    QG   TYR  30           QD       TYR  30  -4.100  -7.917   5.649
  346    QZ   TYR  30           QE       TYR  30  -2.073  -9.179   4.983
  347    QR   TYR  30           QR       TYR  30  -3.086  -8.548   5.316
  348    H    HIS  31           H        HIS  31  -9.173  -7.337   5.632
  349    HA   HIS  31           HA       HIS  31 -10.114  -5.783   7.706
  350   1HB   HIS  31          1HB       HIS  31 -11.200  -7.180   5.463
  351   2HB   HIS  31          2HB       HIS  31 -12.038  -7.827   6.841
  352    HD1  HIS  31          1HD       HIS  31 -14.130  -6.585   7.592
  353    HD2  HIS  31          2HD       HIS  31 -11.484  -4.485   5.133
  354    HE1  HIS  31          1HE       HIS  31 -15.216  -4.394   7.234
  355    QB   HIS  31           QB       HIS  31 -11.619  -7.503   6.152
  356    HA   PRO  32           HA       PRO  32  -9.594  -8.518  11.129
  357   1HB   PRO  32          1HB       PRO  32 -11.280  -7.427  13.017
  358   2HB   PRO  32          2HB       PRO  32  -9.722  -6.700  12.536
  359   1HG   PRO  32          1HG       PRO  32 -12.498  -5.979  11.582
  360   2HG   PRO  32          2HG       PRO  32 -11.131  -4.903  12.034
  361   1HD   PRO  32          1HD       PRO  32 -11.782  -5.515   9.446
  362   2HD   PRO  32          2HD       PRO  32 -10.108  -5.177   9.968
  363    QB   PRO  32           QB       PRO  32 -10.501  -7.063  12.777
  364    QG   PRO  32           QG       PRO  32 -11.815  -5.441  11.808
  365    QD   PRO  32           QD       PRO  32 -10.945  -5.346   9.707
  366    H    ASP  33           H        ASP  33 -12.844  -7.798   9.971
  367    HA   ASP  33           HA       ASP  33 -14.003 -10.220  11.076
  368   1HB   ASP  33          1HB       ASP  33 -16.059  -9.485  10.000
  369   2HB   ASP  33          2HB       ASP  33 -15.315  -8.145  10.871
  370    QB   ASP  33           QB       ASP  33 -15.687  -8.815  10.435
  371    H    LYS  34           H        LYS  34 -12.115  -9.540   8.304
  372    HA   LYS  34           HA       LYS  34 -13.477 -11.496   6.569
  373   1HB   LYS  34          1HB       LYS  34 -12.662  -9.419   5.470
  374   2HB   LYS  34          2HB       LYS  34 -11.077  -9.686   6.179
  375   1HG   LYS  34          1HG       LYS  34 -10.899 -10.210   3.957
  376   2HG   LYS  34          2HG       LYS  34 -10.693 -11.714   4.816
  377   1HD   LYS  34          1HD       LYS  34 -13.431 -10.919   3.791
  378   2HD   LYS  34          2HD       LYS  34 -12.228 -11.510   2.647
  379   1HE   LYS  34          1HE       LYS  34 -12.541 -13.626   3.184
  380   2HE   LYS  34          2HE       LYS  34 -12.269 -13.328   4.894
  381   1HZ   LYS  34          1HZ       LYS  34 -14.884 -12.795   3.618
  382   2HZ   LYS  34          2HZ       LYS  34 -14.453 -14.271   4.264
  383   3HZ   LYS  34          3HZ       LYS  34 -14.555 -12.987   5.240
  384    QB   LYS  34           QB       LYS  34 -11.869  -9.553   5.825
  385    QG   LYS  34           QG       LYS  34 -10.796 -10.962   4.386
  386    QD   LYS  34           QD       LYS  34 -12.829 -11.215   3.219
  387    QE   LYS  34           QE       LYS  34 -12.405 -13.477   4.039
  388    QZ   LYS  34           QZ       LYS  34 -14.631 -13.351   4.374
  389    H    ASN  35           H        ASN  35 -10.124 -10.905   7.809
  390    HA   ASN  35           HA       ASN  35  -9.351 -13.630   6.982
  391   1HB   ASN  35          1HB       ASN  35  -7.902 -11.202   8.068
  392   2HB   ASN  35          2HB       ASN  35  -7.200 -12.787   8.362
  393   1HD2  ASN  35          2HD2      ASN  35  -5.600 -11.870   5.251
  394   2HD2  ASN  35          1HD2      ASN  35  -5.536 -11.340   6.906
  395    QB   ASN  35           QB       ASN  35  -7.551 -11.994   8.215
  396    QD2  ASN  35           QD2      ASN  35  -5.568 -11.605   6.079
  397    H    LYS  36           H        LYS  36  -9.898 -11.772   9.925
  398    HA   LYS  36           HA       LYS  36 -10.294 -12.234  11.980
  399   1HB   LYS  36          1HB       LYS  36 -11.507 -14.522  10.634
  400   2HB   LYS  36          2HB       LYS  36 -10.952 -15.015  12.201
  401   1HG   LYS  36          1HG       LYS  36 -12.695 -12.545  11.832
  402   2HG   LYS  36          2HG       LYS  36 -13.349 -14.170  11.909
  403   1HD   LYS  36          1HD       LYS  36 -13.557 -13.372  14.099
  404   2HD   LYS  36          2HD       LYS  36 -12.233 -14.521  14.129
  405   1HE   LYS  36          1HE       LYS  36 -11.703 -12.636  15.524
  406   2HE   LYS  36          2HE       LYS  36 -10.598 -12.644  14.155
  407   1HZ   LYS  36          1HZ       LYS  36 -13.064 -11.003  14.180
  408   2HZ   LYS  36          2HZ       LYS  36 -11.627 -10.438  14.756
  409   3HZ   LYS  36          3HZ       LYS  36 -11.804 -10.852  13.173
  410    QB   LYS  36           QB       LYS  36 -11.229 -14.769  11.417
  411    QG   LYS  36           QG       LYS  36 -13.022 -13.357  11.871
  412    QD   LYS  36           QD       LYS  36 -12.895 -13.947  14.114
  413    QE   LYS  36           QE       LYS  36 -11.151 -12.640  14.839
  414    QZ   LYS  36           QZ       LYS  36 -12.165 -10.764  14.036
  415    H    GLU  37           H        GLU  37  -7.650 -13.503  10.445
  416    HA   GLU  37           HA       GLU  37  -6.391 -14.949  12.528
  417   1HB   GLU  37          1HB       GLU  37  -5.846 -15.208  10.182
  418   2HB   GLU  37          2HB       GLU  37  -5.444 -13.498  10.039
  419   1HG   GLU  37          1HG       GLU  37  -3.589 -13.899  11.747
  420   2HG   GLU  37          2HG       GLU  37  -4.000 -15.614  11.633
  421    QB   GLU  37           QB       GLU  37  -5.645 -14.353  10.111
  422    QG   GLU  37           QG       GLU  37  -3.794 -14.757  11.690
  423    HA   PRO  38           HA       PRO  38  -5.370 -11.229  14.763
  424   1HB   PRO  38          1HB       PRO  38  -3.600 -12.128  16.681
  425   2HB   PRO  38          2HB       PRO  38  -5.345 -12.546  16.729
  426   1HG   PRO  38          1HG       PRO  38  -3.047 -14.118  15.520
  427   2HG   PRO  38          2HG       PRO  38  -4.290 -14.692  16.669
  428   1HD   PRO  38          1HD       PRO  38  -4.528 -15.104  13.986
  429   2HD   PRO  38          2HD       PRO  38  -5.966 -14.704  14.973
  430    QB   PRO  38           QB       PRO  38  -4.473 -12.337  16.705
  431    QG   PRO  38           QG       PRO  38  -3.669 -14.405  16.095
  432    QD   PRO  38           QD       PRO  38  -5.247 -14.904  14.480
  433    H    GLY  39           H        GLY  39  -3.343 -12.830  13.224
  434   1HA   GLY  39          1HA       GLY  39  -0.748 -11.346  13.220
  435   2HA   GLY  39          2HA       GLY  39  -1.221 -12.587  12.033
  436    QA   GLY  39           QA       GLY  39  -0.985 -11.967  12.627
  437    H    ALA  40           H        ALA  40  -2.999 -12.049  10.551
  438    HA   ALA  40           HA       ALA  40  -2.819  -9.834   9.055
  439   1HB   ALA  40          3HB       ALA  40  -5.375 -11.342   9.768
  440   2HB   ALA  40          1HB       ALA  40  -5.197 -10.289   8.375
  441   3HB   ALA  40          2HB       ALA  40  -4.227 -11.780   8.487
  442    QB   ALA  40           QB       ALA  40  -4.933 -11.137   8.877
  443    H    GLU  41           H        GLU  41  -4.925 -10.101  11.963
  444    HA   GLU  41           HA       GLU  41  -6.269  -7.677  11.609
  445   1HB   GLU  41          1HB       GLU  41  -7.017  -9.395  13.118
  446   2HB   GLU  41          2HB       GLU  41  -5.585  -9.207  14.129
  447   1HG   GLU  41          1HG       GLU  41  -7.184  -6.710  13.759
  448   2HG   GLU  41          2HG       GLU  41  -8.026  -8.030  14.549
  449    QB   GLU  41           QB       GLU  41  -6.301  -9.301  13.624
  450    QG   GLU  41           QG       GLU  41  -7.605  -7.370  14.154
  451    H    GLU  42           H        GLU  42  -3.173  -8.262  13.281
  452    HA   GLU  42           HA       GLU  42  -2.829  -5.472  13.993
  453   1HB   GLU  42          1HB       GLU  42  -1.624  -7.420  15.088
  454   2HB   GLU  42          2HB       GLU  42  -0.673  -7.571  13.605
  455   1HG   GLU  42          1HG       GLU  42   0.729  -6.212  14.800
  456   2HG   GLU  42          2HG       GLU  42  -0.186  -4.963  14.013
  457    QB   GLU  42           QB       GLU  42  -1.148  -7.496  14.346
  458    QG   GLU  42           QG       GLU  42   0.272  -5.588  14.406
  459    H    LYS  43           H        LYS  43  -1.748  -7.559  11.294
  460    HA   LYS  43           HA       LYS  43  -0.048  -5.723  10.086
  461   1HB   LYS  43          1HB       LYS  43  -1.256  -8.376   9.519
  462   2HB   LYS  43          2HB       LYS  43  -0.982  -7.422   8.099
  463   1HG   LYS  43          1HG       LYS  43   1.000  -8.692   8.454
  464   2HG   LYS  43          2HG       LYS  43   1.388  -7.021   8.849
  465   1HD   LYS  43          1HD       LYS  43   0.925  -7.696  11.336
  466   2HD   LYS  43          2HD       LYS  43   0.861  -9.354  10.735
  467   1HE   LYS  43          1HE       LYS  43   3.065  -9.091  11.503
  468   2HE   LYS  43          2HE       LYS  43   3.193  -8.956   9.744
  469   1HZ   LYS  43          3HZ       LYS  43   3.103  -6.654  11.619
  470   2HZ   LYS  43          1HZ       LYS  43   4.462  -7.239  10.937
  471   3HZ   LYS  43          2HZ       LYS  43   3.307  -6.543  10.002
  472    QB   LYS  43           QB       LYS  43  -1.119  -7.899   8.809
  473    QG   LYS  43           QG       LYS  43   1.194  -7.856   8.652
  474    QD   LYS  43           QD       LYS  43   0.893  -8.525  11.036
  475    QE   LYS  43           QE       LYS  43   3.129  -9.024  10.624
  476    QZ   LYS  43           QZ       LYS  43   3.624  -6.812  10.853
  477    H    PHE  44           H        PHE  44  -3.537  -5.959   9.914
  478    HA   PHE  44           HA       PHE  44  -4.095  -4.367   7.671
  479   1HB   PHE  44          1HB       PHE  44  -5.707  -5.535   9.200
  480   2HB   PHE  44          2HB       PHE  44  -5.421  -4.316  10.417
  481    HD1  PHE  44          1HD       PHE  44  -6.935  -4.953   7.111
  482    HD2  PHE  44          2HD       PHE  44  -6.379  -2.051  10.250
  483    HE1  PHE  44          1HE       PHE  44  -8.792  -3.621   6.185
  484    HE2  PHE  44          2HE       PHE  44  -8.189  -0.667   9.266
  485   1HZ   PHE  44           HZ       PHE  44  -9.411  -1.457   7.264
  486    QB   PHE  44           QB       PHE  44  -5.564  -4.926   9.809
  487    QG   PHE  44           QD       PHE  44  -6.657  -3.502   8.681
  488    QZ   PHE  44           QE       PHE  44  -8.490  -2.144   7.725
  489    QZ   PHE  44           QR       PHE  44  -7.941  -2.550   8.015
  490    H    LYS  45           H        LYS  45  -3.039  -3.361  10.964
  491    HA   LYS  45           HA       LYS  45  -3.411  -0.556  10.519
  492   1HB   LYS  45          1HB       LYS  45  -1.545  -1.981  12.478
  493   2HB   LYS  45          2HB       LYS  45  -1.805  -0.246  12.398
  494   1HG   LYS  45          1HG       LYS  45  -3.262  -0.795  14.073
  495   2HG   LYS  45          2HG       LYS  45  -4.337  -0.768  12.679
  496   1HD   LYS  45          1HD       LYS  45  -4.030  -3.332  12.586
  497   2HD   LYS  45          2HD       LYS  45  -3.210  -3.193  14.153
  498   1HE   LYS  45          1HE       LYS  45  -5.248  -2.241  15.141
  499   2HE   LYS  45          2HE       LYS  45  -6.008  -2.139  13.557
  500   1HZ   LYS  45          2HZ       LYS  45  -5.829  -4.619  13.489
  501   2HZ   LYS  45          3HZ       LYS  45  -5.420  -4.632  15.050
  502   3HZ   LYS  45          1HZ       LYS  45  -6.865  -4.011  14.625
  503    QB   LYS  45           QB       LYS  45  -1.675  -1.113  12.438
  504    QG   LYS  45           QG       LYS  45  -3.800  -0.782  13.376
  505    QD   LYS  45           QD       LYS  45  -3.620  -3.263  13.369
  506    QE   LYS  45           QE       LYS  45  -5.628  -2.190  14.349
  507    QZ   LYS  45           QZ       LYS  45  -6.038  -4.421  14.388
  508    H    GLU  46           H        GLU  46  -0.662  -2.816   9.765
  509    HA   GLU  46           HA       GLU  46   1.070  -0.931   8.790
  510   1HB   GLU  46          1HB       GLU  46   0.896  -3.646   9.410
  511   2HB   GLU  46          2HB       GLU  46   1.222  -3.636   7.657
  512   1HG   GLU  46          1HG       GLU  46   2.948  -1.864   8.334
  513   2HG   GLU  46          2HG       GLU  46   2.795  -2.469   9.974
  514    QB   GLU  46           QB       GLU  46   1.059  -3.641   8.533
  515    QG   GLU  46           QG       GLU  46   2.872  -2.166   9.154
  516    H    ILE  47           H        ILE  47  -1.545  -2.881   7.307
  517    HA   ILE  47           HA       ILE  47  -1.160  -2.256   4.575
  518    HB   ILE  47           HB       ILE  47  -3.764  -2.733   6.082
  519   1HG1  ILE  47          1HG1      ILE  47  -1.946  -4.597   5.828
  520   2HG1  ILE  47          2HG1      ILE  47  -3.644  -4.929   5.525
  521   1HG2  ILE  47          1HG2      ILE  47  -3.418  -2.435   3.112
  522   2HG2  ILE  47          2HG2      ILE  47  -4.832  -3.160   3.918
  523   3HG2  ILE  47          3HG2      ILE  47  -4.427  -1.473   4.209
  524   1HD1  ILE  47          2HD1      ILE  47  -1.747  -4.222   3.302
  525   2HD1  ILE  47          3HD1      ILE  47  -2.008  -5.883   3.894
  526   3HD1  ILE  47          1HD1      ILE  47  -3.370  -4.977   3.216
  527    QG1  ILE  47           QG1      ILE  47  -2.795  -4.763   5.677
  528    QG2  ILE  47           QG2      ILE  47  -4.226  -2.356   3.746
  529    QD1  ILE  47           QD1      ILE  47  -2.375  -5.028   3.470
  530    H    ALA  48           H        ALA  48  -2.965  -0.486   7.133
  531    HA   ALA  48           HA       ALA  48  -4.014   1.558   5.504
  532   1HB   ALA  48          3HB       ALA  48  -4.804   1.047   7.763
  533   2HB   ALA  48          1HB       ALA  48  -3.274   1.648   8.446
  534   3HB   ALA  48          2HB       ALA  48  -4.366   2.761   7.610
  535    QB   ALA  48           QB       ALA  48  -4.148   1.819   7.940
  536    H    GLU  49           H        GLU  49  -0.857   1.315   7.162
  537    HA   GLU  49           HA       GLU  49  -0.047   4.034   6.736
  538   1HB   GLU  49          1HB       GLU  49   1.037   2.217   8.263
  539   2HB   GLU  49          2HB       GLU  49   1.847   1.654   6.810
  540   1HG   GLU  49          1HG       GLU  49   3.372   3.130   7.894
  541   2HG   GLU  49          2HG       GLU  49   2.769   4.006   6.484
  542    QB   GLU  49           QB       GLU  49   1.442   1.936   7.536
  543    QG   GLU  49           QG       GLU  49   3.070   3.568   7.189
  544    H    ALA  50           H        ALA  50   0.411   1.044   4.793
  545    HA   ALA  50           HA       ALA  50   1.763   2.464   2.628
  546   1HB   ALA  50          3HB       ALA  50   2.102   0.044   3.134
  547   2HB   ALA  50          1HB       ALA  50   0.421  -0.274   2.642
  548   3HB   ALA  50          2HB       ALA  50   1.605   0.343   1.465
  549    QB   ALA  50           QB       ALA  50   1.376   0.038   2.414
  550    H    TYR  51           H        TYR  51  -1.593   1.810   3.520
  551    HA   TYR  51           HA       TYR  51  -2.854   2.010   1.007
  552   1HB   TYR  51          1HB       TYR  51  -3.602   1.418   3.518
  553   2HB   TYR  51          2HB       TYR  51  -4.173   3.058   3.515
  554    HD1  TYR  51          1HD       TYR  51  -4.360  -0.304   2.139
  555    HD2  TYR  51          2HD       TYR  51  -6.302   3.531   2.323
  556    HE1  TYR  51          1HE       TYR  51  -6.437  -1.354   1.355
  557    HE2  TYR  51          2HE       TYR  51  -8.399   2.513   1.479
  558    HH   TYR  51           HH       TYR  51  -8.456  -0.852   0.349
  559    QB   TYR  51           QB       TYR  51  -3.888   2.238   3.517
  560    QG   TYR  51           QD       TYR  51  -5.331   1.613   2.231
  561    QZ   TYR  51           QE       TYR  51  -7.418   0.580   1.417
  562    QR   TYR  51           QR       TYR  51  -6.375   1.096   1.824
  563    H    ASP  52           H        ASP  52  -2.012   4.442   3.452
  564    HA   ASP  52           HA       ASP  52  -3.158   6.793   2.360
  565   1HB   ASP  52          1HB       ASP  52  -2.083   6.710   4.555
  566   2HB   ASP  52          2HB       ASP  52  -0.523   6.358   3.819
  567    QB   ASP  52           QB       ASP  52  -1.303   6.534   4.187
  568    H    VAL  53           H        VAL  53  -0.023   5.267   1.746
  569    HA   VAL  53           HA       VAL  53   0.872   7.095  -0.283
  570    HB   VAL  53           HB       VAL  53   1.634   4.175   0.165
  571   1HG1  VAL  53          3HG1      VAL  53   3.010   6.336  -1.444
  572   2HG1  VAL  53          1HG1      VAL  53   3.668   4.709  -1.087
  573   3HG1  VAL  53          2HG1      VAL  53   2.218   4.883  -2.070
  574   1HG2  VAL  53          1HG2      VAL  53   2.135   6.161   1.956
  575   2HG2  VAL  53          2HG2      VAL  53   3.100   4.715   1.679
  576   3HG2  VAL  53          3HG2      VAL  53   3.579   6.240   0.904
  577    QG1  VAL  53           QG1      VAL  53   2.965   5.309  -1.533
  578    QG2  VAL  53           QG2      VAL  53   2.938   5.705   1.513
  579    QQG  VAL  53           QQG      VAL  53   2.952   5.507  -0.010
  580    H    LEU  54           H        LEU  54  -0.355   3.716  -0.606
  581    HA   LEU  54           HA       LEU  54  -0.573   3.783  -3.461
  582   1HB   LEU  54          1HB       LEU  54  -1.402   1.818  -1.354
  583   2HB   LEU  54          2HB       LEU  54  -1.621   1.624  -3.068
  584    HG   LEU  54           HG       LEU  54   0.147   0.502  -2.995
  585   1HD1  LEU  54          1HD1      LEU  54   0.837   2.280  -4.500
  586   2HD1  LEU  54          2HD1      LEU  54   1.722   3.049  -3.162
  587   3HD1  LEU  54          3HD1      LEU  54   2.197   1.449  -3.734
  588   1HD2  LEU  54          1HD2      LEU  54   0.474   0.825  -0.498
  589   2HD2  LEU  54          2HD2      LEU  54   1.901   0.406  -1.444
  590   3HD2  LEU  54          3HD2      LEU  54   1.647   2.084  -0.914
  591    QB   LEU  54           QB       LEU  54  -1.511   1.721  -2.211
  592    QD1  LEU  54           QD1      LEU  54   1.585   2.259  -3.799
  593    QD2  LEU  54           QD2      LEU  54   1.341   1.105  -0.952
  594    QQD  LEU  54           QQD      LEU  54   1.463   1.682  -2.375
  595    H    SER  55           H        SER  55  -2.250   5.894  -2.080
  596    HA   SER  55           HA       SER  55  -4.506   5.316  -3.827
  597   1HB   SER  55          1HB       SER  55  -6.195   6.071  -2.244
  598   2HB   SER  55          2HB       SER  55  -5.408   4.560  -1.795
  599    HG   SER  55           HG       SER  55  -4.182   5.591  -0.272
  600    QB   SER  55           QB       SER  55  -5.801   5.315  -2.019
  601    H    ASP  56           H        ASP  56  -2.134   7.596  -2.693
  602    HA   ASP  56           HA       ASP  56  -3.455   9.554  -4.487
  603   1HB   ASP  56          1HB       ASP  56  -3.511  10.425  -2.266
  604   2HB   ASP  56          2HB       ASP  56  -1.795  10.071  -2.015
  605    QB   ASP  56           QB       ASP  56  -2.653  10.248  -2.141
  606    HA   PRO  57           HA       PRO  57   0.212   8.576  -6.826
  607   1HB   PRO  57          1HB       PRO  57   0.200  10.619  -8.681
  608   2HB   PRO  57          2HB       PRO  57  -0.890   9.202  -8.739
  609   1HG   PRO  57          1HG       PRO  57  -1.473  11.951  -7.584
  610   2HG   PRO  57          2HG       PRO  57  -2.484  10.986  -8.705
  611   1HD   PRO  57          1HD       PRO  57  -2.978  10.962  -6.061
  612   2HD   PRO  57          2HD       PRO  57  -3.089   9.459  -7.004
  613    QB   PRO  57           QB       PRO  57  -0.345   9.910  -8.710
  614    QG   PRO  57           QG       PRO  57  -1.979  11.468  -8.145
  615    QD   PRO  57           QD       PRO  57  -3.033  10.210  -6.532
  616    H    ARG  58           H        ARG  58  -0.231  11.885  -5.440
  617    HA   ARG  58           HA       ARG  58   2.500  12.705  -6.022
  618   1HB   ARG  58          1HB       ARG  58   0.697  13.909  -3.908
  619   2HB   ARG  58          2HB       ARG  58   2.059  14.622  -4.722
  620   1HG   ARG  58          1HG       ARG  58   0.656  15.617  -6.098
  621   2HG   ARG  58          2HG       ARG  58   0.337  14.073  -6.862
  622   1HD   ARG  58          1HD       ARG  58  -1.767  13.953  -5.979
  623   2HD   ARG  58          2HD       ARG  58  -1.272  14.537  -4.395
  624    HE   ARG  58           HE       ARG  58  -1.268  16.808  -5.194
  625   1HH1  ARG  58          2HH2      ARG  58  -3.256  14.570  -7.114
  626   2HH1  ARG  58          1HH2      ARG  58  -3.952  15.821  -8.073
  627   1HH2  ARG  58          2HH1      ARG  58  -2.351  18.438  -6.241
  628   2HH2  ARG  58          1HH1      ARG  58  -3.486  18.103  -7.505
  629    QB   ARG  58           QB       ARG  58   1.378  14.265  -4.315
  630    QG   ARG  58           QG       ARG  58   0.496  14.845  -6.480
  631    QD   ARG  58           QD       ARG  58  -1.519  14.245  -5.187
  632    QH1  ARG  58           QH2      ARG  58  -3.604  15.195  -7.593
  633    QH2  ARG  58           QH1      ARG  58  -2.919  18.271  -6.873
  634    H    LYS  59           H        LYS  59   0.869  11.036  -3.383
  635    HA   LYS  59           HA       LYS  59   2.924  11.484  -1.428
  636   1HB   LYS  59          1HB       LYS  59   0.470  10.571  -1.145
  637   2HB   LYS  59          2HB       LYS  59   1.127   9.001  -1.534
  638   1HG   LYS  59          1HG       LYS  59   1.841  10.803   0.802
  639   2HG   LYS  59          2HG       LYS  59   0.880   9.345   0.860
  640   1HD   LYS  59          1HD       LYS  59   2.727   8.324   1.521
  641   2HD   LYS  59          2HD       LYS  59   3.267   8.376  -0.137
  642   1HE   LYS  59          1HE       LYS  59   5.060   9.170   1.234
  643   2HE   LYS  59          2HE       LYS  59   4.413  10.600   0.417
  644   1HZ   LYS  59          2HZ       LYS  59   3.587   9.790   3.149
  645   2HZ   LYS  59          3HZ       LYS  59   4.831  10.853   2.868
  646   3HZ   LYS  59          1HZ       LYS  59   3.327  11.239   2.400
  647    QB   LYS  59           QB       LYS  59   0.798   9.786  -1.340
  648    QG   LYS  59           QG       LYS  59   1.360  10.074   0.831
  649    QD   LYS  59           QD       LYS  59   2.997   8.350   0.692
  650    QE   LYS  59           QE       LYS  59   4.736   9.885   0.825
  651    QZ   LYS  59           QZ       LYS  59   3.915  10.628   2.806
  652    H    ARG  60           H        ARG  60   2.182   8.617  -3.594
  653    HA   ARG  60           HA       ARG  60   4.596   7.310  -3.086
  654   1HB   ARG  60          1HB       ARG  60   2.324   6.736  -4.493
  655   2HB   ARG  60          2HB       ARG  60   3.416   7.105  -5.843
  656   1HG   ARG  60          1HG       ARG  60   5.110   5.527  -4.735
  657   2HG   ARG  60          2HG       ARG  60   3.849   5.216  -3.541
  658   1HD   ARG  60          1HD       ARG  60   3.644   3.431  -4.976
  659   2HD   ARG  60          2HD       ARG  60   2.352   4.521  -5.504
  660    HE   ARG  60           HE       ARG  60   5.092   4.295  -6.765
  661   1HH1  ARG  60          2HH2      ARG  60   1.570   4.680  -7.512
  662   2HH1  ARG  60          1HH2      ARG  60   1.900   4.649  -9.191
  663   1HH2  ARG  60          2HH1      ARG  60   5.413   4.757  -8.921
  664   2HH2  ARG  60          1HH1      ARG  60   4.074   4.688 -10.015
  665    QB   ARG  60           QB       ARG  60   2.870   6.921  -5.168
  666    QG   ARG  60           QG       ARG  60   4.480   5.371  -4.138
  667    QD   ARG  60           QD       ARG  60   2.998   3.976  -5.240
  668    QH1  ARG  60           QH2      ARG  60   1.735   4.665  -8.352
  669    QH2  ARG  60           QH1      ARG  60   4.744   4.723  -9.468
  670    H    GLU  61           H        GLU  61   3.885   9.947  -5.398
  671    HA   GLU  61           HA       GLU  61   5.887   9.642  -7.157
  672   1HB   GLU  61          1HB       GLU  61   4.106  11.374  -7.157
  673   2HB   GLU  61          2HB       GLU  61   5.007  12.293  -5.953
  674   1HG   GLU  61          1HG       GLU  61   6.844  12.600  -7.518
  675   2HG   GLU  61          2HG       GLU  61   6.050  11.577  -8.719
  676    QB   GLU  61           QB       GLU  61   4.556  11.833  -6.555
  677    QG   GLU  61           QG       GLU  61   6.447  12.088  -8.119
  678    H    ILE  62           H        ILE  62   6.266  11.050  -3.955
  679    HA   ILE  62           HA       ILE  62   9.023  11.883  -4.306
  680    HB   ILE  62           HB       ILE  62   7.637  11.216  -1.676
  681   1HG1  ILE  62          1HG1      ILE  62   7.634  13.913  -3.102
  682   2HG1  ILE  62          2HG1      ILE  62   6.249  12.828  -2.985
  683   1HG2  ILE  62          2HG2      ILE  62  10.151  11.553  -1.635
  684   2HG2  ILE  62          3HG2      ILE  62   9.889  13.191  -2.262
  685   3HG2  ILE  62          1HG2      ILE  62   9.272  12.723  -0.670
  686   1HD1  ILE  62          2HD1      ILE  62   6.384  12.949  -0.489
  687   2HD1  ILE  62          3HD1      ILE  62   7.606  14.237  -0.678
  688   3HD1  ILE  62          1HD1      ILE  62   5.967  14.463  -1.315
  689    QG1  ILE  62           QG1      ILE  62   6.942  13.370  -3.044
  690    QG2  ILE  62           QG2      ILE  62   9.771  12.489  -1.522
  691    QD1  ILE  62           QD1      ILE  62   6.652  13.883  -0.828
  692    H    PHE  63           H        PHE  63   7.436   9.082  -2.761
  693    HA   PHE  63           HA       PHE  63   9.751   7.672  -1.881
  694   1HB   PHE  63          1HB       PHE  63   7.474   7.334  -1.035
  695   2HB   PHE  63          2HB       PHE  63   6.926   6.774  -2.602
  696    HD1  PHE  63          2HD       PHE  63   7.978   4.601  -3.585
  697    HD2  PHE  63          1HD       PHE  63   8.252   5.769   0.572
  698    HE1  PHE  63          2HE       PHE  63   8.643   2.302  -2.966
  699    HE2  PHE  63          1HE       PHE  63   8.820   3.456   1.165
  700   1HZ   PHE  63           HZ       PHE  63   9.134   1.735  -0.605
  701    QB   PHE  63           QB       PHE  63   7.200   7.054  -1.818
  702    QG   PHE  63           QD       PHE  63   8.115   5.185  -1.506
  703    QZ   PHE  63           QE       PHE  63   8.731   2.879  -0.900
  704    QZ   PHE  63           QR       PHE  63   8.565   3.573  -1.084
  705    H    ASP  64           H        ASP  64   7.999   7.739  -4.970
  706    HA   ASP  64           HA       ASP  64   9.473   5.598  -6.209
  707   1HB   ASP  64          1HB       ASP  64   7.096   6.452  -6.724
  708   2HB   ASP  64          2HB       ASP  64   7.875   7.749  -7.637
  709    QB   ASP  64           QB       ASP  64   7.486   7.101  -7.180
  710    H    ARG  65           H        ARG  65   9.554   9.203  -6.484
  711    HA   ARG  65           HA       ARG  65  11.497   9.354  -8.521
  712   1HB   ARG  65          1HB       ARG  65  10.285  11.329  -8.048
  713   2HB   ARG  65          2HB       ARG  65  10.615  11.195  -6.342
  714   1HG   ARG  65          1HG       ARG  65  12.848  12.011  -6.537
  715   2HG   ARG  65          2HG       ARG  65  12.816  11.843  -8.299
  716   1HD   ARG  65          1HD       ARG  65  12.619  14.185  -7.562
  717   2HD   ARG  65          2HD       ARG  65  11.267  13.658  -8.541
  718    HE   ARG  65           HE       ARG  65  11.297  14.172  -5.608
  719   1HH1  ARG  65          2HH2      ARG  65   9.347  13.663  -8.566
  720   2HH1  ARG  65          1HH2      ARG  65   7.988  14.511  -7.922
  721   1HH2  ARG  65          2HH1      ARG  65   9.297  15.021  -4.688
  722   2HH2  ARG  65          1HH1      ARG  65   7.846  14.880  -5.605
  723    QB   ARG  65           QB       ARG  65  10.450  11.262  -7.195
  724    QG   ARG  65           QG       ARG  65  12.832  11.927  -7.418
  725    QD   ARG  65           QD       ARG  65  11.943  13.921  -8.051
  726    QH1  ARG  65           QH2      ARG  65   8.668  14.087  -8.244
  727    QH2  ARG  65           QH1      ARG  65   8.572  14.951  -5.147
  728    H    TYR  66           H        TYR  66  11.855   9.507  -5.006
  729    HA   TYR  66           HA       TYR  66  14.782   9.638  -5.234
  730   1HB   TYR  66          1HB       TYR  66  12.871   9.445  -2.884
  731   2HB   TYR  66          2HB       TYR  66  14.603   9.389  -2.722
  732    HD1  TYR  66          2HD       TYR  66  11.801  11.638  -3.813
  733    HD2  TYR  66          1HD       TYR  66  15.964  11.292  -2.706
  734    HE1  TYR  66          2HE       TYR  66  11.886  14.070  -3.361
  735    HE2  TYR  66          1HE       TYR  66  16.057  13.691  -2.281
  736    HH   TYR  66           HH       TYR  66  14.846  15.574  -2.028
  737    QB   TYR  66           QB       TYR  66  13.737   9.417  -2.803
  738    QG   TYR  66           QD       TYR  66  13.882  11.465  -3.259
  739    QZ   TYR  66           QE       TYR  66  13.972  13.881  -2.821
  740    QR   TYR  66           QR       TYR  66  13.927  12.673  -3.040
  741    H    GLY  67           H        GLY  67  12.345   7.092  -4.606
  742   1HA   GLY  67          1HA       GLY  67  12.595   4.811  -4.568
  743   2HA   GLY  67          2HA       GLY  67  14.329   4.946  -4.725
  744    QA   GLY  67           QA       GLY  67  13.462   4.879  -4.646
  745    H    GLU  68           H        GLU  68  11.686   5.495  -2.549
  746    HA   GLU  68           HA       GLU  68  11.246   5.339  -0.383
  747   1HB   GLU  68          1HB       GLU  68  12.122   3.042  -0.722
  748   2HB   GLU  68          2HB       GLU  68  13.706   3.593  -0.151
  749   1HG   GLU  68          1HG       GLU  68  12.606   4.327   1.982
  750   2HG   GLU  68          2HG       GLU  68  11.088   3.667   1.409
  751    QB   GLU  68           QB       GLU  68  12.914   3.318  -0.437
  752    QG   GLU  68           QG       GLU  68  11.847   3.997   1.695
  753    H    GLU  69           H        GLU  69  14.724   6.083  -0.838
  754    HA   GLU  69           HA       GLU  69  15.232   7.154   1.666
  755   1HB   GLU  69          1HB       GLU  69  17.194   8.143   0.751
  756   2HB   GLU  69          2HB       GLU  69  16.932   6.546   0.031
  757   1HG   GLU  69          1HG       GLU  69  16.038   7.610  -2.008
  758   2HG   GLU  69          2HG       GLU  69  16.264   9.205  -1.275
  759    QB   GLU  69           QB       GLU  69  17.063   7.345   0.391
  760    QG   GLU  69           QG       GLU  69  16.151   8.408  -1.642
  761    H    GLY  70           H        GLY  70  13.401   8.637  -0.851
  762   1HA   GLY  70          1HA       GLY  70  13.761  11.400  -0.153
  763   2HA   GLY  70          2HA       GLY  70  12.498  10.735  -1.166
  764    QA   GLY  70           QA       GLY  70  13.129  11.067  -0.659
  765    H    LEU  71           H        LEU  71  11.858   8.878   1.330
  766    HA   LEU  71           HA       LEU  71   9.731  10.727   2.193
  767   1HB   LEU  71          1HB       LEU  71   9.441   8.249   1.485
  768   2HB   LEU  71          2HB       LEU  71   9.990   7.844   3.105
  769    HG   LEU  71           HG       LEU  71   7.718   9.820   2.547
  770   1HD1  LEU  71          3HD1      LEU  71   7.527   6.819   2.933
  771   2HD1  LEU  71          1HD1      LEU  71   6.144   7.940   2.961
  772   3HD1  LEU  71          2HD1      LEU  71   7.094   7.743   1.476
  773   1HD2  LEU  71          3HD2      LEU  71   8.365   8.150   5.013
  774   2HD2  LEU  71          1HD2      LEU  71   8.580   9.904   4.859
  775   3HD2  LEU  71          2HD2      LEU  71   6.955   9.219   4.827
  776    QB   LEU  71           QB       LEU  71   9.716   8.047   2.295
  777    QD1  LEU  71           QD1      LEU  71   6.921   7.500   2.456
  778    QD2  LEU  71           QD2      LEU  71   7.967   9.091   4.900
  779    QQD  LEU  71           QQD      LEU  71   7.444   8.296   3.678
  780    H    LYS  72           H        LYS  72  11.195  12.181   3.180
  781    HA   LYS  72           HA       LYS  72  13.013  11.417   5.213
  782   1HB   LYS  72          1HB       LYS  72  13.289  13.401   3.872
  783   2HB   LYS  72          2HB       LYS  72  11.764  14.083   4.405
  784   1HG   LYS  72          1HG       LYS  72  13.876  13.508   6.492
  785   2HG   LYS  72          2HG       LYS  72  14.124  14.858   5.385
  786   1HD   LYS  72          1HD       LYS  72  12.027  15.894   5.988
  787   2HD   LYS  72          2HD       LYS  72  11.566  14.558   7.039
  788   1HE   LYS  72          1HE       LYS  72  14.059  16.251   7.446
  789   2HE   LYS  72          2HE       LYS  72  12.483  16.616   8.164
  790   1HZ   LYS  72          1HZ       LYS  72  12.557  14.530   9.333
  791   2HZ   LYS  72          2HZ       LYS  72  14.046  14.151   8.699
  792   3HZ   LYS  72          3HZ       LYS  72  13.863  15.461   9.669
  793    QB   LYS  72           QB       LYS  72  12.526  13.742   4.138
  794    QG   LYS  72           QG       LYS  72  14.000  14.183   5.938
  795    QD   LYS  72           QD       LYS  72  11.797  15.226   6.513
  796    QE   LYS  72           QE       LYS  72  13.271  16.434   7.805
  797    QZ   LYS  72           QZ       LYS  72  13.489  14.714   9.234
  798    H    GLY  73           H        GLY  73   9.652  12.268   5.343
  799   1HA   GLY  73          1HA       GLY  73   8.701  11.071   7.540
  800   2HA   GLY  73          2HA       GLY  73   9.456  12.537   8.222
  801    QA   GLY  73           QA       GLY  73   9.079  11.804   7.881
  802    H    SER  74           H        SER  74   7.040  12.812   8.656
  803    HA   SER  74           HA       SER  74   5.045  13.970   8.181
  804   1HB   SER  74          1HB       SER  74   7.488  15.748   8.002
  805   2HB   SER  74          2HB       SER  74   5.851  16.312   8.395
  806    HG   SER  74           HG       SER  74   6.927  15.850  10.285
  807    QB   SER  74           QB       SER  74   6.669  16.030   8.198
  808    H    GLY  75           H        GLY  75   5.802  16.558   6.401
  809   1HA   GLY  75          1HA       GLY  75   5.702  15.350   3.765
  810   2HA   GLY  75          2HA       GLY  75   4.383  16.491   4.106
  811    QA   GLY  75           QA       GLY  75   5.042  15.921   3.936
  812    H    CYS  76           H        CYS  76   5.324  18.467   5.505
  813    HA   CYS  76           HA       CYS  76   7.607  19.722   4.194
  814   1HB   CYS  76          1HB       CYS  76   7.172  21.327   6.259
  815   2HB   CYS  76          2HB       CYS  76   6.120  21.352   4.844
  816    HG   CYS  76           HG       CYS  76   4.698  21.719   6.921
  817    QB   CYS  76           QB       CYS  76   6.646  21.339   5.552
   
  No H/Q in entry =         817
  Start of MODEL   17
    1    H    MET   0           H        MET   0  10.046  -6.172   2.022
    2    HA   MET   0           HA       MET   0   8.035  -6.791   0.956
    3   1HB   MET   0          1HB       MET   0   8.024  -9.178   1.742
    4   2HB   MET   0          2HB       MET   0   7.588  -8.619   3.356
    5   1HG   MET   0          1HG       MET   0   5.672  -7.531   1.484
    6   2HG   MET   0          2HG       MET   0   5.889  -9.238   1.137
    7   1HE   MET   0          2HE       MET   0   4.814  -6.553   3.773
    8   2HE   MET   0          3HE       MET   0   3.456  -7.089   2.746
    9   3HE   MET   0          1HE       MET   0   3.444  -7.426   4.485
   10    QB   MET   0           QB       MET   0   7.806  -8.899   2.549
   11    QG   MET   0           QG       MET   0   5.781  -8.385   1.311
   12    QE   MET   0           QE       MET   0   3.905  -7.023   3.668
   13    H    GLY   1           H        GLY   1   7.970  -6.409   4.578
   14   1HA   GLY   1          1HA       GLY   1   6.275  -4.052   4.165
   15   2HA   GLY   1          2HA       GLY   1   7.037  -4.565   5.659
   16    QA   GLY   1           QA       GLY   1   6.656  -4.308   4.912
   17    H    LYS   2           H        LYS   2   8.407  -3.831   2.347
   18    HA   LYS   2           HA       LYS   2   9.648  -1.418   3.441
   19   1HB   LYS   2          1HB       LYS   2  11.093  -3.873   2.461
   20   2HB   LYS   2          2HB       LYS   2  11.624  -2.341   1.818
   21   1HG   LYS   2          1HG       LYS   2  11.443  -2.998   4.781
   22   2HG   LYS   2          2HG       LYS   2  12.889  -3.188   3.799
   23   1HD   LYS   2          1HD       LYS   2  13.442  -1.145   4.501
   24   2HD   LYS   2          2HD       LYS   2  12.311  -0.552   3.282
   25   1HE   LYS   2          1HE       LYS   2  10.512  -0.499   5.030
   26   2HE   LYS   2          2HE       LYS   2  11.682  -1.106   6.226
   27   1HZ   LYS   2          1HZ       LYS   2  11.941   1.417   4.731
   28   2HZ   LYS   2          2HZ       LYS   2  11.384   1.335   6.242
   29   3HZ   LYS   2          3HZ       LYS   2  12.959   0.908   5.904
   30    QB   LYS   2           QB       LYS   2  11.359  -3.107   2.140
   31    QG   LYS   2           QG       LYS   2  12.166  -3.093   4.290
   32    QD   LYS   2           QD       LYS   2  12.877  -0.849   3.892
   33    QE   LYS   2           QE       LYS   2  11.097  -0.803   5.628
   34    QZ   LYS   2           QZ       LYS   2  12.095   1.220   5.625
   35    H    ASP   3           H        ASP   3  10.266  -0.037   1.713
   36    HA   ASP   3           HA       ASP   3   9.728   1.285   0.056
   37   1HB   ASP   3          1HB       ASP   3  10.250  -0.296  -1.686
   38   2HB   ASP   3          2HB       ASP   3   8.705  -1.124  -1.489
   39    QB   ASP   3           QB       ASP   3   9.478  -0.710  -1.587
   40    H    TYR   4           H        TYR   4   7.011  -0.971  -0.133
   41    HA   TYR   4           HA       TYR   4   4.920  -0.346   1.344
   42   1HB   TYR   4          1HB       TYR   4   5.379   2.075  -0.363
   43   2HB   TYR   4          2HB       TYR   4   3.761   1.583   0.092
   44    HD1  TYR   4          1HD       TYR   4   5.004   0.698   3.115
   45    HD2  TYR   4          2HD       TYR   4   4.871   4.241   0.639
   46    HE1  TYR   4          1HE       TYR   4   4.994   2.080   5.114
   47    HE2  TYR   4          2HE       TYR   4   4.945   5.633   2.680
   48    HH   TYR   4           HH       TYR   4   4.839   4.202   5.966
   49    QB   TYR   4           QB       TYR   4   4.570   1.829  -0.136
   50    QG   TYR   4           QD       TYR   4   4.938   2.469   1.877
   51    QZ   TYR   4           QE       TYR   4   4.970   3.857   3.897
   52    QR   TYR   4           QR       TYR   4   4.954   3.163   2.887
   53    H    TYR   5           H        TYR   5   6.032  -0.152  -2.047
   54    HA   TYR   5           HA       TYR   5   3.850  -1.150  -3.426
   55   1HB   TYR   5          1HB       TYR   5   6.867  -1.410  -3.696
   56   2HB   TYR   5          2HB       TYR   5   5.846  -2.338  -4.738
   57    HD1  TYR   5          1HD       TYR   5   3.626  -0.242  -5.262
   58    HD2  TYR   5          2HD       TYR   5   7.936  -0.173  -5.441
   59    HE1  TYR   5          1HE       TYR   5   3.512   1.532  -6.958
   60    HE2  TYR   5          2HE       TYR   5   7.817   1.530  -7.257
   61    HH   TYR   5           HH       TYR   5   4.696   2.861  -8.445
   62    QB   TYR   5           QB       TYR   5   6.357  -1.874  -4.217
   63    QG   TYR   5           QD       TYR   5   5.781  -0.207  -5.351
   64    QZ   TYR   5           QE       TYR   5   5.665   1.531  -7.108
   65    QR   TYR   5           QR       TYR   5   5.723   0.662  -6.229
   66    H    GLN   6           H        GLN   6   6.563  -3.200  -2.181
   67    HA   GLN   6           HA       GLN   6   5.086  -5.571  -2.623
   68   1HB   GLN   6          1HB       GLN   6   7.634  -5.195  -2.368
   69   2HB   GLN   6          2HB       GLN   6   7.363  -5.391  -0.640
   70   1HG   GLN   6          1HG       GLN   6   6.363  -7.632  -1.038
   71   2HG   GLN   6          2HG       GLN   6   6.528  -7.410  -2.785
   72   1HE2  GLN   6          2HE2      GLN   6   9.914  -8.459  -2.813
   73   2HE2  GLN   6          1HE2      GLN   6   8.467  -8.070  -3.746
   74    QB   GLN   6           QB       GLN   6   7.499  -5.293  -1.504
   75    QG   GLN   6           QG       GLN   6   6.446  -7.521  -1.911
   76    QE2  GLN   6           QE2      GLN   6   9.191  -8.264  -3.279
   77    H    THR   7           H        THR   7   5.161  -3.390   0.166
   78    HA   THR   7           HA       THR   7   4.072  -5.138   2.040
   79    HB   THR   7           HB       THR   7   3.302  -2.203   1.849
   80    HG1  THR   7          1HG       THR   7   5.286  -1.914   3.068
   81   1HG2  THR   7          2HG2      THR   7   3.892  -4.113   4.161
   82   2HG2  THR   7          3HG2      THR   7   3.596  -2.374   4.336
   83   3HG2  THR   7          1HG2      THR   7   2.312  -3.432   3.722
   84    QG2  THR   7           QG2      THR   7   3.267  -3.306   4.073
   85    H    LEU   8           H        LEU   8   2.594  -3.582  -0.692
   86    HA   LEU   8           HA       LEU   8  -0.074  -4.780  -0.086
   87   1HB   LEU   8          1HB       LEU   8   0.312  -2.226  -0.579
   88   2HB   LEU   8          2HB       LEU   8   0.550  -2.762  -2.235
   89    HG   LEU   8           HG       LEU   8  -1.814  -3.901  -1.985
   90   1HD1  LEU   8          1HD1      LEU   8  -1.865  -1.946   0.354
   91   2HD1  LEU   8          2HD1      LEU   8  -3.266  -2.818  -0.298
   92   3HD1  LEU   8          3HD1      LEU   8  -1.942  -3.709   0.471
   93   1HD2  LEU   8          2HD2      LEU   8  -1.346  -1.818  -3.316
   94   2HD2  LEU   8          3HD2      LEU   8  -2.957  -1.909  -2.625
   95   3HD2  LEU   8          1HD2      LEU   8  -1.754  -0.865  -1.868
   96    QB   LEU   8           QB       LEU   8   0.431  -2.494  -1.407
   97    QD1  LEU   8           QD1      LEU   8  -2.358  -2.824   0.176
   98    QD2  LEU   8           QD2      LEU   8  -2.019  -1.531  -2.603
   99    QQD  LEU   8           QQD      LEU   8  -2.188  -2.178  -1.214
  100    H    GLY   9           H        GLY   9   2.652  -5.803  -1.415
  101   1HA   GLY   9          1HA       GLY   9   2.907  -7.800  -2.453
  102   2HA   GLY   9          2HA       GLY   9   1.252  -7.737  -3.047
  103    QA   GLY   9           QA       GLY   9   2.080  -7.768  -2.750
  104    H    LEU  10           H        LEU  10   2.831  -4.827  -3.968
  105    HA   LEU  10           HA       LEU  10   3.034  -5.923  -6.750
  106   1HB   LEU  10          1HB       LEU  10   2.760  -3.025  -5.943
  107   2HB   LEU  10          2HB       LEU  10   2.632  -3.743  -7.542
  108    HG   LEU  10           HG       LEU  10   0.655  -5.092  -5.995
  109   1HD1  LEU  10          1HD1      LEU  10   0.899  -3.281  -4.342
  110   2HD1  LEU  10          2HD1      LEU  10   0.606  -2.062  -5.604
  111   3HD1  LEU  10          3HD1      LEU  10  -0.671  -3.201  -5.146
  112   1HD2  LEU  10          1HD2      LEU  10   0.618  -4.535  -8.407
  113   2HD2  LEU  10          2HD2      LEU  10  -0.860  -4.087  -7.558
  114   3HD2  LEU  10          3HD2      LEU  10   0.325  -2.829  -7.997
  115    QB   LEU  10           QB       LEU  10   2.696  -3.384  -6.743
  116    QD1  LEU  10           QD1      LEU  10   0.278  -2.848  -5.031
  117    QD2  LEU  10           QD2      LEU  10   0.027  -3.817  -7.987
  118    QQD  LEU  10           QQD      LEU  10   0.153  -3.332  -6.509
  119    H    ALA  11           H        ALA  11   4.611  -4.497  -8.139
  120    HA   ALA  11           HA       ALA  11   6.317  -2.597  -7.049
  121   1HB   ALA  11          1HB       ALA  11   7.716  -5.232  -7.670
  122   2HB   ALA  11          2HB       ALA  11   8.543  -3.685  -7.395
  123   3HB   ALA  11          3HB       ALA  11   7.647  -4.434  -6.077
  124    QB   ALA  11           QB       ALA  11   7.969  -4.450  -7.047
  125    H    ARG  12           H        ARG  12   7.849  -1.819  -8.640
  126    HA   ARG  12           HA       ARG  12   8.390  -1.106 -10.829
  127   1HB   ARG  12          1HB       ARG  12   9.395  -3.851 -10.118
  128   2HB   ARG  12          2HB       ARG  12   9.756  -3.238 -11.724
  129   1HG   ARG  12          1HG       ARG  12  11.523  -2.808 -10.017
  130   2HG   ARG  12          2HG       ARG  12  10.991  -1.411 -10.947
  131   1HD   ARG  12          1HD       ARG  12   9.720  -0.524  -9.095
  132   2HD   ARG  12          2HD       ARG  12   9.981  -2.000  -8.158
  133    HE   ARG  12           HE       ARG  12  12.303  -1.518  -7.988
  134   1HH1  ARG  12          2HH2      ARG  12  10.576   1.281  -9.350
  135   2HH1  ARG  12          1HH2      ARG  12  11.655   2.439  -8.640
  136   1HH2  ARG  12          2HH1      ARG  12  13.795  -0.052  -7.317
  137   2HH2  ARG  12          1HH1      ARG  12  13.485   1.660  -7.268
  138    QB   ARG  12           QB       ARG  12   9.576  -3.544 -10.921
  139    QG   ARG  12           QG       ARG  12  11.257  -2.110 -10.482
  140    QD   ARG  12           QD       ARG  12   9.851  -1.262  -8.626
  141    QH1  ARG  12           QH2      ARG  12  11.115   1.860  -8.995
  142    QH2  ARG  12           QH1      ARG  12  13.640   0.804  -7.293
  143    H    GLY  13           H        GLY  13   6.092  -1.064 -11.211
  144   1HA   GLY  13          1HA       GLY  13   5.004  -1.156 -13.595
  145   2HA   GLY  13          2HA       GLY  13   5.183  -2.901 -13.393
  146    QA   GLY  13           QA       GLY  13   5.093  -2.028 -13.494
  147    H    ALA  14           H        ALA  14   4.518  -0.935 -10.554
  148    HA   ALA  14           HA       ALA  14   1.873  -2.160 -10.158
  149   1HB   ALA  14          1HB       ALA  14   3.515  -1.878  -8.277
  150   2HB   ALA  14          2HB       ALA  14   3.500  -0.144  -8.573
  151   3HB   ALA  14          3HB       ALA  14   2.016  -0.944  -8.008
  152    QB   ALA  14           QB       ALA  14   3.010  -0.989  -8.286
  153    H    SER  15           H        SER  15   0.944  -1.202 -12.164
  154    HA   SER  15           HA       SER  15   0.673   1.665 -12.399
  155   1HB   SER  15          1HB       SER  15  -1.215   0.917 -13.990
  156   2HB   SER  15          2HB       SER  15   0.430   0.426 -14.411
  157    HG   SER  15           HG       SER  15  -0.894  -1.375 -14.593
  158    QB   SER  15           QB       SER  15  -0.393   0.672 -14.200
  159    H    ASP  16           H        ASP  16  -1.273   2.746 -12.339
  160    HA   ASP  16           HA       ASP  16  -2.383   2.957  -9.858
  161   1HB   ASP  16          1HB       ASP  16  -4.200   4.287 -11.138
  162   2HB   ASP  16          2HB       ASP  16  -2.522   4.779 -11.411
  163    QB   ASP  16           QB       ASP  16  -3.361   4.533 -11.274
  164    H    GLU  17           H        GLU  17  -3.730   1.097 -12.654
  165    HA   GLU  17           HA       GLU  17  -6.130   0.393 -11.203
  166   1HB   GLU  17          1HB       GLU  17  -5.718   0.403 -13.767
  167   2HB   GLU  17          2HB       GLU  17  -4.915  -1.148 -13.518
  168   1HG   GLU  17          1HG       GLU  17  -7.029  -1.967 -13.843
  169   2HG   GLU  17          2HG       GLU  17  -7.262  -1.616 -12.148
  170    QB   GLU  17           QB       GLU  17  -5.316  -0.372 -13.643
  171    QG   GLU  17           QG       GLU  17  -7.146  -1.791 -12.996
  172    H    GLU  18           H        GLU  18  -2.818  -0.876 -11.164
  173    HA   GLU  18           HA       GLU  18  -3.699  -3.605 -10.544
  174   1HB   GLU  18          1HB       GLU  18  -1.393  -2.341 -11.685
  175   2HB   GLU  18          2HB       GLU  18  -0.859  -3.000 -10.160
  176   1HG   GLU  18          1HG       GLU  18  -2.277  -4.528 -12.389
  177   2HG   GLU  18          2HG       GLU  18  -0.552  -4.591 -12.023
  178    QB   GLU  18           QB       GLU  18  -1.126  -2.671 -10.923
  179    QG   GLU  18           QG       GLU  18  -1.414  -4.560 -12.206
  180    H    ILE  19           H        ILE  19  -2.345  -0.642  -9.166
  181    HA   ILE  19           HA       ILE  19  -2.270  -1.354  -6.438
  182    HB   ILE  19           HB       ILE  19  -2.502   1.234  -7.958
  183   1HG1  ILE  19          1HG1      ILE  19  -0.442   0.004  -6.072
  184   2HG1  ILE  19          2HG1      ILE  19  -0.347   0.021  -7.835
  185   1HG2  ILE  19          2HG2      ILE  19  -3.889   1.547  -5.869
  186   2HG2  ILE  19          3HG2      ILE  19  -2.458   1.092  -4.913
  187   3HG2  ILE  19          1HG2      ILE  19  -2.468   2.540  -5.954
  188   1HD1  ILE  19          1HD1      ILE  19  -0.279   2.520  -7.763
  189   2HD1  ILE  19          2HD1      ILE  19  -0.215   2.426  -5.993
  190   3HD1  ILE  19          3HD1      ILE  19   1.091   1.733  -6.957
  191    QG1  ILE  19           QG1      ILE  19  -0.395   0.013  -6.953
  192    QG2  ILE  19           QG2      ILE  19  -2.938   1.726  -5.579
  193    QD1  ILE  19           QD1      ILE  19   0.199   2.227  -6.904
  194    H    LYS  20           H        LYS  20  -4.900   0.432  -8.234
  195    HA   LYS  20           HA       LYS  20  -6.751   0.303  -6.140
  196   1HB   LYS  20          1HB       LYS  20  -7.052   0.559  -9.146
  197   2HB   LYS  20          2HB       LYS  20  -8.448   0.655  -8.073
  198   1HG   LYS  20          1HG       LYS  20  -7.778   2.644  -7.071
  199   2HG   LYS  20          2HG       LYS  20  -6.070   2.399  -7.424
  200   1HD   LYS  20          1HD       LYS  20  -7.046   4.249  -8.721
  201   2HD   LYS  20          2HD       LYS  20  -6.340   2.989  -9.742
  202   1HE   LYS  20          1HE       LYS  20  -8.621   2.032 -10.111
  203   2HE   LYS  20          2HE       LYS  20  -9.305   3.374  -9.163
  204   1HZ   LYS  20          1HZ       LYS  20  -8.249   4.876 -10.825
  205   2HZ   LYS  20          2HZ       LYS  20  -7.822   3.602 -11.728
  206   3HZ   LYS  20          3HZ       LYS  20  -9.415   3.898 -11.470
  207    QB   LYS  20           QB       LYS  20  -7.750   0.607  -8.610
  208    QG   LYS  20           QG       LYS  20  -6.924   2.521  -7.247
  209    QD   LYS  20           QD       LYS  20  -6.693   3.619  -9.231
  210    QE   LYS  20           QE       LYS  20  -8.963   2.703  -9.637
  211    QZ   LYS  20           QZ       LYS  20  -8.496   4.126 -11.341
  212    H    ARG  21           H        ARG  21  -6.018  -2.251  -8.465
  213    HA   ARG  21           HA       ARG  21  -8.182  -3.993  -7.637
  214   1HB   ARG  21          1HB       ARG  21  -6.757  -4.049  -9.801
  215   2HB   ARG  21          2HB       ARG  21  -5.491  -4.758  -8.855
  216   1HG   ARG  21          1HG       ARG  21  -6.571  -6.637  -9.768
  217   2HG   ARG  21          2HG       ARG  21  -7.338  -6.543  -8.168
  218   1HD   ARG  21          1HD       ARG  21  -9.151  -5.100  -9.291
  219   2HD   ARG  21          2HD       ARG  21  -8.388  -5.499 -10.824
  220    HE   ARG  21           HE       ARG  21  -8.957  -7.775 -10.582
  221   1HH1  ARG  21          2HH2      ARG  21 -10.708  -5.600  -8.275
  222   2HH1  ARG  21          1HH2      ARG  21 -11.846  -6.845  -7.866
  223   1HH2  ARG  21          2HH1      ARG  21 -10.667  -9.276 -10.106
  224   2HH2  ARG  21          1HH1      ARG  21 -12.039  -8.725  -9.197
  225    QB   ARG  21           QB       ARG  21  -6.124  -4.404  -9.328
  226    QG   ARG  21           QG       ARG  21  -6.955  -6.590  -8.968
  227    QD   ARG  21           QD       ARG  21  -8.770  -5.299 -10.058
  228    QH1  ARG  21           QH2      ARG  21 -11.277  -6.223  -8.070
  229    QH2  ARG  21           QH1      ARG  21 -11.353  -9.001  -9.651
  230    H    ALA  22           H        ALA  22  -4.709  -3.808  -6.880
  231    HA   ALA  22           HA       ALA  22  -4.558  -5.914  -4.989
  232   1HB   ALA  22          1HB       ALA  22  -2.890  -3.383  -5.175
  233   2HB   ALA  22          2HB       ALA  22  -2.499  -4.802  -4.181
  234   3HB   ALA  22          3HB       ALA  22  -2.530  -4.947  -5.940
  235    QB   ALA  22           QB       ALA  22  -2.640  -4.377  -5.099
  236    H    TYR  23           H        TYR  23  -4.888  -2.352  -4.280
  237    HA   TYR  23           HA       TYR  23  -5.116  -2.507  -1.533
  238   1HB   TYR  23          1HB       TYR  23  -4.743  -0.421  -2.072
  239   2HB   TYR  23          2HB       TYR  23  -5.177  -0.621  -3.730
  240    HD1  TYR  23          1HD       TYR  23  -7.784  -0.829  -4.158
  241    HD2  TYR  23          2HD       TYR  23  -5.787   1.469  -1.112
  242    HE1  TYR  23          1HE       TYR  23  -9.717   0.707  -4.077
  243    HE2  TYR  23          2HE       TYR  23  -7.694   3.050  -1.074
  244    HH   TYR  23           HH       TYR  23  -9.818   3.533  -1.940
  245    QB   TYR  23           QB       TYR  23  -4.960  -0.521  -2.901
  246    QG   TYR  23           QD       TYR  23  -6.786   0.320  -2.635
  247    QZ   TYR  23           QE       TYR  23  -8.705   1.879  -2.575
  248    QR   TYR  23           QR       TYR  23  -7.745   1.099  -2.605
  249    H    ARG  24           H        ARG  24  -7.665  -3.019  -3.986
  250    HA   ARG  24           HA       ARG  24  -9.601  -3.181  -1.766
  251   1HB   ARG  24          1HB       ARG  24  -9.839  -2.087  -4.274
  252   2HB   ARG  24          2HB       ARG  24 -10.645  -3.650  -4.490
  253   1HG   ARG  24          1HG       ARG  24 -12.102  -3.179  -2.576
  254   2HG   ARG  24          2HG       ARG  24 -11.173  -1.739  -2.151
  255   1HD   ARG  24          1HD       ARG  24 -13.269  -1.117  -3.235
  256   2HD   ARG  24          2HD       ARG  24 -11.857  -0.568  -4.135
  257    HE   ARG  24           HE       ARG  24 -12.546  -1.776  -5.923
  258   1HH1  ARG  24          2HH2      ARG  24 -14.193  -3.107  -3.050
  259   2HH1  ARG  24          1HH2      ARG  24 -15.212  -4.159  -3.922
  260   1HH2  ARG  24          2HH1      ARG  24 -13.784  -3.255  -7.096
  261   2HH2  ARG  24          1HH1      ARG  24 -14.875  -4.364  -6.319
  262    QB   ARG  24           QB       ARG  24 -10.242  -2.869  -4.382
  263    QG   ARG  24           QG       ARG  24 -11.637  -2.459  -2.364
  264    QD   ARG  24           QD       ARG  24 -12.563  -0.843  -3.685
  265    QH1  ARG  24           QH2      ARG  24 -14.702  -3.633  -3.486
  266    QH2  ARG  24           QH1      ARG  24 -14.330  -3.810  -6.708
  267    H    ARG  25           H        ARG  25  -7.490  -5.346  -3.044
  268    HA   ARG  25           HA       ARG  25  -9.206  -7.593  -2.085
  269   1HB   ARG  25          1HB       ARG  25  -6.528  -7.584  -3.546
  270   2HB   ARG  25          2HB       ARG  25  -7.222  -9.012  -2.787
  271   1HG   ARG  25          1HG       ARG  25  -8.587  -7.437  -5.018
  272   2HG   ARG  25          2HG       ARG  25  -7.618  -8.894  -5.244
  273   1HD   ARG  25          1HD       ARG  25  -9.205 -10.132  -3.714
  274   2HD   ARG  25          2HD       ARG  25 -10.214  -8.690  -3.677
  275    HE   ARG  25           HE       ARG  25 -10.757  -8.925  -5.936
  276   1HH1  ARG  25          2HH2      ARG  25  -8.781 -11.754  -4.910
  277   2HH1  ARG  25          1HH2      ARG  25  -9.704 -12.843  -5.902
  278   1HH2  ARG  25          2HH1      ARG  25 -11.622 -10.340  -7.459
  279   2HH2  ARG  25          1HH1      ARG  25 -10.953 -11.946  -7.651
  280    QB   ARG  25           QB       ARG  25  -6.875  -8.298  -3.166
  281    QG   ARG  25           QG       ARG  25  -8.103  -8.166  -5.131
  282    QD   ARG  25           QD       ARG  25  -9.709  -9.411  -3.696
  283    QH1  ARG  25           QH2      ARG  25  -9.242 -12.298  -5.406
  284    QH2  ARG  25           QH1      ARG  25 -11.287 -11.143  -7.555
  285    H    GLN  26           H        GLN  26  -6.004  -5.990  -1.561
  286    HA   GLN  26           HA       GLN  26  -5.265  -7.496   0.633
  287   1HB   GLN  26          1HB       GLN  26  -4.402  -4.946  -0.681
  288   2HB   GLN  26          2HB       GLN  26  -3.970  -5.067   0.988
  289   1HG   GLN  26          1HG       GLN  26  -2.162  -5.933  -0.390
  290   2HG   GLN  26          2HG       GLN  26  -2.825  -7.201   0.626
  291   1HE2  GLN  26          2HE2      GLN  26  -2.413  -8.053  -3.177
  292   2HE2  GLN  26          1HE2      GLN  26  -1.662  -6.648  -2.482
  293    QB   GLN  26           QB       GLN  26  -4.186  -5.006   0.153
  294    QG   GLN  26           QG       GLN  26  -2.494  -6.567   0.118
  295    QE2  GLN  26           QE2      GLN  26  -2.038  -7.351  -2.829
  296    H    ALA  27           H        ALA  27  -7.026  -4.309   0.707
  297    HA   ALA  27           HA       ALA  27  -7.071  -4.231   3.581
  298   1HB   ALA  27          2HB       ALA  27  -9.049  -3.144   1.522
  299   2HB   ALA  27          3HB       ALA  27  -9.180  -2.881   3.273
  300   3HB   ALA  27          1HB       ALA  27  -7.776  -2.273   2.423
  301    QB   ALA  27           QB       ALA  27  -8.669  -2.766   2.406
  302    H    LEU  28           H        LEU  28  -9.236  -5.748   1.142
  303    HA   LEU  28           HA       LEU  28 -11.293  -6.502   2.921
  304   1HB   LEU  28          1HB       LEU  28 -10.527  -6.706   0.067
  305   2HB   LEU  28          2HB       LEU  28 -11.194  -8.203   0.648
  306    HG   LEU  28           HG       LEU  28 -13.161  -6.852   1.605
  307   1HD1  LEU  28          3HD1      LEU  28 -11.882  -4.692  -0.139
  308   2HD1  LEU  28          1HD1      LEU  28 -13.478  -4.598   0.603
  309   3HD1  LEU  28          2HD1      LEU  28 -12.049  -4.635   1.629
  310   1HD2  LEU  28          3HD2      LEU  28 -12.696  -6.766  -1.402
  311   2HD2  LEU  28          1HD2      LEU  28 -13.346  -8.143  -0.488
  312   3HD2  LEU  28          2HD2      LEU  28 -14.265  -6.626  -0.581
  313    QB   LEU  28           QB       LEU  28 -10.860  -7.455   0.357
  314    QD1  LEU  28           QD1      LEU  28 -12.470  -4.642   0.698
  315    QD2  LEU  28           QD2      LEU  28 -13.435  -7.178  -0.824
  316    QQD  LEU  28           QQD      LEU  28 -12.952  -5.910  -0.063
  317    H    ARG  29           H        ARG  29  -8.382  -8.120   1.772
  318    HA   ARG  29           HA       ARG  29  -8.702 -10.743   2.710
  319   1HB   ARG  29          1HB       ARG  29  -7.041 -10.072   1.084
  320   2HB   ARG  29          2HB       ARG  29  -6.340  -8.903   2.163
  321   1HG   ARG  29          1HG       ARG  29  -4.903 -10.837   1.881
  322   2HG   ARG  29          2HG       ARG  29  -5.361 -10.551   3.557
  323   1HD   ARG  29          1HD       ARG  29  -5.328 -12.962   2.846
  324   2HD   ARG  29          2HD       ARG  29  -6.810 -12.398   3.625
  325    HE   ARG  29           HE       ARG  29  -6.671 -12.351   0.668
  326   1HH1  ARG  29          2HH2      ARG  29  -7.742 -14.208   3.507
  327   2HH1  ARG  29          1HH2      ARG  29  -9.211 -14.758   2.781
  328   1HH2  ARG  29          2HH1      ARG  29  -8.570 -13.105  -0.333
  329   2HH2  ARG  29          1HH1      ARG  29  -9.611 -14.250   0.471
  330    QB   ARG  29           QB       ARG  29  -6.690  -9.487   1.624
  331    QG   ARG  29           QG       ARG  29  -5.132 -10.694   2.719
  332    QD   ARG  29           QD       ARG  29  -6.069 -12.680   3.236
  333    QH1  ARG  29           QH2      ARG  29  -8.476 -14.483   3.144
  334    QH2  ARG  29           QH1      ARG  29  -9.091 -13.677   0.069
  335    H    TYR  30           H        TYR  30  -7.047  -7.928   4.294
  336    HA   TYR  30           HA       TYR  30  -6.791  -9.565   6.739
  337   1HB   TYR  30          1HB       TYR  30  -5.777  -6.863   5.837
  338   2HB   TYR  30          2HB       TYR  30  -5.581  -7.420   7.500
  339    HD1  TYR  30          1HD       TYR  30  -4.628  -8.090   3.968
  340    HD2  TYR  30          2HD       TYR  30  -3.929  -9.046   8.115
  341    HE1  TYR  30          1HE       TYR  30  -2.570  -9.286   3.331
  342    HE2  TYR  30          2HE       TYR  30  -1.876 -10.276   7.478
  343    HH   TYR  30           HH       TYR  30  -0.547 -11.025   5.707
  344    QB   TYR  30           QB       TYR  30  -5.679  -7.142   6.669
  345    QG   TYR  30           QD       TYR  30  -4.278  -8.568   6.041
  346    QZ   TYR  30           QE       TYR  30  -2.223  -9.781   5.404
  347    QR   TYR  30           QR       TYR  30  -3.251  -9.175   5.723
  348    H    HIS  31           H        HIS  31  -9.237  -7.504   5.518
  349    HA   HIS  31           HA       HIS  31  -9.543  -5.597   7.267
  350   1HB   HIS  31          1HB       HIS  31 -11.082  -6.661   5.182
  351   2HB   HIS  31          2HB       HIS  31 -12.133  -6.721   6.571
  352    HD1  HIS  31          1HD       HIS  31 -12.866  -4.324   7.710
  353    HD2  HIS  31          2HD       HIS  31 -11.063  -4.400   3.953
  354    HE1  HIS  31          1HE       HIS  31 -13.077  -2.026   6.871
  355    QB   HIS  31           QB       HIS  31 -11.608  -6.691   5.877
  356    HA   PRO  32           HA       PRO  32 -10.030  -7.899  10.948
  357   1HB   PRO  32          1HB       PRO  32 -10.364  -5.938  12.807
  358   2HB   PRO  32          2HB       PRO  32  -8.848  -6.164  11.874
  359   1HG   PRO  32          1HG       PRO  32 -11.133  -4.248  11.253
  360   2HG   PRO  32          2HG       PRO  32  -9.388  -3.866  11.413
  361   1HD   PRO  32          1HD       PRO  32 -10.457  -4.348   8.987
  362   2HD   PRO  32          2HD       PRO  32  -8.846  -5.017   9.416
  363    QB   PRO  32           QB       PRO  32  -9.606  -6.051  12.340
  364    QG   PRO  32           QG       PRO  32 -10.260  -4.057  11.333
  365    QD   PRO  32           QD       PRO  32  -9.651  -4.682   9.201
  366    H    ASP  33           H        ASP  33 -12.650  -6.095   9.654
  367    HA   ASP  33           HA       ASP  33 -14.618  -7.279  11.503
  368   1HB   ASP  33          1HB       ASP  33 -16.040  -5.558  10.900
  369   2HB   ASP  33          2HB       ASP  33 -14.490  -4.747  10.703
  370    QB   ASP  33           QB       ASP  33 -15.265  -5.153  10.801
  371    H    LYS  34           H        LYS  34 -13.394  -7.491   8.173
  372    HA   LYS  34           HA       LYS  34 -15.826  -8.949   7.278
  373   1HB   LYS  34          1HB       LYS  34 -14.848  -7.319   5.667
  374   2HB   LYS  34          2HB       LYS  34 -13.301  -8.159   5.794
  375   1HG   LYS  34          1HG       LYS  34 -13.951 -10.110   4.743
  376   2HG   LYS  34          2HG       LYS  34 -15.670  -9.664   4.830
  377   1HD   LYS  34          1HD       LYS  34 -15.001  -7.643   3.330
  378   2HD   LYS  34          2HD       LYS  34 -13.515  -8.564   3.022
  379   1HE   LYS  34          1HE       LYS  34 -16.400  -9.414   2.492
  380   2HE   LYS  34          2HE       LYS  34 -15.195  -9.007   1.272
  381   1HZ   LYS  34          3HZ       LYS  34 -13.938 -10.976   2.005
  382   2HZ   LYS  34          1HZ       LYS  34 -15.078 -11.322   3.117
  383   3HZ   LYS  34          2HZ       LYS  34 -15.504 -11.369   1.539
  384    QB   LYS  34           QB       LYS  34 -14.075  -7.739   5.730
  385    QG   LYS  34           QG       LYS  34 -14.811  -9.887   4.786
  386    QD   LYS  34           QD       LYS  34 -14.258  -8.103   3.176
  387    QE   LYS  34           QE       LYS  34 -15.797  -9.210   1.882
  388    QZ   LYS  34           QZ       LYS  34 -14.840 -11.223   2.221
  389    H    ASN  35           H        ASN  35 -12.328  -9.566   7.821
  390    HA   ASN  35           HA       ASN  35 -12.716 -12.450   7.200
  391   1HB   ASN  35          1HB       ASN  35 -10.737 -11.102   6.249
  392   2HB   ASN  35          2HB       ASN  35 -10.128 -11.016   7.904
  393   1HD2  ASN  35          2HD2      ASN  35  -8.249 -13.778   6.648
  394   2HD2  ASN  35          1HD2      ASN  35  -8.436 -12.095   6.276
  395    QB   ASN  35           QB       ASN  35 -10.433 -11.059   7.077
  396    QD2  ASN  35           QD2      ASN  35  -8.342 -12.936   6.462
  397    H    LYS  36           H        LYS  36 -11.787 -10.180   9.781
  398    HA   LYS  36           HA       LYS  36 -11.369 -10.404  11.996
  399   1HB   LYS  36          1HB       LYS  36 -13.548 -12.396  11.619
  400   2HB   LYS  36          2HB       LYS  36 -12.901 -12.017  13.214
  401   1HG   LYS  36          1HG       LYS  36 -13.631  -9.787  13.144
  402   2HG   LYS  36          2HG       LYS  36 -14.027  -9.863  11.407
  403   1HD   LYS  36          1HD       LYS  36 -15.891 -11.273  11.777
  404   2HD   LYS  36          2HD       LYS  36 -15.338 -11.714  13.402
  405   1HE   LYS  36          1HE       LYS  36 -15.809  -9.501  14.270
  406   2HE   LYS  36          2HE       LYS  36 -16.208  -8.896  12.651
  407   1HZ   LYS  36          1HZ       LYS  36 -17.707 -11.063  13.997
  408   2HZ   LYS  36          2HZ       LYS  36 -18.169  -9.477  13.998
  409   3HZ   LYS  36          3HZ       LYS  36 -18.096 -10.294  12.586
  410    QB   LYS  36           QB       LYS  36 -13.224 -12.207  12.417
  411    QG   LYS  36           QG       LYS  36 -13.829  -9.825  12.275
  412    QD   LYS  36           QD       LYS  36 -15.615 -11.493  12.590
  413    QE   LYS  36           QE       LYS  36 -16.009  -9.198  13.460
  414    QZ   LYS  36           QZ       LYS  36 -17.991 -10.278  13.527
  415    H    GLU  37           H        GLU  37  -9.314 -11.286  10.746
  416    HA   GLU  37           HA       GLU  37  -8.641 -14.058  11.136
  417   1HB   GLU  37          1HB       GLU  37  -7.817 -11.985   9.473
  418   2HB   GLU  37          2HB       GLU  37  -6.439 -12.311  10.523
  419   1HG   GLU  37          1HG       GLU  37  -6.860 -14.809   9.929
  420   2HG   GLU  37          2HG       GLU  37  -7.933 -14.219   8.700
  421    QB   GLU  37           QB       GLU  37  -7.128 -12.148   9.998
  422    QG   GLU  37           QG       GLU  37  -7.396 -14.514   9.314
  423    HA   PRO  38           HA       PRO  38  -6.786 -13.418  15.193
  424   1HB   PRO  38          1HB       PRO  38  -4.468 -14.773  15.367
  425   2HB   PRO  38          2HB       PRO  38  -5.978 -15.594  14.912
  426   1HG   PRO  38          1HG       PRO  38  -3.826 -14.543  13.046
  427   2HG   PRO  38          2HG       PRO  38  -4.563 -16.180  13.082
  428   1HD   PRO  38          1HD       PRO  38  -5.414 -14.147  11.446
  429   2HD   PRO  38          2HD       PRO  38  -6.521 -15.419  12.057
  430    QB   PRO  38           QB       PRO  38  -5.223 -15.183  15.140
  431    QG   PRO  38           QG       PRO  38  -4.194 -15.362  13.064
  432    QD   PRO  38           QD       PRO  38  -5.968 -14.783  11.751
  433    H    GLY  39           H        GLY  39  -3.879 -13.087  15.737
  434   1HA   GLY  39          1HA       GLY  39  -3.499 -10.358  15.757
  435   2HA   GLY  39          2HA       GLY  39  -2.194 -11.530  15.881
  436    QA   GLY  39           QA       GLY  39  -2.846 -10.944  15.819
  437    H    ALA  40           H        ALA  40  -3.804 -11.760  12.891
  438    HA   ALA  40           HA       ALA  40  -1.872 -10.450  11.194
  439   1HB   ALA  40          1HB       ALA  40  -3.502 -12.349  10.540
  440   2HB   ALA  40          2HB       ALA  40  -4.771 -11.101  10.624
  441   3HB   ALA  40          3HB       ALA  40  -3.464 -10.946   9.454
  442    QB   ALA  40           QB       ALA  40  -3.912 -11.465  10.206
  443    H    GLU  41           H        GLU  41  -4.545  -9.420  13.233
  444    HA   GLU  41           HA       GLU  41  -5.285  -6.937  12.180
  445   1HB   GLU  41          1HB       GLU  41  -6.215  -8.161  14.171
  446   2HB   GLU  41          2HB       GLU  41  -4.750  -7.773  15.050
  447   1HG   GLU  41          1HG       GLU  41  -6.085  -6.160  15.891
  448   2HG   GLU  41          2HG       GLU  41  -5.455  -5.243  14.545
  449    QB   GLU  41           QB       GLU  41  -5.483  -7.967  14.610
  450    QG   GLU  41           QG       GLU  41  -5.770  -5.702  15.218
  451    H    GLU  42           H        GLU  42  -2.156  -7.883  13.601
  452    HA   GLU  42           HA       GLU  42  -1.287  -5.064  13.667
  453   1HB   GLU  42          1HB       GLU  42  -0.549  -6.933  15.328
  454   2HB   GLU  42          2HB       GLU  42   0.525  -7.453  14.035
  455   1HG   GLU  42          1HG       GLU  42   1.862  -5.972  15.271
  456   2HG   GLU  42          2HG       GLU  42   1.289  -4.937  13.961
  457    QB   GLU  42           QB       GLU  42  -0.012  -7.193  14.681
  458    QG   GLU  42           QG       GLU  42   1.576  -5.454  14.616
  459    H    LYS  43           H        LYS  43  -0.615  -7.970  11.717
  460    HA   LYS  43           HA       LYS  43   1.068  -6.811   9.836
  461   1HB   LYS  43          1HB       LYS  43  -0.290  -9.274  10.202
  462   2HB   LYS  43          2HB       LYS  43  -0.888  -8.701   8.679
  463   1HG   LYS  43          1HG       LYS  43   1.025 -10.225   8.447
  464   2HG   LYS  43          2HG       LYS  43   1.330  -8.654   7.722
  465   1HD   LYS  43          1HD       LYS  43   2.766  -8.011   9.628
  466   2HD   LYS  43          2HD       LYS  43   2.312  -9.501  10.472
  467   1HE   LYS  43          1HE       LYS  43   4.526  -9.673   9.517
  468   2HE   LYS  43          2HE       LYS  43   3.423 -10.848   8.790
  469   1HZ   LYS  43          1HZ       LYS  43   4.107  -8.243   7.537
  470   2HZ   LYS  43          2HZ       LYS  43   4.882  -9.687   7.218
  471   3HZ   LYS  43          3HZ       LYS  43   3.307  -9.505   6.843
  472    QB   LYS  43           QB       LYS  43  -0.589  -8.987   9.440
  473    QG   LYS  43           QG       LYS  43   1.177  -9.439   8.084
  474    QD   LYS  43           QD       LYS  43   2.539  -8.756  10.050
  475    QE   LYS  43           QE       LYS  43   3.975 -10.261   9.154
  476    QZ   LYS  43           QZ       LYS  43   4.099  -9.145   7.199
  477    H    PHE  44           H        PHE  44  -2.379  -6.628  10.134
  478    HA   PHE  44           HA       PHE  44  -3.098  -5.399   7.714
  479   1HB   PHE  44          1HB       PHE  44  -4.643  -6.194   9.534
  480   2HB   PHE  44          2HB       PHE  44  -4.184  -4.810  10.492
  481    HD1  PHE  44          1HD       PHE  44  -5.102  -5.079   6.842
  482    HD2  PHE  44          2HD       PHE  44  -6.027  -3.385  10.689
  483    HE1  PHE  44          1HE       PHE  44  -7.109  -3.995   5.876
  484    HE2  PHE  44          2HE       PHE  44  -7.970  -2.199   9.681
  485   1HZ   PHE  44           HZ       PHE  44  -8.544  -2.553   7.296
  486    QB   PHE  44           QB       PHE  44  -4.414  -5.502  10.013
  487    QG   PHE  44           QD       PHE  44  -5.565  -4.232   8.765
  488    QZ   PHE  44           QE       PHE  44  -7.539  -3.097   7.779
  489    QZ   PHE  44           QR       PHE  44  -6.950  -3.442   8.077
  490    H    LYS  45           H        LYS  45  -1.716  -3.930  10.685
  491    HA   LYS  45           HA       LYS  45  -1.964  -1.224   9.763
  492   1HB   LYS  45          1HB       LYS  45  -0.076  -2.425  11.841
  493   2HB   LYS  45          2HB       LYS  45  -0.237  -0.710  11.535
  494   1HG   LYS  45          1HG       LYS  45  -2.512  -2.522  12.454
  495   2HG   LYS  45          2HG       LYS  45  -1.536  -1.512  13.508
  496   1HD   LYS  45          1HD       LYS  45  -3.253  -0.420  11.227
  497   2HD   LYS  45          2HD       LYS  45  -3.803  -0.533  12.872
  498   1HE   LYS  45          1HE       LYS  45  -1.258   0.979  12.143
  499   2HE   LYS  45          2HE       LYS  45  -2.849   1.736  12.067
  500   1HZ   LYS  45          3HZ       LYS  45  -1.862   0.472  14.532
  501   2HZ   LYS  45          1HZ       LYS  45  -1.647   2.080  14.171
  502   3HZ   LYS  45          2HZ       LYS  45  -3.152   1.451  14.351
  503    QB   LYS  45           QB       LYS  45  -0.157  -1.567  11.688
  504    QG   LYS  45           QG       LYS  45  -2.024  -2.017  12.981
  505    QD   LYS  45           QD       LYS  45  -3.528  -0.477  12.049
  506    QE   LYS  45           QE       LYS  45  -2.054   1.357  12.105
  507    QZ   LYS  45           QZ       LYS  45  -2.220   1.334  14.351
  508    H    GLU  46           H        GLU  46   0.597  -3.735   9.019
  509    HA   GLU  46           HA       GLU  46   2.489  -1.967   8.122
  510   1HB   GLU  46          1HB       GLU  46   2.265  -4.563   8.889
  511   2HB   GLU  46          2HB       GLU  46   1.831  -4.792   7.199
  512   1HG   GLU  46          1HG       GLU  46   3.799  -3.571   6.617
  513   2HG   GLU  46          2HG       GLU  46   4.430  -3.666   8.258
  514    QB   GLU  46           QB       GLU  46   2.048  -4.678   8.044
  515    QG   GLU  46           QG       GLU  46   4.115  -3.618   7.437
  516    H    ILE  47           H        ILE  47  -0.189  -3.841   6.684
  517    HA   ILE  47           HA       ILE  47   0.028  -2.810   3.997
  518    HB   ILE  47           HB       ILE  47  -2.402  -3.910   5.493
  519   1HG1  ILE  47          1HG1      ILE  47  -0.339  -4.983   3.552
  520   2HG1  ILE  47          2HG1      ILE  47  -0.863  -5.622   5.112
  521   1HG2  ILE  47          3HG2      ILE  47  -2.236  -3.036   2.595
  522   2HG2  ILE  47          1HG2      ILE  47  -3.598  -3.924   3.325
  523   3HG2  ILE  47          2HG2      ILE  47  -3.247  -2.301   3.849
  524   1HD1  ILE  47          3HD1      ILE  47  -3.081  -6.169   4.050
  525   2HD1  ILE  47          1HD1      ILE  47  -2.369  -5.704   2.488
  526   3HD1  ILE  47          2HD1      ILE  47  -1.680  -7.054   3.379
  527    QG1  ILE  47           QG1      ILE  47  -0.601  -5.302   4.332
  528    QG2  ILE  47           QG2      ILE  47  -3.027  -3.087   3.256
  529    QD1  ILE  47           QD1      ILE  47  -2.377  -6.309   3.306
  530    H    ALA  48           H        ALA  48  -1.982  -1.647   6.769
  531    HA   ALA  48           HA       ALA  48  -3.345   0.271   5.269
  532   1HB   ALA  48          2HB       ALA  48  -3.957  -0.636   7.551
  533   2HB   ALA  48          3HB       ALA  48  -2.706   0.416   8.249
  534   3HB   ALA  48          1HB       ALA  48  -4.095   1.119   7.396
  535    QB   ALA  48           QB       ALA  48  -3.586   0.300   7.732
  536    H    GLU  49           H        GLU  49  -0.233   0.493   6.991
  537    HA   GLU  49           HA       GLU  49  -0.055   3.355   6.797
  538   1HB   GLU  49          1HB       GLU  49   1.296   1.822   8.376
  539   2HB   GLU  49          2HB       GLU  49   2.347   1.520   6.975
  540   1HG   GLU  49          1HG       GLU  49   2.389   4.157   6.787
  541   2HG   GLU  49          2HG       GLU  49   1.765   4.128   8.439
  542    QB   GLU  49           QB       GLU  49   1.822   1.671   7.675
  543    QG   GLU  49           QG       GLU  49   2.077   4.143   7.613
  544    H    ALA  50           H        ALA  50   1.020   0.639   4.746
  545    HA   ALA  50           HA       ALA  50   2.422   2.256   2.778
  546   1HB   ALA  50          3HB       ALA  50   2.844  -0.174   3.186
  547   2HB   ALA  50          1HB       ALA  50   1.225  -0.547   2.575
  548   3HB   ALA  50          2HB       ALA  50   2.416   0.176   1.492
  549    QB   ALA  50           QB       ALA  50   2.162  -0.181   2.418
  550    H    TYR  51           H        TYR  51  -0.821   1.070   3.308
  551    HA   TYR  51           HA       TYR  51  -2.020   1.300   0.779
  552   1HB   TYR  51          1HB       TYR  51  -2.782   0.244   3.047
  553   2HB   TYR  51          2HB       TYR  51  -3.414   1.822   3.432
  554    HD1  TYR  51          2HD       TYR  51  -5.331   2.728   2.136
  555    HD2  TYR  51          1HD       TYR  51  -3.830  -1.274   1.652
  556    HE1  TYR  51          2HE       TYR  51  -7.557   2.001   1.332
  557    HE2  TYR  51          1HE       TYR  51  -6.011  -2.023   0.842
  558    HH   TYR  51           HH       TYR  51  -8.116  -1.327   0.152
  559    QB   TYR  51           QB       TYR  51  -3.098   1.033   3.239
  560    QG   TYR  51           QD       TYR  51  -4.580   0.727   1.894
  561    QZ   TYR  51           QE       TYR  51  -6.784  -0.011   1.087
  562    QR   TYR  51           QR       TYR  51  -5.682   0.358   1.490
  563    H    ASP  52           H        ASP  52  -1.892   3.593   3.515
  564    HA   ASP  52           HA       ASP  52  -3.396   5.723   2.589
  565   1HB   ASP  52          1HB       ASP  52  -2.386   5.371   4.849
  566   2HB   ASP  52          2HB       ASP  52  -0.809   5.789   4.177
  567    QB   ASP  52           QB       ASP  52  -1.597   5.580   4.513
  568    H    VAL  53           H        VAL  53   0.018   5.034   1.968
  569    HA   VAL  53           HA       VAL  53   0.388   7.443   0.318
  570    HB   VAL  53           HB       VAL  53   2.161   5.155   1.244
  571   1HG1  VAL  53          2HG1      VAL  53   2.905   7.373  -0.704
  572   2HG1  VAL  53          3HG1      VAL  53   4.086   6.401   0.198
  573   3HG1  VAL  53          1HG1      VAL  53   3.008   5.615  -0.968
  574   1HG2  VAL  53          3HG2      VAL  53   1.571   7.058   2.790
  575   2HG2  VAL  53          1HG2      VAL  53   3.295   6.973   2.436
  576   3HG2  VAL  53          2HG2      VAL  53   2.297   8.169   1.596
  577    QG1  VAL  53           QG1      VAL  53   3.333   6.463  -0.492
  578    QG2  VAL  53           QG2      VAL  53   2.388   7.400   2.274
  579    QQG  VAL  53           QQG      VAL  53   2.860   6.932   0.891
  580    H    LEU  54           H        LEU  54   0.279   3.875  -0.257
  581    HA   LEU  54           HA       LEU  54   0.824   4.072  -3.081
  582   1HB   LEU  54          1HB       LEU  54   1.279   2.220  -1.413
  583   2HB   LEU  54          2HB       LEU  54  -0.440   1.835  -1.484
  584    HG   LEU  54           HG       LEU  54  -0.223   1.247  -3.837
  585   1HD1  LEU  54          3HD1      LEU  54   2.730   2.011  -3.558
  586   2HD1  LEU  54          1HD1      LEU  54   1.999   1.174  -4.943
  587   3HD1  LEU  54          2HD1      LEU  54   1.549   2.833  -4.608
  588   1HD2  LEU  54          2HD2      LEU  54   0.453  -0.361  -1.998
  589   2HD2  LEU  54          3HD2      LEU  54   1.225  -0.713  -3.561
  590   3HD2  LEU  54          1HD2      LEU  54   2.127   0.094  -2.258
  591    QB   LEU  54           QB       LEU  54   0.419   2.028  -1.449
  592    QD1  LEU  54           QD1      LEU  54   2.093   2.006  -4.370
  593    QD2  LEU  54           QD2      LEU  54   1.269  -0.327  -2.605
  594    QQD  LEU  54           QQD      LEU  54   1.681   0.840  -3.488
  595    H    SER  55           H        SER  55  -2.171   4.464  -1.287
  596    HA   SER  55           HA       SER  55  -3.677   4.367  -3.832
  597   1HB   SER  55          1HB       SER  55  -5.643   4.766  -2.454
  598   2HB   SER  55          2HB       SER  55  -4.733   3.340  -1.960
  599    HG   SER  55           HG       SER  55  -3.867   4.529  -0.230
  600    QB   SER  55           QB       SER  55  -5.188   4.053  -2.207
  601    H    ASP  56           H        ASP  56  -1.584   6.693  -2.603
  602    HA   ASP  56           HA       ASP  56  -3.429   8.938  -3.222
  603   1HB   ASP  56          1HB       ASP  56  -3.084   8.863  -0.909
  604   2HB   ASP  56          2HB       ASP  56  -1.327   8.680  -1.113
  605    QB   ASP  56           QB       ASP  56  -2.205   8.771  -1.011
  606    HA   PRO  57           HA       PRO  57  -0.034   9.832  -6.133
  607   1HB   PRO  57          1HB       PRO  57  -1.529  11.255  -7.992
  608   2HB   PRO  57          2HB       PRO  57  -1.544   9.485  -7.887
  609   1HG   PRO  57          1HG       PRO  57  -3.499  11.427  -6.623
  610   2HG   PRO  57          2HG       PRO  57  -3.864  10.006  -7.658
  611   1HD   PRO  57          1HD       PRO  57  -3.936   9.868  -4.959
  612   2HD   PRO  57          2HD       PRO  57  -3.316   8.497  -5.924
  613    QB   PRO  57           QB       PRO  57  -1.536  10.370  -7.940
  614    QG   PRO  57           QG       PRO  57  -3.682  10.717  -7.141
  615    QD   PRO  57           QD       PRO  57  -3.626   9.182  -5.442
  616    H    ARG  58           H        ARG  58  -0.331  11.206  -3.640
  617    HA   ARG  58           HA       ARG  58   0.878  13.753  -4.575
  618   1HB   ARG  58          1HB       ARG  58  -1.002  13.589  -2.174
  619   2HB   ARG  58          2HB       ARG  58   0.111  14.906  -2.509
  620   1HG   ARG  58          1HG       ARG  58  -1.814  15.788  -3.345
  621   2HG   ARG  58          2HG       ARG  58  -1.123  15.081  -4.810
  622   1HD   ARG  58          1HD       ARG  58  -2.587  13.056  -4.424
  623   2HD   ARG  58          2HD       ARG  58  -3.219  13.845  -2.983
  624    HE   ARG  58           HE       ARG  58  -4.539  15.176  -4.240
  625   1HH1  ARG  58          2HH2      ARG  58  -2.061  13.856  -6.466
  626   2HH1  ARG  58          1HH2      ARG  58  -2.977  14.157  -7.892
  627   1HH2  ARG  58          2HH1      ARG  58  -5.747  15.553  -6.102
  628   2HH2  ARG  58          1HH1      ARG  58  -5.173  15.173  -7.695
  629    QB   ARG  58           QB       ARG  58  -0.446  14.247  -2.342
  630    QG   ARG  58           QG       ARG  58  -1.468  15.435  -4.077
  631    QD   ARG  58           QD       ARG  58  -2.903  13.450  -3.704
  632    QH1  ARG  58           QH2      ARG  58  -2.519  14.006  -7.179
  633    QH2  ARG  58           QH1      ARG  58  -5.460  15.363  -6.899
  634    H    LYS  59           H        LYS  59   0.351  11.782  -1.512
  635    HA   LYS  59           HA       LYS  59   3.024  12.512  -0.780
  636   1HB   LYS  59          1HB       LYS  59   1.056  11.891   0.735
  637   2HB   LYS  59          2HB       LYS  59   1.451  10.195   0.404
  638   1HG   LYS  59          1HG       LYS  59   3.606  10.426   1.454
  639   2HG   LYS  59          2HG       LYS  59   3.518  12.186   1.431
  640   1HD   LYS  59          1HD       LYS  59   3.156  11.461   3.704
  641   2HD   LYS  59          2HD       LYS  59   1.678  12.159   3.059
  642   1HE   LYS  59          1HE       LYS  59   1.014   9.694   2.500
  643   2HE   LYS  59          2HE       LYS  59   2.313   9.243   3.619
  644   1HZ   LYS  59          2HZ       LYS  59   0.000  10.948   4.265
  645   2HZ   LYS  59          3HZ       LYS  59   0.101   9.367   4.599
  646   3HZ   LYS  59          1HZ       LYS  59   1.152  10.424   5.348
  647    QB   LYS  59           QB       LYS  59   1.254  11.043   0.570
  648    QG   LYS  59           QG       LYS  59   3.562  11.306   1.442
  649    QD   LYS  59           QD       LYS  59   2.417  11.810   3.382
  650    QE   LYS  59           QE       LYS  59   1.664   9.468   3.060
  651    QZ   LYS  59           QZ       LYS  59   0.418  10.246   4.738
  652    H    ARG  60           H        ARG  60   1.743   9.505  -2.596
  653    HA   ARG  60           HA       ARG  60   4.343   8.504  -2.660
  654   1HB   ARG  60          1HB       ARG  60   1.915   7.481  -3.330
  655   2HB   ARG  60          2HB       ARG  60   2.486   7.916  -4.958
  656   1HG   ARG  60          1HG       ARG  60   4.625   6.750  -4.497
  657   2HG   ARG  60          2HG       ARG  60   4.061   6.505  -2.822
  658   1HD   ARG  60          1HD       ARG  60   2.635   4.799  -3.402
  659   2HD   ARG  60          2HD       ARG  60   2.557   5.283  -5.112
  660    HE   ARG  60           HE       ARG  60   4.635   4.346  -5.535
  661   1HH1  ARG  60          2HH2      ARG  60   4.216   4.319  -2.023
  662   2HH1  ARG  60          1HH2      ARG  60   5.552   3.226  -1.778
  663   1HH2  ARG  60          2HH1      ARG  60   6.107   2.551  -5.146
  664   2HH2  ARG  60          1HH1      ARG  60   6.522   2.106  -3.529
  665    QB   ARG  60           QB       ARG  60   2.200   7.699  -4.144
  666    QG   ARG  60           QG       ARG  60   4.343   6.627  -3.660
  667    QD   ARG  60           QD       ARG  60   2.596   5.041  -4.257
  668    QH1  ARG  60           QH2      ARG  60   4.884   3.773  -1.901
  669    QH2  ARG  60           QH1      ARG  60   6.314   2.328  -4.337
  670    H    GLU  61           H        GLU  61   3.193  11.356  -4.236
  671    HA   GLU  61           HA       GLU  61   4.800  11.030  -6.642
  672   1HB   GLU  61          1HB       GLU  61   2.675  12.505  -6.088
  673   2HB   GLU  61          2HB       GLU  61   3.854  13.625  -5.381
  674   1HG   GLU  61          1HG       GLU  61   4.998  13.781  -7.524
  675   2HG   GLU  61          2HG       GLU  61   3.903  12.574  -8.222
  676    QB   GLU  61           QB       GLU  61   3.265  13.065  -5.734
  677    QG   GLU  61           QG       GLU  61   4.451  13.177  -7.873
  678    H    ILE  62           H        ILE  62   5.248  12.251  -3.362
  679    HA   ILE  62           HA       ILE  62   7.913  13.335  -3.782
  680    HB   ILE  62           HB       ILE  62   6.492  12.370  -1.232
  681   1HG1  ILE  62          1HG1      ILE  62   6.744  15.127  -2.535
  682   2HG1  ILE  62          2HG1      ILE  62   5.259  14.187  -2.372
  683   1HG2  ILE  62          2HG2      ILE  62   8.970  12.476  -0.988
  684   2HG2  ILE  62          3HG2      ILE  62   8.930  14.182  -1.486
  685   3HG2  ILE  62          1HG2      ILE  62   8.153  13.649   0.015
  686   1HD1  ILE  62          3HD1      ILE  62   5.446  14.374   0.111
  687   2HD1  ILE  62          1HD1      ILE  62   6.827  15.483  -0.126
  688   3HD1  ILE  62          2HD1      ILE  62   5.229  15.923  -0.733
  689    QG1  ILE  62           QG1      ILE  62   6.001  14.657  -2.453
  690    QG2  ILE  62           QG2      ILE  62   8.685  13.436  -0.820
  691    QD1  ILE  62           QD1      ILE  62   5.834  15.260  -0.249
  692    H    PHE  63           H        PHE  63   6.535  10.292  -2.567
  693    HA   PHE  63           HA       PHE  63   8.899   8.833  -2.071
  694   1HB   PHE  63          1HB       PHE  63   6.440   8.371  -1.491
  695   2HB   PHE  63          2HB       PHE  63   6.267   7.800  -3.147
  696    HD1  PHE  63          2HD       PHE  63   7.780   5.883  -3.966
  697    HD2  PHE  63          1HD       PHE  63   7.007   6.829   0.180
  698    HE1  PHE  63          2HE       PHE  63   8.348   3.593  -3.329
  699    HE2  PHE  63          1HE       PHE  63   7.530   4.486   0.808
  700   1HZ   PHE  63           HZ       PHE  63   8.261   2.898  -0.926
  701    QB   PHE  63           QB       PHE  63   6.353   8.085  -2.319
  702    QG   PHE  63           QD       PHE  63   7.394   6.356  -1.893
  703    QZ   PHE  63           QE       PHE  63   7.939   4.039  -1.261
  704    QZ   PHE  63           QR       PHE  63   7.785   4.738  -1.447
  705    H    ASP  64           H        ASP  64   7.055   9.290  -5.143
  706    HA   ASP  64           HA       ASP  64   8.472   7.421  -6.698
  707   1HB   ASP  64          1HB       ASP  64   6.389   9.350  -7.079
  708   2HB   ASP  64          2HB       ASP  64   7.566   9.715  -8.286
  709    QB   ASP  64           QB       ASP  64   6.978   9.532  -7.683
  710    H    ARG  65           H        ARG  65   9.260  10.688  -5.772
  711    HA   ARG  65           HA       ARG  65  11.524  11.043  -7.614
  712   1HB   ARG  65          1HB       ARG  65  10.383  13.002  -7.124
  713   2HB   ARG  65          2HB       ARG  65  10.193  12.579  -5.455
  714   1HG   ARG  65          1HG       ARG  65  11.577  14.268  -5.279
  715   2HG   ARG  65          2HG       ARG  65  12.761  12.979  -5.182
  716   1HD   ARG  65          1HD       ARG  65  12.081  14.356  -7.812
  717   2HD   ARG  65          2HD       ARG  65  13.155  15.123  -6.640
  718    HE   ARG  65           HE       ARG  65  14.212  12.574  -6.970
  719   1HH1  ARG  65          2HH2      ARG  65  13.611  15.376  -9.108
  720   2HH1  ARG  65          1HH2      ARG  65  14.831  14.876 -10.249
  721   1HH2  ARG  65          2HH1      ARG  65  15.836  12.091  -8.263
  722   2HH2  ARG  65          1HH1      ARG  65  16.281  13.008  -9.677
  723    QB   ARG  65           QB       ARG  65  10.288  12.790  -6.289
  724    QG   ARG  65           QG       ARG  65  12.169  13.623  -5.230
  725    QD   ARG  65           QD       ARG  65  12.618  14.739  -7.226
  726    QH1  ARG  65           QH2      ARG  65  14.221  15.126  -9.678
  727    QH2  ARG  65           QH1      ARG  65  16.059  12.550  -8.970
  728    H    TYR  66           H        TYR  66  11.304  10.931  -4.007
  729    HA   TYR  66           HA       TYR  66  14.182  10.444  -3.976
  730   1HB   TYR  66          1HB       TYR  66  12.240  10.603  -1.663
  731   2HB   TYR  66          2HB       TYR  66  13.991  10.694  -1.567
  732    HD1  TYR  66          1HD       TYR  66  15.240  12.623  -2.547
  733    HD2  TYR  66          2HD       TYR  66  10.949  12.595  -2.148
  734    HE1  TYR  66          1HE       TYR  66  15.191  15.063  -2.908
  735    HE2  TYR  66          2HE       TYR  66  10.884  15.029  -2.527
  736    HH   TYR  66           HH       TYR  66  12.091  16.863  -3.180
  737    QB   TYR  66           QB       TYR  66  13.115  10.648  -1.615
  738    QG   TYR  66           QD       TYR  66  13.095  12.609  -2.348
  739    QZ   TYR  66           QE       TYR  66  13.037  15.046  -2.718
  740    QR   TYR  66           QR       TYR  66  13.066  13.828  -2.533
  741    H    GLY  67           H        GLY  67  11.519   8.252  -3.976
  742   1HA   GLY  67          1HA       GLY  67  11.505   5.963  -3.623
  743   2HA   GLY  67          2HA       GLY  67  13.130   6.033  -2.907
  744    QA   GLY  67           QA       GLY  67  12.317   5.998  -3.265
  745    H    GLU  68           H        GLU  68  11.844   4.686  -1.327
  746    HA   GLU  68           HA       GLU  68   9.860   5.678   0.399
  747   1HB   GLU  68          1HB       GLU  68  10.675   3.290   0.168
  748   2HB   GLU  68          2HB       GLU  68  12.143   3.757   1.024
  749   1HG   GLU  68          1HG       GLU  68  10.447   4.567   2.909
  750   2HG   GLU  68          2HG       GLU  68   9.309   3.520   2.076
  751    QB   GLU  68           QB       GLU  68  11.409   3.524   0.596
  752    QG   GLU  68           QG       GLU  68   9.878   4.043   2.493
  753    H    GLU  69           H        GLU  69  13.386   5.957   0.566
  754    HA   GLU  69           HA       GLU  69  13.455   7.056   3.197
  755   1HB   GLU  69          1HB       GLU  69  15.830   7.237   2.807
  756   2HB   GLU  69          2HB       GLU  69  15.188   5.700   2.248
  757   1HG   GLU  69          1HG       GLU  69  15.136   6.838  -0.114
  758   2HG   GLU  69          2HG       GLU  69  16.227   8.022   0.606
  759    QB   GLU  69           QB       GLU  69  15.509   6.468   2.528
  760    QG   GLU  69           QG       GLU  69  15.681   7.430   0.246
  761    H    GLY  70           H        GLY  70  12.174   8.598   0.575
  762   1HA   GLY  70          1HA       GLY  70  12.896  11.279   1.705
  763   2HA   GLY  70          2HA       GLY  70  12.413  11.101   0.142
  764    QA   GLY  70           QA       GLY  70  12.655  11.190   0.924
  765    H    LEU  71           H        LEU  71  10.640   9.030   2.332
  766    HA   LEU  71           HA       LEU  71   8.204  10.167   1.482
  767   1HB   LEU  71          1HB       LEU  71   8.351   7.869   2.388
  768   2HB   LEU  71          2HB       LEU  71   8.807   8.514   3.971
  769    HG   LEU  71           HG       LEU  71   6.564   9.672   4.117
  770   1HD1  LEU  71          3HD1      LEU  71   5.897   8.022   1.645
  771   2HD1  LEU  71          1HD1      LEU  71   4.765   8.945   2.639
  772   3HD1  LEU  71          2HD1      LEU  71   5.994   9.798   1.697
  773   1HD2  LEU  71          3HD2      LEU  71   6.664   6.662   3.817
  774   2HD2  LEU  71          1HD2      LEU  71   6.855   7.634   5.280
  775   3HD2  LEU  71          2HD2      LEU  71   5.277   7.556   4.498
  776    QB   LEU  71           QB       LEU  71   8.579   8.191   3.180
  777    QD1  LEU  71           QD1      LEU  71   5.552   8.921   1.994
  778    QD2  LEU  71           QD2      LEU  71   6.265   7.284   4.531
  779    QQD  LEU  71           QQD      LEU  71   5.909   8.103   3.263
  780    H    LYS  72           H        LYS  72   7.056  11.839   2.165
  781    HA   LYS  72           HA       LYS  72   8.025  13.658   4.175
  782   1HB   LYS  72          1HB       LYS  72   7.022  14.373   2.058
  783   2HB   LYS  72          2HB       LYS  72   5.492  13.602   2.480
  784   1HG   LYS  72          1HG       LYS  72   5.453  16.023   2.705
  785   2HG   LYS  72          2HG       LYS  72   5.090  15.241   4.221
  786   1HD   LYS  72          1HD       LYS  72   7.924  16.139   3.620
  787   2HD   LYS  72          2HD       LYS  72   6.735  17.332   4.080
  788   1HE   LYS  72          1HE       LYS  72   7.501  14.917   5.789
  789   2HE   LYS  72          2HE       LYS  72   8.088  16.558   5.993
  790   1HZ   LYS  72          1HZ       LYS  72   5.822  17.277   6.414
  791   2HZ   LYS  72          2HZ       LYS  72   5.273  15.721   6.324
  792   3HZ   LYS  72          3HZ       LYS  72   6.323  16.147   7.497
  793    QB   LYS  72           QB       LYS  72   6.257  13.988   2.269
  794    QG   LYS  72           QG       LYS  72   5.272  15.632   3.463
  795    QD   LYS  72           QD       LYS  72   7.329  16.735   3.850
  796    QE   LYS  72           QE       LYS  72   7.795  15.737   5.891
  797    QZ   LYS  72           QZ       LYS  72   5.806  16.382   6.745
  798    H    GLY  73           H        GLY  73   8.043  12.092   5.890
  799   1HA   GLY  73          1HA       GLY  73   5.834  10.825   7.099
  800   2HA   GLY  73          2HA       GLY  73   7.299  11.382   7.940
  801    QA   GLY  73           QA       GLY  73   6.566  11.104   7.520
  802    H    SER  74           H        SER  74   3.990  11.777   7.891
  803    HA   SER  74           HA       SER  74   4.099  14.487   9.076
  804   1HB   SER  74          1HB       SER  74   2.022  13.685   6.994
  805   2HB   SER  74          2HB       SER  74   2.294  15.279   7.705
  806    HG   SER  74           HG       SER  74   3.952  13.835   5.895
  807    QB   SER  74           QB       SER  74   2.158  14.482   7.349
  808    H    GLY  75           H        GLY  75   2.070  14.929  10.299
  809   1HA   GLY  75          1HA       GLY  75   0.538  12.509  11.131
  810   2HA   GLY  75          2HA       GLY  75   0.579  14.062  11.995
  811    QA   GLY  75           QA       GLY  75   0.559  13.285  11.563
  812    H    CYS  76           H        CYS  76  -1.705  12.681  10.751
  813    HA   CYS  76           HA       CYS  76  -2.906  14.877   9.340
  814   1HB   CYS  76          1HB       CYS  76  -2.997  12.136   8.000
  815   2HB   CYS  76          2HB       CYS  76  -3.747  13.631   7.469
  816    HG   CYS  76           HG       CYS  76  -1.495  14.954   7.004
  817    QB   CYS  76           QB       CYS  76  -3.372  12.884   7.734
   
  No H/Q in entry =         817
  Start of MODEL   18
    1    H    MET   0           H        MET   0  15.869   0.090  -0.014
    2    HA   MET   0           HA       MET   0  14.211   1.181   1.453
    3   1HB   MET   0          1HB       MET   0  12.250  -0.145   0.845
    4   2HB   MET   0          2HB       MET   0  13.324   0.170  -0.506
    5   1HG   MET   0          1HG       MET   0  13.183  -2.491   0.963
    6   2HG   MET   0          2HG       MET   0  12.284  -2.103  -0.463
    7   1HE   MET   0          3HE       MET   0  13.094  -2.219  -2.867
    8   2HE   MET   0          1HE       MET   0  14.025  -0.737  -2.553
    9   3HE   MET   0          2HE       MET   0  14.802  -2.125  -3.345
   10    QB   MET   0           QB       MET   0  12.787   0.013   0.170
   11    QG   MET   0           QG       MET   0  12.734  -2.297   0.250
   12    QE   MET   0           QE       MET   0  13.973  -1.694  -2.922
   13    H    GLY   1           H        GLY   1  14.451   1.444   3.673
   14   1HA   GLY   1          1HA       GLY   1  14.545  -0.809   5.454
   15   2HA   GLY   1          2HA       GLY   1  14.166   0.866   5.879
   16    QA   GLY   1           QA       GLY   1  14.355   0.029   5.666
   17    H    LYS   2           H        LYS   2  11.957   0.973   3.822
   18    HA   LYS   2           HA       LYS   2   9.961  -0.983   4.737
   19   1HB   LYS   2          1HB       LYS   2   9.863   0.930   6.321
   20   2HB   LYS   2          2HB       LYS   2   9.634   2.049   4.969
   21   1HG   LYS   2          1HG       LYS   2   7.465   0.902   4.453
   22   2HG   LYS   2          2HG       LYS   2   7.738  -0.174   5.840
   23   1HD   LYS   2          1HD       LYS   2   7.855   1.888   7.325
   24   2HD   LYS   2          2HD       LYS   2   7.467   2.867   5.910
   25   1HE   LYS   2          1HE       LYS   2   5.373   2.573   6.965
   26   2HE   LYS   2          2HE       LYS   2   5.365   1.370   5.663
   27   1HZ   LYS   2          2HZ       LYS   2   6.447   0.040   7.784
   28   2HZ   LYS   2          3HZ       LYS   2   5.266   0.941   8.486
   29   3HZ   LYS   2          1HZ       LYS   2   4.925  -0.088   7.250
   30    QB   LYS   2           QB       LYS   2   9.749   1.489   5.645
   31    QG   LYS   2           QG       LYS   2   7.602   0.364   5.147
   32    QD   LYS   2           QD       LYS   2   7.661   2.378   6.618
   33    QE   LYS   2           QE       LYS   2   5.369   1.971   6.314
   34    QZ   LYS   2           QZ       LYS   2   5.546   0.298   7.840
   35    H    ASP   3           H        ASP   3   8.433  -1.299   3.023
   36    HA   ASP   3           HA       ASP   3   8.744   0.390   0.644
   37   1HB   ASP   3          1HB       ASP   3   8.713  -1.410  -0.748
   38   2HB   ASP   3          2HB       ASP   3   9.871  -1.923   0.474
   39    QB   ASP   3           QB       ASP   3   9.292  -1.666  -0.137
   40    H    TYR   4           H        TYR   4   6.789   0.046  -0.728
   41    HA   TYR   4           HA       TYR   4   4.355   0.059   1.016
   42   1HB   TYR   4          1HB       TYR   4   5.205   2.154  -1.015
   43   2HB   TYR   4          2HB       TYR   4   3.599   2.015  -0.349
   44    HD1  TYR   4          2HD       TYR   4   7.189   2.263   1.018
   45    HD2  TYR   4          1HD       TYR   4   3.057   3.392   1.393
   46    HE1  TYR   4          2HE       TYR   4   7.707   3.387   3.121
   47    HE2  TYR   4          1HE       TYR   4   3.544   4.504   3.542
   48    HH   TYR   4           HH       TYR   4   6.820   4.600   4.993
   49    QB   TYR   4           QB       TYR   4   4.402   2.084  -0.682
   50    QG   TYR   4           QD       TYR   4   5.123   2.828   1.205
   51    QZ   TYR   4           QE       TYR   4   5.625   3.946   3.331
   52    QR   TYR   4           QR       TYR   4   5.374   3.387   2.268
   53    H    TYR   5           H        TYR   5   5.556  -0.102  -2.425
   54    HA   TYR   5           HA       TYR   5   3.160  -1.052  -3.522
   55   1HB   TYR   5          1HB       TYR   5   6.089  -1.177  -4.270
   56   2HB   TYR   5          2HB       TYR   5   4.974  -2.217  -5.117
   57    HD1  TYR   5          2HD       TYR   5   2.593  -0.829  -5.685
   58    HD2  TYR   5          1HD       TYR   5   6.626   0.680  -5.658
   59    HE1  TYR   5          2HE       TYR   5   1.950   0.906  -7.319
   60    HE2  TYR   5          1HE       TYR   5   5.972   2.448  -7.283
   61    HH   TYR   5           HH       TYR   5   4.233   3.279  -8.678
   62    QB   TYR   5           QB       TYR   5   5.532  -1.697  -4.694
   63    QG   TYR   5           QD       TYR   5   4.610  -0.075  -5.672
   64    QZ   TYR   5           QE       TYR   5   3.961   1.677  -7.301
   65    QR   TYR   5           QR       TYR   5   4.285   0.801  -6.486
   66    H    GLN   6           H        GLN   6   5.977  -3.000  -2.245
   67    HA   GLN   6           HA       GLN   6   4.576  -5.413  -2.965
   68   1HB   GLN   6          1HB       GLN   6   7.139  -4.953  -2.889
   69   2HB   GLN   6          2HB       GLN   6   6.998  -5.148  -1.148
   70   1HG   GLN   6          1HG       GLN   6   5.880  -7.484  -1.862
   71   2HG   GLN   6          2HG       GLN   6   6.857  -7.204  -3.305
   72   1HE2  GLN   6          2HE2      GLN   6   8.667  -7.769   0.384
   73   2HE2  GLN   6          1HE2      GLN   6   6.924  -7.721   0.198
   74    QB   GLN   6           QB       GLN   6   7.068  -5.050  -2.019
   75    QG   GLN   6           QG       GLN   6   6.368  -7.344  -2.583
   76    QE2  GLN   6           QE2      GLN   6   7.796  -7.745   0.291
   77    H    THR   7           H        THR   7   4.876  -3.440  -0.024
   78    HA   THR   7           HA       THR   7   3.641  -5.198   1.764
   79    HB   THR   7           HB       THR   7   3.496  -2.169   1.577
   80    HG1  THR   7          1HG       THR   7   5.392  -2.249   2.552
   81   1HG2  THR   7          1HG2      THR   7   2.959  -4.009   3.945
   82   2HG2  THR   7          2HG2      THR   7   3.237  -2.262   4.075
   83   3HG2  THR   7          3HG2      THR   7   1.818  -2.864   3.207
   84    QG2  THR   7           QG2      THR   7   2.671  -3.045   3.742
   85    H    LEU   8           H        LEU   8   2.163  -3.516  -0.897
   86    HA   LEU   8           HA       LEU   8  -0.514  -4.539  -0.115
   87   1HB   LEU   8          1HB       LEU   8  -0.086  -2.146  -1.027
   88   2HB   LEU   8          2HB       LEU   8   0.084  -2.929  -2.595
   89    HG   LEU   8           HG       LEU   8  -2.265  -3.859  -2.314
   90   1HD1  LEU   8          2HD1      LEU   8  -2.218  -2.120   0.184
   91   2HD1  LEU   8          3HD1      LEU   8  -3.698  -2.773  -0.544
   92   3HD1  LEU   8          1HD1      LEU   8  -2.498  -3.866   0.103
   93   1HD2  LEU   8          1HD2      LEU   8  -1.820  -1.709  -3.527
   94   2HD2  LEU   8          2HD2      LEU   8  -3.420  -1.813  -2.799
   95   3HD2  LEU   8          3HD2      LEU   8  -2.166  -0.840  -2.019
   96    QB   LEU   8           QB       LEU   8  -0.001  -2.537  -1.811
   97    QD1  LEU   8           QD1      LEU   8  -2.805  -2.920  -0.086
   98    QD2  LEU   8           QD2      LEU   8  -2.469  -1.454  -2.781
   99    QQD  LEU   8           QQD      LEU   8  -2.637  -2.187  -1.434
  100    H    GLY   9           H        GLY   9   2.170  -5.707  -1.672
  101   1HA   GLY   9          1HA       GLY   9   2.295  -7.911  -2.434
  102   2HA   GLY   9          2HA       GLY   9   0.639  -7.838  -3.034
  103    QA   GLY   9           QA       GLY   9   1.467  -7.874  -2.734
  104    H    LEU  10           H        LEU  10   2.562  -5.047  -3.903
  105    HA   LEU  10           HA       LEU  10   2.365  -5.937  -6.726
  106   1HB   LEU  10          1HB       LEU  10   2.668  -3.225  -5.403
  107   2HB   LEU  10          2HB       LEU  10   2.568  -3.448  -7.128
  108    HG   LEU  10           HG       LEU  10   0.345  -4.540  -5.362
  109   1HD1  LEU  10          2HD1      LEU  10   0.729  -2.209  -4.696
  110   2HD1  LEU  10          3HD1      LEU  10   0.532  -1.704  -6.397
  111   3HD1  LEU  10          1HD1      LEU  10  -0.817  -2.468  -5.513
  112   1HD2  LEU  10          1HD2      LEU  10   0.497  -3.525  -8.233
  113   2HD2  LEU  10          2HD2      LEU  10   0.374  -5.212  -7.713
  114   3HD2  LEU  10          3HD2      LEU  10  -0.976  -4.085  -7.433
  115    QB   LEU  10           QB       LEU  10   2.618  -3.337  -6.265
  116    QD1  LEU  10           QD1      LEU  10   0.148  -2.127  -5.535
  117    QD2  LEU  10           QD2      LEU  10  -0.035  -4.274  -7.793
  118    QQD  LEU  10           QQD      LEU  10   0.056  -3.200  -6.664
  119    H    ALA  11           H        ALA  11   3.953  -5.082  -8.233
  120    HA   ALA  11           HA       ALA  11   6.749  -5.282  -7.334
  121   1HB   ALA  11          3HB       ALA  11   5.474  -4.663 -10.051
  122   2HB   ALA  11          1HB       ALA  11   7.208  -4.888  -9.757
  123   3HB   ALA  11          2HB       ALA  11   6.098  -6.245  -9.518
  124    QB   ALA  11           QB       ALA  11   6.260  -5.265  -9.775
  125    H    ARG  12           H        ARG  12   8.200  -3.601  -7.702
  126    HA   ARG  12           HA       ARG  12   7.297  -0.786  -7.583
  127   1HB   ARG  12          1HB       ARG  12  10.059  -2.062  -8.039
  128   2HB   ARG  12          2HB       ARG  12   9.730  -0.335  -7.945
  129   1HG   ARG  12          1HG       ARG  12  10.580  -0.886  -5.844
  130   2HG   ARG  12          2HG       ARG  12   8.844  -0.708  -5.588
  131   1HD   ARG  12          1HD       ARG  12   8.594  -3.179  -5.514
  132   2HD   ARG  12          2HD       ARG  12  10.318  -3.370  -5.921
  133    HE   ARG  12           HE       ARG  12   9.925  -1.709  -3.609
  134   1HH1  ARG  12          2HH2      ARG  12   9.507  -5.181  -4.375
  135   2HH1  ARG  12          1HH2      ARG  12   9.886  -5.678  -2.778
  136   1HH2  ARG  12          2HH1      ARG  12  10.737  -2.337  -1.755
  137   2HH2  ARG  12          1HH1      ARG  12  10.684  -3.998  -1.168
  138    QB   ARG  12           QB       ARG  12   9.895  -1.199  -7.992
  139    QG   ARG  12           QG       ARG  12   9.712  -0.797  -5.716
  140    QD   ARG  12           QD       ARG  12   9.456  -3.275  -5.718
  141    QH1  ARG  12           QH2      ARG  12   9.696  -5.430  -3.576
  142    QH2  ARG  12           QH1      ARG  12  10.710  -3.168  -1.461
  143    H    GLY  13           H        GLY  13   6.880   0.350  -9.526
  144   1HA   GLY  13          1HA       GLY  13   6.871   0.662 -11.842
  145   2HA   GLY  13          2HA       GLY  13   7.516  -0.957 -12.105
  146    QA   GLY  13           QA       GLY  13   7.194  -0.148 -11.973
  147    H    ALA  14           H        ALA  14   4.959  -1.093  -9.799
  148    HA   ALA  14           HA       ALA  14   2.867  -1.894 -11.683
  149   1HB   ALA  14          1HB       ALA  14   2.838  -1.155  -8.729
  150   2HB   ALA  14          2HB       ALA  14   1.460  -1.808  -9.641
  151   3HB   ALA  14          3HB       ALA  14   2.915  -2.792  -9.414
  152    QB   ALA  14           QB       ALA  14   2.404  -1.918  -9.261
  153    H    SER  15           H        SER  15   0.672  -0.498 -11.195
  154    HA   SER  15           HA       SER  15   1.225   2.392 -11.478
  155   1HB   SER  15          1HB       SER  15  -0.531   2.311 -13.357
  156   2HB   SER  15          2HB       SER  15   1.085   1.740 -13.757
  157    HG   SER  15           HG       SER  15  -0.774   0.395 -14.416
  158    QB   SER  15           QB       SER  15   0.277   2.026 -13.557
  159    H    ASP  16           H        ASP  16  -1.045   3.574 -11.414
  160    HA   ASP  16           HA       ASP  16  -1.951   2.885  -8.833
  161   1HB   ASP  16          1HB       ASP  16  -1.789   5.194  -9.898
  162   2HB   ASP  16          2HB       ASP  16  -3.349   4.848 -10.655
  163    QB   ASP  16           QB       ASP  16  -2.569   5.021 -10.276
  164    H    GLU  17           H        GLU  17  -3.190   2.039 -12.000
  165    HA   GLU  17           HA       GLU  17  -5.808   1.139 -10.961
  166   1HB   GLU  17          1HB       GLU  17  -5.238   2.008 -13.375
  167   2HB   GLU  17          2HB       GLU  17  -4.614   0.378 -13.642
  168   1HG   GLU  17          1HG       GLU  17  -6.864  -0.548 -13.033
  169   2HG   GLU  17          2HG       GLU  17  -7.444   1.080 -12.695
  170    QB   GLU  17           QB       GLU  17  -4.926   1.193 -13.508
  171    QG   GLU  17           QG       GLU  17  -7.154   0.266 -12.864
  172    H    GLU  18           H        GLU  18  -2.636  -0.027 -10.771
  173    HA   GLU  18           HA       GLU  18  -3.592  -2.781 -10.352
  174   1HB   GLU  18          1HB       GLU  18  -1.188  -1.702 -11.409
  175   2HB   GLU  18          2HB       GLU  18  -0.768  -2.242  -9.784
  176   1HG   GLU  18          1HG       GLU  18  -1.991  -4.415 -10.210
  177   2HG   GLU  18          2HG       GLU  18  -2.184  -3.931 -11.892
  178    QB   GLU  18           QB       GLU  18  -0.978  -1.972 -10.596
  179    QG   GLU  18           QG       GLU  18  -2.088  -4.173 -11.051
  180    H    ILE  19           H        ILE  19  -2.286   0.096  -8.770
  181    HA   ILE  19           HA       ILE  19  -2.042  -0.818  -6.109
  182    HB   ILE  19           HB       ILE  19  -2.780   1.902  -7.134
  183   1HG1  ILE  19          1HG1      ILE  19  -0.313   0.748  -5.738
  184   2HG1  ILE  19          2HG1      ILE  19  -0.470   0.930  -7.484
  185   1HG2  ILE  19          1HG2      ILE  19  -2.378   1.070  -4.234
  186   2HG2  ILE  19          2HG2      ILE  19  -2.509   2.734  -4.856
  187   3HG2  ILE  19          3HG2      ILE  19  -3.884   1.696  -4.945
  188   1HD1  ILE  19          3HD1      ILE  19  -0.775   3.400  -7.158
  189   2HD1  ILE  19          1HD1      ILE  19  -0.388   3.164  -5.445
  190   3HD1  ILE  19          2HD1      ILE  19   0.811   2.768  -6.677
  191    QG1  ILE  19           QG1      ILE  19  -0.392   0.839  -6.611
  192    QG2  ILE  19           QG2      ILE  19  -2.924   1.834  -4.678
  193    QD1  ILE  19           QD1      ILE  19  -0.117   3.111  -6.427
  194    H    LYS  20           H        LYS  20  -4.859   0.877  -7.526
  195    HA   LYS  20           HA       LYS  20  -6.698   0.285  -5.488
  196   1HB   LYS  20          1HB       LYS  20  -7.136   0.835  -8.445
  197   2HB   LYS  20          2HB       LYS  20  -8.447   0.699  -7.265
  198   1HG   LYS  20          1HG       LYS  20  -7.385   2.515  -5.894
  199   2HG   LYS  20          2HG       LYS  20  -6.154   2.719  -7.153
  200   1HD   LYS  20          1HD       LYS  20  -7.912   3.302  -8.785
  201   2HD   LYS  20          2HD       LYS  20  -9.159   3.033  -7.552
  202   1HE   LYS  20          1HE       LYS  20  -9.000   5.279  -7.295
  203   2HE   LYS  20          2HE       LYS  20  -7.689   4.818  -6.212
  204   1HZ   LYS  20          3HZ       LYS  20  -6.170   5.161  -8.143
  205   2HZ   LYS  20          1HZ       LYS  20  -7.438   5.768  -9.005
  206   3HZ   LYS  20          2HZ       LYS  20  -6.910   6.535  -7.687
  207    QB   LYS  20           QB       LYS  20  -7.792   0.767  -7.855
  208    QG   LYS  20           QG       LYS  20  -6.770   2.617  -6.524
  209    QD   LYS  20           QD       LYS  20  -8.535   3.167  -8.168
  210    QE   LYS  20           QE       LYS  20  -8.344   5.049  -6.753
  211    QZ   LYS  20           QZ       LYS  20  -6.839   5.822  -8.278
  212    H    ARG  21           H        ARG  21  -5.756  -1.737  -8.250
  213    HA   ARG  21           HA       ARG  21  -7.793  -3.710  -7.930
  214   1HB   ARG  21          1HB       ARG  21  -5.960  -3.143  -9.782
  215   2HB   ARG  21          2HB       ARG  21  -5.045  -4.407  -9.024
  216   1HG   ARG  21          1HG       ARG  21  -7.871  -4.562 -10.175
  217   2HG   ARG  21          2HG       ARG  21  -6.404  -5.038 -11.027
  218   1HD   ARG  21          1HD       ARG  21  -6.029  -6.909  -9.545
  219   2HD   ARG  21          2HD       ARG  21  -7.333  -6.379  -8.467
  220    HE   ARG  21           HE       ARG  21  -8.973  -6.940 -10.052
  221   1HH1  ARG  21          2HH2      ARG  21  -5.769  -7.671 -11.459
  222   2HH1  ARG  21          1HH2      ARG  21  -6.462  -8.543 -12.772
  223   1HH2  ARG  21          2HH1      ARG  21  -9.805  -7.937 -11.758
  224   2HH2  ARG  21          1HH1      ARG  21  -8.858  -8.869 -12.870
  225    QB   ARG  21           QB       ARG  21  -5.502  -3.775  -9.403
  226    QG   ARG  21           QG       ARG  21  -7.138  -4.800 -10.601
  227    QD   ARG  21           QD       ARG  21  -6.681  -6.644  -9.006
  228    QH1  ARG  21           QH2      ARG  21  -6.115  -8.107 -12.115
  229    QH2  ARG  21           QH1      ARG  21  -9.332  -8.403 -12.314
  230    H    ALA  22           H        ALA  22  -4.454  -3.450  -6.617
  231    HA   ALA  22           HA       ALA  22  -4.537  -5.968  -5.222
  232   1HB   ALA  22          1HB       ALA  22  -2.459  -4.981  -6.006
  233   2HB   ALA  22          2HB       ALA  22  -2.697  -3.582  -4.929
  234   3HB   ALA  22          3HB       ALA  22  -2.430  -5.204  -4.252
  235    QB   ALA  22           QB       ALA  22  -2.529  -4.589  -5.063
  236    H    TYR  23           H        TYR  23  -5.239  -2.565  -4.286
  237    HA   TYR  23           HA       TYR  23  -5.383  -2.485  -1.658
  238   1HB   TYR  23          1HB       TYR  23  -6.284  -1.096  -3.906
  239   2HB   TYR  23          2HB       TYR  23  -7.762  -1.449  -3.112
  240    HD1  TYR  23          2HD       TYR  23  -4.451   0.173  -2.765
  241    HD2  TYR  23          1HD       TYR  23  -8.539  -0.060  -1.374
  242    HE1  TYR  23          2HE       TYR  23  -4.120   2.258  -1.480
  243    HE2  TYR  23          1HE       TYR  23  -8.224   2.060  -0.131
  244    HH   TYR  23           HH       TYR  23  -5.078   3.705   0.098
  245    QB   TYR  23           QB       TYR  23  -7.023  -1.272  -3.509
  246    QG   TYR  23           QD       TYR  23  -6.495   0.057  -2.070
  247    QZ   TYR  23           QE       TYR  23  -6.172   2.159  -0.806
  248    QR   TYR  23           QR       TYR  23  -6.334   1.108  -1.438
  249    H    ARG  24           H        ARG  24  -8.300  -3.327  -3.486
  250    HA   ARG  24           HA       ARG  24  -9.815  -4.475  -1.417
  251   1HB   ARG  24          1HB       ARG  24 -11.070  -5.586  -3.309
  252   2HB   ARG  24          2HB       ARG  24 -10.876  -3.836  -3.445
  253   1HG   ARG  24          1HG       ARG  24  -8.972  -4.177  -5.029
  254   2HG   ARG  24          2HG       ARG  24  -9.238  -5.921  -4.959
  255   1HD   ARG  24          1HD       ARG  24 -11.314  -3.907  -5.867
  256   2HD   ARG  24          2HD       ARG  24 -10.161  -4.655  -6.952
  257    HE   ARG  24           HE       ARG  24 -12.536  -5.877  -5.800
  258   1HH1  ARG  24          2HH2      ARG  24  -9.369  -6.576  -7.206
  259   2HH1  ARG  24          1HH2      ARG  24  -9.853  -8.109  -7.892
  260   1HH2  ARG  24          2HH1      ARG  24 -13.185  -7.787  -6.670
  261   2HH2  ARG  24          1HH1      ARG  24 -12.161  -8.753  -7.724
  262    QB   ARG  24           QB       ARG  24 -10.973  -4.711  -3.377
  263    QG   ARG  24           QG       ARG  24  -9.105  -5.049  -4.994
  264    QD   ARG  24           QD       ARG  24 -10.738  -4.281  -6.409
  265    QH1  ARG  24           QH2      ARG  24  -9.611  -7.342  -7.549
  266    QH2  ARG  24           QH1      ARG  24 -12.673  -8.270  -7.197
  267    H    ARG  25           H        ARG  25  -7.426  -6.042  -3.555
  268    HA   ARG  25           HA       ARG  25  -8.133  -8.719  -2.800
  269   1HB   ARG  25          1HB       ARG  25  -5.573  -7.536  -3.973
  270   2HB   ARG  25          2HB       ARG  25  -5.766  -9.249  -3.618
  271   1HG   ARG  25          1HG       ARG  25  -7.608  -9.464  -5.129
  272   2HG   ARG  25          2HG       ARG  25  -7.683  -7.734  -5.433
  273   1HD   ARG  25          1HD       ARG  25  -6.580  -9.049  -7.281
  274   2HD   ARG  25          2HD       ARG  25  -5.615  -7.725  -6.627
  275    HE   ARG  25           HE       ARG  25  -4.012  -9.189  -6.020
  276   1HH1  ARG  25          2HH2      ARG  25  -7.012 -11.167  -6.377
  277   2HH1  ARG  25          1HH2      ARG  25  -6.143 -12.643  -6.135
  278   1HH2  ARG  25          2HH1      ARG  25  -2.976 -11.195  -5.558
  279   2HH2  ARG  25          1HH1      ARG  25  -3.871 -12.651  -5.641
  280    QB   ARG  25           QB       ARG  25  -5.670  -8.393  -3.796
  281    QG   ARG  25           QG       ARG  25  -7.646  -8.599  -5.281
  282    QD   ARG  25           QD       ARG  25  -6.098  -8.387  -6.954
  283    QH1  ARG  25           QH2      ARG  25  -6.578 -11.905  -6.256
  284    QH2  ARG  25           QH1      ARG  25  -3.423 -11.923  -5.599
  285    H    GLN  26           H        GLN  26  -5.672  -6.405  -1.384
  286    HA   GLN  26           HA       GLN  26  -4.792  -8.338   0.518
  287   1HB   GLN  26          1HB       GLN  26  -3.738  -6.059  -0.624
  288   2HB   GLN  26          2HB       GLN  26  -4.564  -5.304   0.717
  289   1HG   GLN  26          1HG       GLN  26  -2.512  -5.665   1.559
  290   2HG   GLN  26          2HG       GLN  26  -3.371  -7.122   2.137
  291   1HE2  GLN  26          2HE2      GLN  26   0.044  -7.803   0.360
  292   2HE2  GLN  26          1HE2      GLN  26  -0.335  -6.344   1.238
  293    QB   GLN  26           QB       GLN  26  -4.151  -5.681   0.047
  294    QG   GLN  26           QG       GLN  26  -2.941  -6.394   1.848
  295    QE2  GLN  26           QE2      GLN  26  -0.145  -7.073   0.799
  296    H    ALA  27           H        ALA  27  -6.899  -5.365   0.707
  297    HA   ALA  27           HA       ALA  27  -7.181  -5.562   3.496
  298   1HB   ALA  27          1HB       ALA  27  -9.038  -4.322   1.422
  299   2HB   ALA  27          2HB       ALA  27  -9.145  -4.068   3.179
  300   3HB   ALA  27          3HB       ALA  27  -7.693  -3.548   2.313
  301    QB   ALA  27           QB       ALA  27  -8.625  -3.979   2.304
  302    H    LEU  28           H        LEU  28  -9.270  -6.964   0.894
  303    HA   LEU  28           HA       LEU  28 -11.203  -7.999   2.734
  304   1HB   LEU  28          1HB       LEU  28 -11.498  -7.467   0.289
  305   2HB   LEU  28          2HB       LEU  28 -10.586  -8.929  -0.091
  306    HG   LEU  28           HG       LEU  28 -12.340 -10.327   0.840
  307   1HD1  LEU  28          2HD1      LEU  28 -13.624  -7.725   1.748
  308   2HD1  LEU  28          3HD1      LEU  28 -14.514  -9.241   1.648
  309   3HD1  LEU  28          1HD1      LEU  28 -13.145  -9.102   2.764
  310   1HD2  LEU  28          1HD2      LEU  28 -12.597  -9.514  -1.468
  311   2HD2  LEU  28          2HD2      LEU  28 -14.165  -9.787  -0.693
  312   3HD2  LEU  28          3HD2      LEU  28 -13.549  -8.136  -0.876
  313    QB   LEU  28           QB       LEU  28 -11.042  -8.198   0.099
  314    QD1  LEU  28           QD1      LEU  28 -13.761  -8.689   2.053
  315    QD2  LEU  28           QD2      LEU  28 -13.437  -9.146  -1.012
  316    QQD  LEU  28           QQD      LEU  28 -13.599  -8.918   0.520
  317    H    ARG  29           H        ARG  29  -7.983  -8.998   2.357
  318    HA   ARG  29           HA       ARG  29  -8.456 -11.808   3.010
  319   1HB   ARG  29          1HB       ARG  29  -6.725 -10.703   1.359
  320   2HB   ARG  29          2HB       ARG  29  -5.797 -10.324   2.787
  321   1HG   ARG  29          1HG       ARG  29  -5.767 -12.745   3.398
  322   2HG   ARG  29          2HG       ARG  29  -6.748 -13.073   1.953
  323   1HD   ARG  29          1HD       ARG  29  -3.898 -12.037   2.083
  324   2HD   ARG  29          2HD       ARG  29  -4.423 -13.619   1.491
  325    HE   ARG  29           HE       ARG  29  -5.756 -12.146  -0.197
  326   1HH1  ARG  29          2HH2      ARG  29  -2.338 -12.081   0.567
  327   2HH1  ARG  29          1HH2      ARG  29  -1.902 -10.786  -0.500
  328   1HH2  ARG  29          2HH1      ARG  29  -5.273 -10.345  -1.568
  329   2HH2  ARG  29          1HH1      ARG  29  -3.628  -9.914  -1.953
  330    QB   ARG  29           QB       ARG  29  -6.261 -10.514   2.073
  331    QG   ARG  29           QG       ARG  29  -6.257 -12.909   2.676
  332    QD   ARG  29           QD       ARG  29  -4.161 -12.828   1.787
  333    QH1  ARG  29           QH2      ARG  29  -2.120 -11.433   0.034
  334    QH2  ARG  29           QH1      ARG  29  -4.450 -10.130  -1.761
  335    H    TYR  30           H        TYR  30  -8.122  -8.795   4.717
  336    HA   TYR  30           HA       TYR  30  -7.250 -10.098   7.183
  337   1HB   TYR  30          1HB       TYR  30  -6.035  -7.580   5.984
  338   2HB   TYR  30          2HB       TYR  30  -5.612  -8.284   7.541
  339    HD1  TYR  30          2HD       TYR  30  -4.884 -10.870   7.411
  340    HD2  TYR  30          1HD       TYR  30  -4.634  -8.069   4.171
  341    HE1  TYR  30          2HE       TYR  30  -3.309 -12.365   6.268
  342    HE2  TYR  30          1HE       TYR  30  -2.970  -9.514   3.025
  343    HH   TYR  30           HH       TYR  30  -2.074 -12.735   4.339
  344    QB   TYR  30           QB       TYR  30  -5.824  -7.932   6.763
  345    QG   TYR  30           QD       TYR  30  -4.759  -9.469   5.791
  346    QZ   TYR  30           QE       TYR  30  -3.139 -10.939   4.646
  347    QR   TYR  30           QR       TYR  30  -3.949 -10.204   5.219
  348    H    HIS  31           H        HIS  31  -9.615  -8.389   5.763
  349    HA   HIS  31           HA       HIS  31 -10.166  -6.078   7.129
  350   1HB   HIS  31          1HB       HIS  31 -11.366  -7.763   5.213
  351   2HB   HIS  31          2HB       HIS  31 -12.510  -7.814   6.518
  352    HD1  HIS  31          1HD       HIS  31 -13.222  -4.884   7.308
  353    HD2  HIS  31          2HD       HIS  31 -11.820  -6.044   3.485
  354    HE1  HIS  31          1HE       HIS  31 -14.024  -3.169   5.733
  355    QB   HIS  31           QB       HIS  31 -11.938  -7.788   5.865
  356    HA   PRO  32           HA       PRO  32 -11.492  -7.356  11.369
  357   1HB   PRO  32          1HB       PRO  32 -13.498  -5.166  10.825
  358   2HB   PRO  32          2HB       PRO  32 -12.527  -5.448  12.291
  359   1HG   PRO  32          1HG       PRO  32 -11.843  -3.521  10.508
  360   2HG   PRO  32          2HG       PRO  32 -10.600  -4.521  11.308
  361   1HD   PRO  32          1HD       PRO  32 -11.635  -4.715   8.514
  362   2HD   PRO  32          2HD       PRO  32  -9.996  -5.031   9.147
  363    QB   PRO  32           QB       PRO  32 -13.012  -5.307  11.558
  364    QG   PRO  32           QG       PRO  32 -11.222  -4.021  10.908
  365    QD   PRO  32           QD       PRO  32 -10.816  -4.873   8.831
  366    H    ASP  33           H        ASP  33 -13.667  -6.720   8.695
  367    HA   ASP  33           HA       ASP  33 -15.991  -7.883   9.824
  368   1HB   ASP  33          1HB       ASP  33 -15.320  -7.032   6.969
  369   2HB   ASP  33          2HB       ASP  33 -16.934  -7.475   7.513
  370    QB   ASP  33           QB       ASP  33 -16.127  -7.253   7.241
  371    H    LYS  34           H        LYS  34 -13.362  -9.392   8.161
  372    HA   LYS  34           HA       LYS  34 -15.195 -11.489   7.000
  373   1HB   LYS  34          1HB       LYS  34 -14.351 -10.039   5.255
  374   2HB   LYS  34          2HB       LYS  34 -12.728 -10.099   5.914
  375   1HG   LYS  34          1HG       LYS  34 -12.788 -11.408   3.929
  376   2HG   LYS  34          2HG       LYS  34 -12.455 -12.451   5.296
  377   1HD   LYS  34          1HD       LYS  34 -14.016 -13.670   3.982
  378   2HD   LYS  34          2HD       LYS  34 -14.988 -13.015   5.289
  379   1HE   LYS  34          1HE       LYS  34 -16.309 -12.540   3.420
  380   2HE   LYS  34          2HE       LYS  34 -15.463 -11.012   3.692
  381   1HZ   LYS  34          3HZ       LYS  34 -13.783 -11.927   2.030
  382   2HZ   LYS  34          1HZ       LYS  34 -14.847 -13.067   1.664
  383   3HZ   LYS  34          2HZ       LYS  34 -15.253 -11.481   1.404
  384    QB   LYS  34           QB       LYS  34 -13.540 -10.069   5.584
  385    QG   LYS  34           QG       LYS  34 -12.622 -11.929   4.612
  386    QD   LYS  34           QD       LYS  34 -14.502 -13.343   4.636
  387    QE   LYS  34           QE       LYS  34 -15.886 -11.776   3.556
  388    QZ   LYS  34           QZ       LYS  34 -14.628 -12.158   1.699
  389    H    ASN  35           H        ASN  35 -12.058 -10.937   8.591
  390    HA   ASN  35           HA       ASN  35 -11.732 -13.864   9.037
  391   1HB   ASN  35          1HB       ASN  35  -9.226 -13.105   8.930
  392   2HB   ASN  35          2HB       ASN  35 -10.082 -13.276   7.401
  393   1HD2  ASN  35          2HD2      ASN  35  -8.976  -9.603   8.756
  394   2HD2  ASN  35          1HD2      ASN  35  -8.154 -11.121   9.019
  395    QB   ASN  35           QB       ASN  35  -9.654 -13.191   8.166
  396    QD2  ASN  35           QD2      ASN  35  -8.565 -10.362   8.887
  397    H    LYS  36           H        LYS  36 -12.681 -11.171  10.598
  398    HA   LYS  36           HA       LYS  36 -12.519 -10.232  12.591
  399   1HB   LYS  36          1HB       LYS  36 -11.869 -13.056  13.281
  400   2HB   LYS  36          2HB       LYS  36 -12.098 -11.833  14.515
  401   1HG   LYS  36          1HG       LYS  36 -14.421 -11.423  13.289
  402   2HG   LYS  36          2HG       LYS  36 -14.103 -13.017  12.611
  403   1HD   LYS  36          1HD       LYS  36 -15.298 -13.594  14.488
  404   2HD   LYS  36          2HD       LYS  36 -13.671 -13.721  15.135
  405   1HE   LYS  36          1HE       LYS  36 -15.608 -11.371  15.478
  406   2HE   LYS  36          2HE       LYS  36 -15.240 -12.598  16.690
  407   1HZ   LYS  36          1HZ       LYS  36 -12.942 -11.743  16.724
  408   2HZ   LYS  36          2HZ       LYS  36 -13.402 -10.537  15.669
  409   3HZ   LYS  36          3HZ       LYS  36 -14.050 -10.616  17.156
  410    QB   LYS  36           QB       LYS  36 -11.984 -12.444  13.898
  411    QG   LYS  36           QG       LYS  36 -14.262 -12.220  12.950
  412    QD   LYS  36           QD       LYS  36 -14.485 -13.658  14.811
  413    QE   LYS  36           QE       LYS  36 -15.424 -11.985  16.084
  414    QZ   LYS  36           QZ       LYS  36 -13.465 -10.966  16.516
  415    H    GLU  37           H        GLU  37 -10.004  -9.939  10.967
  416    HA   GLU  37           HA       GLU  37  -7.824  -9.596  11.124
  417   1HB   GLU  37          1HB       GLU  37  -9.289  -7.629  11.292
  418   2HB   GLU  37          2HB       GLU  37  -9.130  -7.700  13.048
  419   1HG   GLU  37          1HG       GLU  37  -6.572  -7.686  12.520
  420   2HG   GLU  37          2HG       GLU  37  -7.017  -7.167  10.905
  421    QB   GLU  37           QB       GLU  37  -9.209  -7.664  12.170
  422    QG   GLU  37           QG       GLU  37  -6.795  -7.426  11.712
  423    HA   PRO  38           HA       PRO  38  -6.936 -12.089  14.977
  424   1HB   PRO  38          1HB       PRO  38  -5.546 -14.111  13.848
  425   2HB   PRO  38          2HB       PRO  38  -7.306 -13.950  13.670
  426   1HG   PRO  38          1HG       PRO  38  -5.178 -13.007  11.727
  427   2HG   PRO  38          2HG       PRO  38  -6.574 -14.090  11.395
  428   1HD   PRO  38          1HD       PRO  38  -6.733 -11.431  10.935
  429   2HD   PRO  38          2HD       PRO  38  -8.111 -12.329  11.605
  430    QB   PRO  38           QB       PRO  38  -6.426 -14.031  13.759
  431    QG   PRO  38           QG       PRO  38  -5.876 -13.548  11.561
  432    QD   PRO  38           QD       PRO  38  -7.422 -11.880  11.270
  433    H    GLY  39           H        GLY  39  -4.208 -13.261  14.751
  434   1HA   GLY  39          1HA       GLY  39  -2.392 -11.231  15.495
  435   2HA   GLY  39          2HA       GLY  39  -1.976 -12.789  14.767
  436    QA   GLY  39           QA       GLY  39  -2.184 -12.010  15.131
  437    H    ALA  40           H        ALA  40  -3.893 -11.528  12.490
  438    HA   ALA  40           HA       ALA  40  -1.957 -10.376  10.679
  439   1HB   ALA  40          2HB       ALA  40  -4.118 -11.506   9.987
  440   2HB   ALA  40          3HB       ALA  40  -4.993 -10.143  10.731
  441   3HB   ALA  40          1HB       ALA  40  -3.930  -9.859   9.354
  442    QB   ALA  40           QB       ALA  40  -4.347 -10.503  10.024
  443    H    GLU  41           H        GLU  41  -3.565  -9.051  13.531
  444    HA   GLU  41           HA       GLU  41  -4.413  -6.624  12.679
  445   1HB   GLU  41          1HB       GLU  41  -4.653  -7.606  14.966
  446   2HB   GLU  41          2HB       GLU  41  -2.955  -7.255  15.275
  447   1HG   GLU  41          1HG       GLU  41  -3.779  -4.743  14.643
  448   2HG   GLU  41          2HG       GLU  41  -5.329  -5.406  15.174
  449    QB   GLU  41           QB       GLU  41  -3.804  -7.431  15.121
  450    QG   GLU  41           QG       GLU  41  -4.554  -5.074  14.908
  451    H    GLU  42           H        GLU  42  -1.078  -7.290  13.767
  452    HA   GLU  42           HA       GLU  42   0.036  -4.711  13.330
  453   1HB   GLU  42          1HB       GLU  42   1.112  -6.622  14.506
  454   2HB   GLU  42          2HB       GLU  42   1.340  -7.430  12.960
  455   1HG   GLU  42          1HG       GLU  42   3.397  -6.413  13.575
  456   2HG   GLU  42          2HG       GLU  42   2.767  -5.500  12.209
  457    QB   GLU  42           QB       GLU  42   1.226  -7.026  13.733
  458    QG   GLU  42           QG       GLU  42   3.082  -5.956  12.892
  459    H    LYS  43           H        LYS  43  -0.326  -7.482  11.196
  460    HA   LYS  43           HA       LYS  43   1.006  -6.517   8.952
  461   1HB   LYS  43          1HB       LYS  43  -0.373  -8.921   9.796
  462   2HB   LYS  43          2HB       LYS  43  -0.976  -8.503   8.194
  463   1HG   LYS  43          1HG       LYS  43   1.279  -8.437   7.313
  464   2HG   LYS  43          2HG       LYS  43   1.955  -8.572   8.951
  465   1HD   LYS  43          1HD       LYS  43   1.260 -10.855   9.145
  466   2HD   LYS  43          2HD       LYS  43   0.351 -10.774   7.627
  467   1HE   LYS  43          1HE       LYS  43   2.589 -11.916   7.415
  468   2HE   LYS  43          2HE       LYS  43   2.363 -10.547   6.322
  469   1HZ   LYS  43          1HZ       LYS  43   3.890 -10.358   8.854
  470   2HZ   LYS  43          2HZ       LYS  43   4.554 -10.552   7.374
  471   3HZ   LYS  43          3HZ       LYS  43   3.718  -9.196   7.723
  472    QB   LYS  43           QB       LYS  43  -0.675  -8.712   8.995
  473    QG   LYS  43           QG       LYS  43   1.617  -8.504   8.132
  474    QD   LYS  43           QD       LYS  43   0.806 -10.815   8.386
  475    QE   LYS  43           QE       LYS  43   2.476 -11.232   6.868
  476    QZ   LYS  43           QZ       LYS  43   4.054 -10.035   7.984
  477    H    PHE  44           H        PHE  44  -2.410  -6.372   9.884
  478    HA   PHE  44           HA       PHE  44  -3.395  -5.244   7.432
  479   1HB   PHE  44          1HB       PHE  44  -4.792  -6.471   9.083
  480   2HB   PHE  44          2HB       PHE  44  -4.546  -5.187  10.247
  481    HD1  PHE  44          1HD       PHE  44  -5.594  -5.428   6.604
  482    HD2  PHE  44          2HD       PHE  44  -6.392  -3.735  10.492
  483    HE1  PHE  44          1HE       PHE  44  -7.599  -4.263   5.704
  484    HE2  PHE  44          2HE       PHE  44  -8.357  -2.574   9.590
  485   1HZ   PHE  44           HZ       PHE  44  -8.968  -2.824   7.189
  486    QB   PHE  44           QB       PHE  44  -4.669  -5.829   9.665
  487    QG   PHE  44           QD       PHE  44  -5.993  -4.582   8.548
  488    QZ   PHE  44           QE       PHE  44  -7.978  -3.418   7.647
  489    QZ   PHE  44           QR       PHE  44  -7.382  -3.765   7.916
  490    H    LYS  45           H        LYS  45  -2.384  -3.850  10.594
  491    HA   LYS  45           HA       LYS  45  -2.798  -1.145   9.802
  492   1HB   LYS  45          1HB       LYS  45  -2.147  -2.350  12.142
  493   2HB   LYS  45          2HB       LYS  45  -0.556  -1.811  11.671
  494   1HG   LYS  45          1HG       LYS  45  -3.038  -0.061  12.009
  495   2HG   LYS  45          2HG       LYS  45  -1.724  -0.257  13.175
  496   1HD   LYS  45          1HD       LYS  45  -0.151   0.610  11.331
  497   2HD   LYS  45          2HD       LYS  45  -1.610   1.141  10.476
  498   1HE   LYS  45          1HE       LYS  45  -0.856   1.931  13.323
  499   2HE   LYS  45          2HE       LYS  45  -0.507   2.896  11.891
  500   1HZ   LYS  45          3HZ       LYS  45  -2.841   3.076  11.456
  501   2HZ   LYS  45          1HZ       LYS  45  -3.230   2.220  12.826
  502   3HZ   LYS  45          2HZ       LYS  45  -2.484   3.664  12.951
  503    QB   LYS  45           QB       LYS  45  -1.351  -2.081  11.907
  504    QG   LYS  45           QG       LYS  45  -2.381  -0.159  12.592
  505    QD   LYS  45           QD       LYS  45  -0.880   0.875  10.904
  506    QE   LYS  45           QE       LYS  45  -0.682   2.414  12.607
  507    QZ   LYS  45           QZ       LYS  45  -2.851   2.987  12.411
  508    H    GLU  46           H        GLU  46  -0.021  -3.371   9.274
  509    HA   GLU  46           HA       GLU  46   1.726  -1.454   8.182
  510   1HB   GLU  46          1HB       GLU  46   1.678  -4.176   8.767
  511   2HB   GLU  46          2HB       GLU  46   2.033  -4.141   7.056
  512   1HG   GLU  46          1HG       GLU  46   3.515  -2.495   9.155
  513   2HG   GLU  46          2HG       GLU  46   3.940  -4.156   8.754
  514    QB   GLU  46           QB       GLU  46   1.856  -4.159   7.911
  515    QG   GLU  46           QG       GLU  46   3.728  -3.326   8.954
  516    H    ILE  47           H        ILE  47  -0.693  -3.650   6.677
  517    HA   ILE  47           HA       ILE  47  -0.398  -2.810   3.977
  518    HB   ILE  47           HB       ILE  47  -2.854  -3.820   5.444
  519   1HG1  ILE  47          1HG1      ILE  47  -1.193  -5.197   3.298
  520   2HG1  ILE  47          2HG1      ILE  47  -0.687  -5.242   4.965
  521   1HG2  ILE  47          1HG2      ILE  47  -2.493  -3.320   2.449
  522   2HG2  ILE  47          2HG2      ILE  47  -3.849  -4.215   3.163
  523   3HG2  ILE  47          3HG2      ILE  47  -3.661  -2.508   3.509
  524   1HD1  ILE  47          3HD1      ILE  47  -3.461  -6.120   4.143
  525   2HD1  ILE  47          1HD1      ILE  47  -2.053  -7.207   4.282
  526   3HD1  ILE  47          2HD1      ILE  47  -2.666  -6.340   5.705
  527    QG1  ILE  47           QG1      ILE  47  -0.940  -5.219   4.132
  528    QG2  ILE  47           QG2      ILE  47  -3.334  -3.348   3.040
  529    QD1  ILE  47           QD1      ILE  47  -2.727  -6.556   4.710
  530    H    ALA  48           H        ALA  48  -2.430  -1.474   6.651
  531    HA   ALA  48           HA       ALA  48  -3.676   0.569   5.193
  532   1HB   ALA  48          1HB       ALA  48  -4.401  -0.218   7.409
  533   2HB   ALA  48          2HB       ALA  48  -2.980   0.574   8.140
  534   3HB   ALA  48          3HB       ALA  48  -4.207   1.546   7.320
  535    QB   ALA  48           QB       ALA  48  -3.863   0.634   7.623
  536    H    GLU  49           H        GLU  49  -0.451   0.455   6.630
  537    HA   GLU  49           HA       GLU  49   0.040   3.302   6.420
  538   1HB   GLU  49          1HB       GLU  49   1.218   1.462   7.925
  539   2HB   GLU  49          2HB       GLU  49   2.224   1.201   6.500
  540   1HG   GLU  49          1HG       GLU  49   3.309   2.782   7.976
  541   2HG   GLU  49          2HG       GLU  49   2.819   3.635   6.513
  542    QB   GLU  49           QB       GLU  49   1.721   1.332   7.212
  543    QG   GLU  49           QG       GLU  49   3.064   3.208   7.245
  544    H    ALA  50           H        ALA  50   0.613   0.477   4.337
  545    HA   ALA  50           HA       ALA  50   1.872   2.072   2.271
  546   1HB   ALA  50          1HB       ALA  50   2.276  -0.332   2.399
  547   2HB   ALA  50          2HB       ALA  50   0.554  -0.665   2.106
  548   3HB   ALA  50          3HB       ALA  50   1.538   0.098   0.843
  549    QB   ALA  50           QB       ALA  50   1.456  -0.300   1.783
  550    H    TYR  51           H        TYR  51  -1.363   0.972   3.017
  551    HA   TYR  51           HA       TYR  51  -2.776   1.403   0.683
  552   1HB   TYR  51          1HB       TYR  51  -3.298   0.462   3.137
  553   2HB   TYR  51          2HB       TYR  51  -3.999   2.025   3.366
  554    HD1  TYR  51          1HD       TYR  51  -3.958  -0.928   1.077
  555    HD2  TYR  51          2HD       TYR  51  -6.328   2.042   3.103
  556    HE1  TYR  51          1HE       TYR  51  -6.022  -2.204   0.514
  557    HE2  TYR  51          2HE       TYR  51  -8.372   0.801   2.521
  558    HH   TYR  51           HH       TYR  51  -9.118  -1.285   1.892
  559    QB   TYR  51           QB       TYR  51  -3.649   1.244   3.251
  560    QG   TYR  51           QD       TYR  51  -5.143   0.557   2.090
  561    QZ   TYR  51           QE       TYR  51  -7.197  -0.702   1.518
  562    QR   TYR  51           QR       TYR  51  -6.170  -0.072   1.804
  563    H    ASP  52           H        ASP  52  -2.102   3.715   3.347
  564    HA   ASP  52           HA       ASP  52  -3.681   5.853   2.351
  565   1HB   ASP  52          1HB       ASP  52  -2.661   5.613   4.681
  566   2HB   ASP  52          2HB       ASP  52  -1.163   6.248   4.000
  567    QB   ASP  52           QB       ASP  52  -1.912   5.930   4.341
  568    H    VAL  53           H        VAL  53  -0.096   5.441   2.163
  569    HA   VAL  53           HA       VAL  53   0.356   7.689   0.513
  570    HB   VAL  53           HB       VAL  53   1.850   5.082   0.979
  571   1HG1  VAL  53          2HG1      VAL  53   2.732   7.399  -0.765
  572   2HG1  VAL  53          3HG1      VAL  53   3.860   6.182  -0.087
  573   3HG1  VAL  53          1HG1      VAL  53   2.596   5.688  -1.207
  574   1HG2  VAL  53          3HG2      VAL  53   2.336   7.932   1.846
  575   2HG2  VAL  53          1HG2      VAL  53   1.781   6.602   2.874
  576   3HG2  VAL  53          2HG2      VAL  53   3.427   6.571   2.202
  577    QG1  VAL  53           QG1      VAL  53   3.062   6.423  -0.686
  578    QG2  VAL  53           QG2      VAL  53   2.515   7.035   2.307
  579    QQG  VAL  53           QQG      VAL  53   2.789   6.729   0.811
  580    H    LEU  54           H        LEU  54  -0.233   4.244  -0.368
  581    HA   LEU  54           HA       LEU  54   0.262   4.670  -3.130
  582   1HB   LEU  54          1HB       LEU  54  -1.371   2.575  -1.685
  583   2HB   LEU  54          2HB       LEU  54  -0.857   2.603  -3.368
  584    HG   LEU  54           HG       LEU  54   1.182   2.460  -1.173
  585   1HD1  LEU  54          1HD1      LEU  54  -0.101   0.255  -2.852
  586   2HD1  LEU  54          2HD1      LEU  54   1.273   0.050  -1.754
  587   3HD1  LEU  54          3HD1      LEU  54  -0.302   0.494  -1.096
  588   1HD2  LEU  54          3HD2      LEU  54   1.355   1.937  -4.164
  589   2HD2  LEU  54          1HD2      LEU  54   2.085   3.286  -3.260
  590   3HD2  LEU  54          2HD2      LEU  54   2.637   1.646  -2.974
  591    QB   LEU  54           QB       LEU  54  -1.114   2.589  -2.527
  592    QD1  LEU  54           QD1      LEU  54   0.290   0.266  -1.900
  593    QD2  LEU  54           QD2      LEU  54   2.025   2.290  -3.466
  594    QQD  LEU  54           QQD      LEU  54   1.158   1.278  -2.683
  595    H    SER  55           H        SER  55  -2.356   5.725  -1.127
  596    HA   SER  55           HA       SER  55  -4.039   6.289  -3.505
  597   1HB   SER  55          1HB       SER  55  -5.921   6.390  -2.040
  598   2HB   SER  55          2HB       SER  55  -5.077   4.861  -1.819
  599    HG   SER  55           HG       SER  55  -3.958   6.257  -0.021
  600    QB   SER  55           QB       SER  55  -5.499   5.625  -1.930
  601    H    ASP  56           H        ASP  56  -1.668   7.878  -1.691
  602    HA   ASP  56           HA       ASP  56  -3.003  10.467  -2.322
  603   1HB   ASP  56          1HB       ASP  56  -2.629  10.333   0.072
  604   2HB   ASP  56          2HB       ASP  56  -0.946   9.905  -0.195
  605    QB   ASP  56           QB       ASP  56  -1.787  10.119  -0.062
  606    HA   PRO  57           HA       PRO  57   0.389   9.681  -5.239
  607   1HB   PRO  57          1HB       PRO  57  -0.349  11.435  -7.201
  608   2HB   PRO  57          2HB       PRO  57  -1.053   9.805  -6.994
  609   1HG   PRO  57          1HG       PRO  57  -2.167  12.453  -6.026
  610   2HG   PRO  57          2HG       PRO  57  -3.028  11.143  -6.900
  611   1HD   PRO  57          1HD       PRO  57  -3.157  11.380  -4.203
  612   2HD   PRO  57          2HD       PRO  57  -3.063   9.769  -4.970
  613    QB   PRO  57           QB       PRO  57  -0.701  10.620  -7.098
  614    QG   PRO  57           QG       PRO  57  -2.598  11.798  -6.463
  615    QD   PRO  57           QD       PRO  57  -3.110  10.574  -4.586
  616    H    ARG  58           H        ARG  58  -0.480  12.565  -3.432
  617    HA   ARG  58           HA       ARG  58   1.961  13.979  -4.321
  618   1HB   ARG  58          1HB       ARG  58  -0.281  14.710  -2.441
  619   2HB   ARG  58          2HB       ARG  58   1.303  15.458  -2.297
  620   1HG   ARG  58          1HG       ARG  58   0.255  16.932  -3.717
  621   2HG   ARG  58          2HG       ARG  58   1.173  15.940  -4.829
  622   1HD   ARG  58          1HD       ARG  58  -0.959  16.194  -5.828
  623   2HD   ARG  58          2HD       ARG  58  -0.976  14.556  -5.187
  624    HE   ARG  58           HE       ARG  58  -2.607  15.165  -3.643
  625   1HH1  ARG  58          2HH2      ARG  58  -1.136  18.113  -4.973
  626   2HH1  ARG  58          1HH2      ARG  58  -2.430  19.152  -4.467
  627   1HH2  ARG  58          2HH1      ARG  58  -4.280  16.574  -2.859
  628   2HH2  ARG  58          1HH1      ARG  58  -3.932  18.263  -2.785
  629    QB   ARG  58           QB       ARG  58   0.511  15.084  -2.369
  630    QG   ARG  58           QG       ARG  58   0.714  16.436  -4.273
  631    QD   ARG  58           QD       ARG  58  -0.968  15.375  -5.508
  632    QH1  ARG  58           QH2      ARG  58  -1.783  18.633  -4.720
  633    QH2  ARG  58           QH1      ARG  58  -4.106  17.418  -2.822
  634    H    LYS  59           H        LYS  59   0.896  11.800  -1.680
  635    HA   LYS  59           HA       LYS  59   3.340  12.329  -0.179
  636   1HB   LYS  59          1HB       LYS  59   1.053  11.113   0.510
  637   2HB   LYS  59          2HB       LYS  59   1.962   9.670   0.101
  638   1HG   LYS  59          1HG       LYS  59   2.326  11.723   2.208
  639   2HG   LYS  59          2HG       LYS  59   2.246  10.027   2.453
  640   1HD   LYS  59          1HD       LYS  59   4.713  11.324   1.187
  641   2HD   LYS  59          2HD       LYS  59   4.377  11.392   2.903
  642   1HE   LYS  59          1HE       LYS  59   4.120   8.851   2.843
  643   2HE   LYS  59          2HE       LYS  59   4.960   8.919   1.276
  644   1HZ   LYS  59          3HZ       LYS  59   5.988  10.202   3.747
  645   2HZ   LYS  59          1HZ       LYS  59   6.322   8.678   3.420
  646   3HZ   LYS  59          2HZ       LYS  59   6.863   9.871   2.403
  647    QB   LYS  59           QB       LYS  59   1.507  10.392   0.306
  648    QG   LYS  59           QG       LYS  59   2.286  10.875   2.331
  649    QD   LYS  59           QD       LYS  59   4.545  11.358   2.045
  650    QE   LYS  59           QE       LYS  59   4.540   8.885   2.060
  651    QZ   LYS  59           QZ       LYS  59   6.391   9.584   3.190
  652    H    ARG  60           H        ARG  60   2.060   9.878  -2.440
  653    HA   ARG  60           HA       ARG  60   4.432   8.431  -2.897
  654   1HB   ARG  60          1HB       ARG  60   1.764   8.300  -3.691
  655   2HB   ARG  60          2HB       ARG  60   2.574   8.700  -5.206
  656   1HG   ARG  60          1HG       ARG  60   4.028   6.726  -4.975
  657   2HG   ARG  60          2HG       ARG  60   3.429   6.474  -3.319
  658   1HD   ARG  60          1HD       ARG  60   2.276   4.910  -4.664
  659   2HD   ARG  60          2HD       ARG  60   1.134   6.188  -4.226
  660    HE   ARG  60           HE       ARG  60   2.566   6.159  -6.873
  661   1HH1  ARG  60          2HH2      ARG  60  -0.639   6.014  -5.210
  662   2HH1  ARG  60          1HH2      ARG  60  -1.450   6.213  -6.705
  663   1HH2  ARG  60          2HH1      ARG  60   1.405   6.607  -8.674
  664   2HH2  ARG  60          1HH1      ARG  60  -0.321   6.917  -8.617
  665    QB   ARG  60           QB       ARG  60   2.169   8.500  -4.449
  666    QG   ARG  60           QG       ARG  60   3.729   6.600  -4.147
  667    QD   ARG  60           QD       ARG  60   1.705   5.549  -4.445
  668    QH1  ARG  60           QH2      ARG  60  -1.045   6.114  -5.958
  669    QH2  ARG  60           QH1      ARG  60   0.542   6.762  -8.645
  670    H    GLU  61           H        GLU  61   3.707  11.726  -3.969
  671    HA   GLU  61           HA       GLU  61   5.191  11.702  -6.335
  672   1HB   GLU  61          1HB       GLU  61   3.687  13.486  -5.275
  673   2HB   GLU  61          2HB       GLU  61   5.101  14.049  -4.392
  674   1HG   GLU  61          1HG       GLU  61   6.188  14.708  -6.424
  675   2HG   GLU  61          2HG       GLU  61   5.079  13.745  -7.414
  676    QB   GLU  61           QB       GLU  61   4.394  13.767  -4.834
  677    QG   GLU  61           QG       GLU  61   5.633  14.226  -6.919
  678    H    ILE  62           H        ILE  62   6.242  11.599  -3.056
  679    HA   ILE  62           HA       ILE  62   9.054  12.227  -3.524
  680    HB   ILE  62           HB       ILE  62   7.821  10.605  -1.260
  681   1HG1  ILE  62          1HG1      ILE  62   8.270  13.626  -1.311
  682   2HG1  ILE  62          2HG1      ILE  62   6.696  12.851  -1.479
  683   1HG2  ILE  62          3HG2      ILE  62  10.325  10.496  -1.523
  684   2HG2  ILE  62          1HG2      ILE  62  10.389  12.264  -1.351
  685   3HG2  ILE  62          2HG2      ILE  62   9.832  11.244  -0.012
  686   1HD1  ILE  62          3HD1      ILE  62   7.014  11.734   0.729
  687   2HD1  ILE  62          1HD1      ILE  62   8.453  12.747   0.970
  688   3HD1  ILE  62          2HD1      ILE  62   6.864  13.501   0.768
  689    QG1  ILE  62           QG1      ILE  62   7.483  13.238  -1.395
  690    QG2  ILE  62           QG2      ILE  62  10.182  11.335  -0.962
  691    QD1  ILE  62           QD1      ILE  62   7.444  12.661   0.822
  692    H    PHE  63           H        PHE  63   7.199   9.222  -2.903
  693    HA   PHE  63           HA       PHE  63   9.212   7.333  -3.331
  694   1HB   PHE  63          1HB       PHE  63   6.813   7.095  -2.395
  695   2HB   PHE  63          2HB       PHE  63   6.242   7.075  -4.036
  696    HD1  PHE  63          2HD       PHE  63   7.493   5.216  -5.639
  697    HD2  PHE  63          1HD       PHE  63   7.076   5.042  -1.331
  698    HE1  PHE  63          2HE       PHE  63   7.768   2.786  -5.702
  699    HE2  PHE  63          1HE       PHE  63   7.319   2.589  -1.433
  700   1HZ   PHE  63           HZ       PHE  63   7.594   1.447  -3.619
  701    QB   PHE  63           QB       PHE  63   6.527   7.085  -3.216
  702    QG   PHE  63           QD       PHE  63   7.284   5.129  -3.485
  703    QZ   PHE  63           QE       PHE  63   7.543   2.687  -3.568
  704    QZ   PHE  63           QR       PHE  63   7.450   3.416  -3.545
  705    H    ASP  64           H        ASP  64   6.835   8.617  -5.671
  706    HA   ASP  64           HA       ASP  64   7.542   6.951  -7.820
  707   1HB   ASP  64          1HB       ASP  64   5.408   8.398  -7.369
  708   2HB   ASP  64          2HB       ASP  64   6.316   9.723  -8.088
  709    QB   ASP  64           QB       ASP  64   5.862   9.060  -7.729
  710    H    ARG  65           H        ARG  65   8.979   9.938  -6.670
  711    HA   ARG  65           HA       ARG  65  10.442  10.415  -9.211
  712   1HB   ARG  65          1HB       ARG  65   9.725  12.426  -8.298
  713   2HB   ARG  65          2HB       ARG  65  10.060  11.904  -6.656
  714   1HG   ARG  65          1HG       ARG  65  12.463  12.139  -6.943
  715   2HG   ARG  65          2HG       ARG  65  12.242  12.489  -8.669
  716   1HD   ARG  65          1HD       ARG  65  10.996  14.545  -8.065
  717   2HD   ARG  65          2HD       ARG  65  11.242  14.182  -6.346
  718    HE   ARG  65           HE       ARG  65  13.763  14.092  -7.626
  719   1HH1  ARG  65          2HH2      ARG  65  11.387  16.552  -6.671
  720   2HH1  ARG  65          1HH2      ARG  65  12.556  17.836  -6.656
  721   1HH2  ARG  65          2HH1      ARG  65  15.240  15.603  -7.424
  722   2HH2  ARG  65          1HH1      ARG  65  14.920  17.116  -6.609
  723    QB   ARG  65           QB       ARG  65   9.893  12.165  -7.477
  724    QG   ARG  65           QG       ARG  65  12.352  12.314  -7.806
  725    QD   ARG  65           QD       ARG  65  11.119  14.364  -7.206
  726    QH1  ARG  65           QH2      ARG  65  11.972  17.194  -6.663
  727    QH2  ARG  65           QH1      ARG  65  15.080  16.360  -7.016
  728    H    TYR  66           H        TYR  66  11.152   9.882  -5.749
  729    HA   TYR  66           HA       TYR  66  14.000   9.539  -6.328
  730   1HB   TYR  66          1HB       TYR  66  12.384   9.497  -3.755
  731   2HB   TYR  66          2HB       TYR  66  14.130   9.411  -3.824
  732    HD1  TYR  66          1HD       TYR  66  15.472  11.336  -4.811
  733    HD2  TYR  66          2HD       TYR  66  11.315  11.660  -3.722
  734    HE1  TYR  66          1HE       TYR  66  15.672  13.811  -4.693
  735    HE2  TYR  66          2HE       TYR  66  11.498  14.103  -3.662
  736    HH   TYR  66           HH       TYR  66  12.964  16.000  -3.908
  737    QB   TYR  66           QB       TYR  66  13.257   9.454  -3.790
  738    QG   TYR  66           QD       TYR  66  13.394  11.498  -4.267
  739    QZ   TYR  66           QE       TYR  66  13.585  13.957  -4.178
  740    QR   TYR  66           QR       TYR  66  13.489  12.727  -4.222
  741    H    GLY  67           H        GLY  67  11.375   7.323  -6.141
  742   1HA   GLY  67          1HA       GLY  67  11.340   5.037  -6.095
  743   2HA   GLY  67          2HA       GLY  67  13.096   4.992  -5.842
  744    QA   GLY  67           QA       GLY  67  12.218   5.015  -5.969
  745    H    GLU  68           H        GLU  68  12.265   3.343  -4.223
  746    HA   GLU  68           HA       GLU  68  10.951   4.174  -1.796
  747   1HB   GLU  68          1HB       GLU  68  12.601   1.735  -2.586
  748   2HB   GLU  68          2HB       GLU  68  11.948   1.972  -0.944
  749   1HG   GLU  68          1HG       GLU  68   9.700   2.153  -1.764
  750   2HG   GLU  68          2HG       GLU  68  10.237   2.067  -3.452
  751    QB   GLU  68           QB       GLU  68  12.275   1.853  -1.765
  752    QG   GLU  68           QG       GLU  68   9.969   2.110  -2.608
  753    H    GLU  69           H        GLU  69  14.244   4.385  -2.972
  754    HA   GLU  69           HA       GLU  69  15.729   4.824  -0.612
  755   1HB   GLU  69          1HB       GLU  69  15.796   5.898  -3.439
  756   2HB   GLU  69          2HB       GLU  69  16.875   6.606  -2.245
  757   1HG   GLU  69          1HG       GLU  69  16.713   3.616  -2.732
  758   2HG   GLU  69          2HG       GLU  69  17.793   4.668  -3.650
  759    QB   GLU  69           QB       GLU  69  16.335   6.252  -2.842
  760    QG   GLU  69           QG       GLU  69  17.253   4.142  -3.191
  761    H    GLY  70           H        GLY  70  13.592   7.103  -2.397
  762   1HA   GLY  70          1HA       GLY  70  14.244   9.409  -0.813
  763   2HA   GLY  70          2HA       GLY  70  12.875   9.218  -1.857
  764    QA   GLY  70           QA       GLY  70  13.560   9.314  -1.335
  765    H    LEU  71           H        LEU  71  12.261   6.658  -0.074
  766    HA   LEU  71           HA       LEU  71  10.133   8.199   1.167
  767   1HB   LEU  71          1HB       LEU  71  10.006   5.926  -0.158
  768   2HB   LEU  71          2HB       LEU  71  10.393   5.188   1.382
  769    HG   LEU  71           HG       LEU  71   8.012   5.223   1.038
  770   1HD1  LEU  71          3HD1      LEU  71   8.766   5.654   3.378
  771   2HD1  LEU  71          1HD1      LEU  71   8.575   7.399   3.104
  772   3HD1  LEU  71          2HD1      LEU  71   7.171   6.328   2.995
  773   1HD2  LEU  71          3HD2      LEU  71   8.031   7.207  -0.538
  774   2HD2  LEU  71          1HD2      LEU  71   6.660   7.117   0.586
  775   3HD2  LEU  71          2HD2      LEU  71   7.990   8.262   0.879
  776    QB   LEU  71           QB       LEU  71  10.200   5.557   0.612
  777    QD1  LEU  71           QD1      LEU  71   8.171   6.460   3.159
  778    QD2  LEU  71           QD2      LEU  71   7.560   7.529   0.309
  779    QQD  LEU  71           QQD      LEU  71   7.866   6.994   1.734
  780    H    LYS  72           H        LYS  72  11.362   9.340   2.604
  781    HA   LYS  72           HA       LYS  72  12.304   7.937   5.046
  782   1HB   LYS  72          1HB       LYS  72  14.108   8.655   3.429
  783   2HB   LYS  72          2HB       LYS  72  13.594  10.316   3.659
  784   1HG   LYS  72          1HG       LYS  72  15.542   9.817   4.975
  785   2HG   LYS  72          2HG       LYS  72  14.199  10.170   6.071
  786   1HD   LYS  72          1HD       LYS  72  13.957   7.893   6.689
  787   2HD   LYS  72          2HD       LYS  72  14.872   7.303   5.302
  788   1HE   LYS  72          1HE       LYS  72  16.028   8.803   7.696
  789   2HE   LYS  72          2HE       LYS  72  16.071   7.061   7.402
  790   1HZ   LYS  72          3HZ       LYS  72  17.280   7.636   5.284
  791   2HZ   LYS  72          1HZ       LYS  72  17.517   9.138   5.936
  792   3HZ   LYS  72          2HZ       LYS  72  18.100   7.786   6.701
  793    QB   LYS  72           QB       LYS  72  13.851   9.485   3.544
  794    QG   LYS  72           QG       LYS  72  14.870   9.993   5.523
  795    QD   LYS  72           QD       LYS  72  14.415   7.598   5.996
  796    QE   LYS  72           QE       LYS  72  16.049   7.932   7.549
  797    QZ   LYS  72           QZ       LYS  72  17.632   8.187   5.974
  798    H    GLY  73           H        GLY  73  10.530   8.289   6.218
  799   1HA   GLY  73          1HA       GLY  73   9.535   9.875   7.837
  800   2HA   GLY  73          2HA       GLY  73   9.447  11.061   6.529
  801    QA   GLY  73           QA       GLY  73   9.491  10.468   7.183
  802    H    SER  74           H        SER  74   8.137   8.327   7.940
  803    HA   SER  74           HA       SER  74   5.759   8.281   8.026
  804   1HB   SER  74          1HB       SER  74   4.345   7.671   6.237
  805   2HB   SER  74          2HB       SER  74   5.206   9.146   5.817
  806    HG   SER  74           HG       SER  74   5.679   6.497   4.883
  807    QB   SER  74           QB       SER  74   4.776   8.408   6.027
  808    H    GLY  75           H        GLY  75   5.094   6.411   8.964
  809   1HA   GLY  75          1HA       GLY  75   5.396   4.283   9.789
  810   2HA   GLY  75          2HA       GLY  75   6.590   3.914   8.518
  811    QA   GLY  75           QA       GLY  75   5.993   4.099   9.153
  812    H    CYS  76           H        CYS  76   7.836   3.135  10.359
  813    HA   CYS  76           HA       CYS  76   9.124   3.066  12.127
  814   1HB   CYS  76          1HB       CYS  76  10.601   4.552  10.619
  815   2HB   CYS  76          2HB       CYS  76  10.063   5.889  11.654
  816    HG   CYS  76           HG       CYS  76  10.794   4.867  13.890
  817    QB   CYS  76           QB       CYS  76  10.332   5.221  11.137
   
  No H/Q in entry =         817
  Start of MODEL   19
    1    H    MET   0           H        MET   0   8.278  -3.591  11.683
    2    HA   MET   0           HA       MET   0   9.677  -2.096   9.548
    3   1HB   MET   0          1HB       MET   0  10.565  -4.371  11.334
    4   2HB   MET   0          2HB       MET   0  11.425  -3.957   9.845
    5   1HG   MET   0          1HG       MET   0  10.814  -1.874  11.963
    6   2HG   MET   0          2HG       MET   0  12.261  -2.875  12.033
    7   1HE   MET   0          2HE       MET   0  13.830  -3.162   9.912
    8   2HE   MET   0          3HE       MET   0  14.611  -1.631   9.481
    9   3HE   MET   0          1HE       MET   0  14.445  -2.089  11.189
   10    QB   MET   0           QB       MET   0  10.995  -4.164  10.590
   11    QG   MET   0           QG       MET   0  11.538  -2.374  11.998
   12    QE   MET   0           QE       MET   0  14.295  -2.294  10.194
   13    H    GLY   1           H        GLY   1   9.396  -2.757   7.500
   14   1HA   GLY   1          1HA       GLY   1   8.774  -4.869   6.085
   15   2HA   GLY   1          2HA       GLY   1   7.330  -4.841   7.105
   16    QA   GLY   1           QA       GLY   1   8.052  -4.855   6.595
   17    H    LYS   2           H        LYS   2   7.715  -1.785   7.121
   18    HA   LYS   2           HA       LYS   2   6.133  -0.497   5.422
   19   1HB   LYS   2          1HB       LYS   2   7.720   1.459   5.821
   20   2HB   LYS   2          2HB       LYS   2   7.207   0.608   7.255
   21   1HG   LYS   2          1HG       LYS   2   9.294  -0.450   7.583
   22   2HG   LYS   2          2HG       LYS   2   9.762  -0.319   5.906
   23   1HD   LYS   2          1HD       LYS   2   9.489   2.273   7.316
   24   2HD   LYS   2          2HD       LYS   2  10.735   1.198   7.934
   25   1HE   LYS   2          1HE       LYS   2  11.740   2.607   6.275
   26   2HE   LYS   2          2HE       LYS   2  11.689   0.961   5.655
   27   1HZ   LYS   2          1HZ       LYS   2   9.762   3.088   4.959
   28   2HZ   LYS   2          2HZ       LYS   2  11.057   2.617   4.039
   29   3HZ   LYS   2          3HZ       LYS   2   9.799   1.575   4.300
   30    QB   LYS   2           QB       LYS   2   7.463   1.033   6.538
   31    QG   LYS   2           QG       LYS   2   9.528  -0.385   6.745
   32    QD   LYS   2           QD       LYS   2  10.112   1.736   7.625
   33    QE   LYS   2           QE       LYS   2  11.714   1.784   5.965
   34    QZ   LYS   2           QZ       LYS   2  10.206   2.427   4.432
   35    H    ASP   3           H        ASP   3   6.819  -2.164   3.410
   36    HA   ASP   3           HA       ASP   3   8.760  -0.771   1.632
   37   1HB   ASP   3          1HB       ASP   3   8.599  -3.242   1.574
   38   2HB   ASP   3          2HB       ASP   3   6.886  -3.119   1.165
   39    QB   ASP   3           QB       ASP   3   7.742  -3.180   1.370
   40    H    TYR   4           H        TYR   4   5.364  -0.897   2.318
   41    HA   TYR   4           HA       TYR   4   3.557   0.161   1.707
   42   1HB   TYR   4          1HB       TYR   4   5.260   2.081   0.136
   43   2HB   TYR   4          2HB       TYR   4   3.561   2.278   0.536
   44    HD1  TYR   4          1HD       TYR   4   3.319   1.557   3.394
   45    HD2  TYR   4          2HD       TYR   4   6.542   3.622   1.384
   46    HE1  TYR   4          1HE       TYR   4   3.821   2.731   5.449
   47    HE2  TYR   4          2HE       TYR   4   6.998   4.873   3.463
   48    HH   TYR   4           HH       TYR   4   5.069   4.395   6.480
   49    QB   TYR   4           QB       TYR   4   4.410   2.179   0.336
   50    QG   TYR   4           QD       TYR   4   4.931   2.590   2.389
   51    QZ   TYR   4           QE       TYR   4   5.410   3.802   4.456
   52    QR   TYR   4           QR       TYR   4   5.170   3.196   3.423
   53    H    TYR   5           H        TYR   5   5.604  -0.073  -1.192
   54    HA   TYR   5           HA       TYR   5   3.618  -0.506  -3.190
   55   1HB   TYR   5          1HB       TYR   5   6.450  -0.458  -2.993
   56   2HB   TYR   5          2HB       TYR   5   6.107  -2.114  -3.437
   57    HD1  TYR   5          2HD       TYR   5   3.896  -1.933  -5.210
   58    HD2  TYR   5          1HD       TYR   5   7.546   0.277  -4.990
   59    HE1  TYR   5          2HE       TYR   5   3.941  -1.775  -7.677
   60    HE2  TYR   5          1HE       TYR   5   7.481   0.682  -7.424
   61    HH   TYR   5           HH       TYR   5   6.010   0.481  -9.400
   62    QB   TYR   5           QB       TYR   5   6.279  -1.286  -3.215
   63    QG   TYR   5           QD       TYR   5   5.721  -0.828  -5.100
   64    QZ   TYR   5           QE       TYR   5   5.711  -0.547  -7.550
   65    QR   TYR   5           QR       TYR   5   5.716  -0.687  -6.325
   66    H    GLN   6           H        GLN   6   5.634  -2.950  -1.522
   67    HA   GLN   6           HA       GLN   6   3.977  -5.191  -2.190
   68   1HB   GLN   6          1HB       GLN   6   6.491  -4.993  -1.938
   69   2HB   GLN   6          2HB       GLN   6   6.268  -4.959  -0.195
   70   1HG   GLN   6          1HG       GLN   6   5.449  -7.231  -0.180
   71   2HG   GLN   6          2HG       GLN   6   5.284  -7.236  -1.946
   72   1HE2  GLN   6          2HE2      GLN   6   9.178  -7.247  -0.482
   73   2HE2  GLN   6          1HE2      GLN   6   7.918  -6.519   0.486
   74    QB   GLN   6           QB       GLN   6   6.380  -4.976  -1.067
   75    QG   GLN   6           QG       GLN   6   5.366  -7.234  -1.063
   76    QE2  GLN   6           QE2      GLN   6   8.548  -6.883   0.002
   77    H    THR   7           H        THR   7   4.091  -3.002   0.531
   78    HA   THR   7           HA       THR   7   2.693  -4.665   2.392
   79    HB   THR   7           HB       THR   7   2.631  -1.667   1.982
   80    HG1  THR   7          1HG       THR   7   4.014  -2.452   4.140
   81   1HG2  THR   7          2HG2      THR   7   1.693  -3.332   4.320
   82   2HG2  THR   7          3HG2      THR   7   1.996  -1.576   4.379
   83   3HG2  THR   7          1HG2      THR   7   0.772  -2.210   3.306
   84    QG2  THR   7           QG2      THR   7   1.487  -2.373   4.001
   85    H    LEU   8           H        LEU   8   1.637  -2.873  -0.407
   86    HA   LEU   8           HA       LEU   8  -1.194  -3.604   0.121
   87   1HB   LEU   8          1HB       LEU   8  -0.472  -1.288  -0.700
   88   2HB   LEU   8          2HB       LEU   8  -0.186  -2.058  -2.249
   89    HG   LEU   8           HG       LEU   8  -2.677  -2.885  -2.093
   90   1HD1  LEU   8          2HD1      LEU   8  -2.567  -0.877   0.187
   91   2HD1  LEU   8          3HD1      LEU   8  -4.069  -1.305  -0.625
   92   3HD1  LEU   8          1HD1      LEU   8  -3.158  -2.552   0.217
   93   1HD2  LEU   8          1HD2      LEU   8  -1.876  -0.933  -3.514
   94   2HD2  LEU   8          2HD2      LEU   8  -3.571  -1.018  -3.082
   95   3HD2  LEU   8          3HD2      LEU   8  -2.489   0.118  -2.223
   96    QB   LEU   8           QB       LEU   8  -0.329  -1.673  -1.475
   97    QD1  LEU   8           QD1      LEU   8  -3.265  -1.578  -0.074
   98    QD2  LEU   8           QD2      LEU   8  -2.645  -0.611  -2.940
   99    QQD  LEU   8           QQD      LEU   8  -2.955  -1.094  -1.507
  100    H    GLY   9           H        GLY   9   1.488  -5.057  -1.253
  101   1HA   GLY   9          1HA       GLY   9   1.567  -7.132  -2.241
  102   2HA   GLY   9          2HA       GLY   9  -0.170  -7.091  -2.531
  103    QA   GLY   9           QA       GLY   9   0.698  -7.111  -2.386
  104    H    LEU  10           H        LEU  10   2.298  -4.670  -3.559
  105    HA   LEU  10           HA       LEU  10   2.071  -5.501  -6.402
  106   1HB   LEU  10          1HB       LEU  10   2.017  -2.708  -5.249
  107   2HB   LEU  10          2HB       LEU  10   2.232  -3.079  -6.950
  108    HG   LEU  10           HG       LEU  10  -0.185  -4.390  -6.068
  109   1HD1  LEU  10          2HD1      LEU  10   0.183  -1.502  -5.179
  110   2HD1  LEU  10          3HD1      LEU  10  -1.391  -2.208  -5.482
  111   3HD1  LEU  10          1HD1      LEU  10  -0.352  -2.917  -4.229
  112   1HD2  LEU  10          3HD2      LEU  10   0.388  -3.501  -8.373
  113   2HD2  LEU  10          1HD2      LEU  10  -1.223  -3.131  -7.751
  114   3HD2  LEU  10          2HD2      LEU  10   0.030  -1.873  -7.736
  115    QB   LEU  10           QB       LEU  10   2.124  -2.893  -6.100
  116    QD1  LEU  10           QD1      LEU  10  -0.520  -2.209  -4.964
  117    QD2  LEU  10           QD2      LEU  10  -0.268  -2.835  -7.953
  118    QQD  LEU  10           QQD      LEU  10  -0.394  -2.522  -6.458
  119    H    ALA  11           H        ALA  11   4.048  -4.660  -7.587
  120    HA   ALA  11           HA       ALA  11   6.161  -3.320  -6.299
  121   1HB   ALA  11          1HB       ALA  11   6.601  -5.468  -5.186
  122   2HB   ALA  11          2HB       ALA  11   6.679  -6.260  -6.791
  123   3HB   ALA  11          3HB       ALA  11   7.878  -5.011  -6.315
  124    QB   ALA  11           QB       ALA  11   7.053  -5.580  -6.097
  125    H    ARG  12           H        ARG  12   7.573  -2.607  -7.839
  126    HA   ARG  12           HA       ARG  12   8.058  -1.853  -9.954
  127   1HB   ARG  12          1HB       ARG  12   9.673  -3.248 -10.978
  128   2HB   ARG  12          2HB       ARG  12   9.892  -3.239  -9.248
  129   1HG   ARG  12          1HG       ARG  12   8.520  -5.565 -10.686
  130   2HG   ARG  12          2HG       ARG  12  10.259  -5.373 -10.593
  131   1HD   ARG  12          1HD       ARG  12  10.012  -5.302  -8.039
  132   2HD   ARG  12          2HD       ARG  12   8.354  -5.848  -8.330
  133    HE   ARG  12           HE       ARG  12   9.038  -7.917  -8.959
  134   1HH1  ARG  12          2HH2      ARG  12  11.924  -5.841  -8.705
  135   2HH1  ARG  12          1HH2      ARG  12  13.046  -7.136  -8.587
  136   1HH2  ARG  12          2HH1      ARG  12  10.570  -9.632  -9.249
  137   2HH2  ARG  12          1HH1      ARG  12  12.260  -9.352  -9.124
  138    QB   ARG  12           QB       ARG  12   9.783  -3.243 -10.113
  139    QG   ARG  12           QG       ARG  12   9.389  -5.469 -10.639
  140    QD   ARG  12           QD       ARG  12   9.183  -5.575  -8.185
  141    QH1  ARG  12           QH2      ARG  12  12.485  -6.489  -8.646
  142    QH2  ARG  12           QH1      ARG  12  11.415  -9.492  -9.186
  143    H    GLY  13           H        GLY  13   5.559  -1.987 -10.227
  144   1HA   GLY  13          1HA       GLY  13   4.828  -2.648 -12.888
  145   2HA   GLY  13          2HA       GLY  13   4.557  -4.084 -11.883
  146    QA   GLY  13           QA       GLY  13   4.692  -3.366 -12.385
  147    H    ALA  14           H        ALA  14   3.923  -1.749  -9.656
  148    HA   ALA  14           HA       ALA  14   1.108  -1.681  -9.937
  149   1HB   ALA  14          2HB       ALA  14   2.977   0.421  -8.748
  150   2HB   ALA  14          3HB       ALA  14   1.222   0.509  -8.650
  151   3HB   ALA  14          1HB       ALA  14   2.047  -0.831  -7.872
  152    QB   ALA  14           QB       ALA  14   2.082   0.033  -8.423
  153    H    SER  15           H        SER  15  -0.339  -0.155 -10.677
  154    HA   SER  15           HA       SER  15   0.466   2.283 -11.964
  155   1HB   SER  15          1HB       SER  15  -1.110   2.029 -13.833
  156   2HB   SER  15          2HB       SER  15   0.065   0.713 -13.934
  157    HG   SER  15           HG       SER  15  -2.218   0.099 -14.150
  158    QB   SER  15           QB       SER  15  -0.522   1.371 -13.883
  159    H    ASP  16           H        ASP  16  -1.770   3.575 -12.176
  160    HA   ASP  16           HA       ASP  16  -2.559   3.739  -9.468
  161   1HB   ASP  16          1HB       ASP  16  -2.431   5.596 -11.165
  162   2HB   ASP  16          2HB       ASP  16  -3.893   4.958 -11.928
  163    QB   ASP  16           QB       ASP  16  -3.162   5.277 -11.547
  164    H    GLU  17           H        GLU  17  -3.832   2.039 -12.186
  165    HA   GLU  17           HA       GLU  17  -6.495   1.310 -11.191
  166   1HB   GLU  17          1HB       GLU  17  -6.098   1.534 -13.553
  167   2HB   GLU  17          2HB       GLU  17  -4.668   0.508 -13.486
  168   1HG   GLU  17          1HG       GLU  17  -5.996  -1.471 -13.098
  169   2HG   GLU  17          2HG       GLU  17  -7.459  -0.514 -12.860
  170    QB   GLU  17           QB       GLU  17  -5.383   1.021 -13.520
  171    QG   GLU  17           QG       GLU  17  -6.727  -0.992 -12.979
  172    H    GLU  18           H        GLU  18  -3.170  -0.025 -11.023
  173    HA   GLU  18           HA       GLU  18  -4.196  -2.677 -10.323
  174   1HB   GLU  18          1HB       GLU  18  -1.820  -1.659 -11.467
  175   2HB   GLU  18          2HB       GLU  18  -1.332  -2.041  -9.847
  176   1HG   GLU  18          1HG       GLU  18  -2.423  -3.876 -11.997
  177   2HG   GLU  18          2HG       GLU  18  -0.863  -3.941 -11.202
  178    QB   GLU  18           QB       GLU  18  -1.576  -1.850 -10.657
  179    QG   GLU  18           QG       GLU  18  -1.643  -3.908 -11.600
  180    H    ILE  19           H        ILE  19  -2.839   0.300  -8.949
  181    HA   ILE  19           HA       ILE  19  -2.605  -0.566  -6.301
  182    HB   ILE  19           HB       ILE  19  -2.846   2.129  -7.610
  183   1HG1  ILE  19          1HG1      ILE  19  -0.761   0.725  -5.863
  184   2HG1  ILE  19          2HG1      ILE  19  -0.763   0.712  -7.613
  185   1HG2  ILE  19          1HG2      ILE  19  -4.109   2.408  -5.479
  186   2HG2  ILE  19          2HG2      ILE  19  -2.729   1.724  -4.583
  187   3HG2  ILE  19          3HG2      ILE  19  -2.591   3.264  -5.466
  188   1HD1  ILE  19          1HD1      ILE  19  -0.392   3.168  -7.645
  189   2HD1  ILE  19          2HD1      ILE  19  -0.360   3.172  -5.881
  190   3HD1  ILE  19          3HD1      ILE  19   0.879   2.287  -6.760
  191    QG1  ILE  19           QG1      ILE  19  -0.762   0.718  -6.738
  192    QG2  ILE  19           QG2      ILE  19  -3.143   2.465  -5.176
  193    QD1  ILE  19           QD1      ILE  19   0.042   2.876  -6.762
  194    H    LYS  20           H        LYS  20  -5.371   1.248  -7.803
  195    HA   LYS  20           HA       LYS  20  -7.139   0.866  -5.648
  196   1HB   LYS  20          1HB       LYS  20  -7.581   1.283  -8.609
  197   2HB   LYS  20          2HB       LYS  20  -8.948   0.925  -7.540
  198   1HG   LYS  20          1HG       LYS  20  -8.322   2.781  -6.046
  199   2HG   LYS  20          2HG       LYS  20  -6.989   3.223  -7.113
  200   1HD   LYS  20          1HD       LYS  20  -9.672   2.981  -8.433
  201   2HD   LYS  20          2HD       LYS  20  -9.555   4.225  -7.201
  202   1HE   LYS  20          1HE       LYS  20  -9.079   5.146  -9.416
  203   2HE   LYS  20          2HE       LYS  20  -7.705   5.302  -8.325
  204   1HZ   LYS  20          2HZ       LYS  20  -6.712   3.376  -9.410
  205   2HZ   LYS  20          3HZ       LYS  20  -7.960   3.353 -10.523
  206   3HZ   LYS  20          1HZ       LYS  20  -6.916   4.648 -10.360
  207    QB   LYS  20           QB       LYS  20  -8.265   1.104  -8.074
  208    QG   LYS  20           QG       LYS  20  -7.655   3.002  -6.580
  209    QD   LYS  20           QD       LYS  20  -9.614   3.603  -7.817
  210    QE   LYS  20           QE       LYS  20  -8.392   5.224  -8.871
  211    QZ   LYS  20           QZ       LYS  20  -7.196   3.792 -10.098
  212    H    ARG  21           H        ARG  21  -6.361  -1.467  -8.238
  213    HA   ARG  21           HA       ARG  21  -8.479  -3.263  -7.580
  214   1HB   ARG  21          1HB       ARG  21  -7.077  -3.138  -9.726
  215   2HB   ARG  21          2HB       ARG  21  -5.754  -3.840  -8.855
  216   1HG   ARG  21          1HG       ARG  21  -6.653  -5.660  -9.978
  217   2HG   ARG  21          2HG       ARG  21  -7.354  -5.861  -8.376
  218   1HD   ARG  21          1HD       ARG  21  -8.725  -4.554 -10.777
  219   2HD   ARG  21          2HD       ARG  21  -8.967  -6.223 -10.294
  220    HE   ARG  21           HE       ARG  21 -10.039  -3.792  -9.061
  221   1HH1  ARG  21          2HH2      ARG  21  -9.721  -7.329  -8.707
  222   2HH1  ARG  21          1HH2      ARG  21 -11.012  -7.438  -7.554
  223   1HH2  ARG  21          2HH1      ARG  21 -11.435  -3.886  -7.354
  224   2HH2  ARG  21          1HH1      ARG  21 -11.884  -5.394  -6.619
  225    QB   ARG  21           QB       ARG  21  -6.416  -3.489  -9.290
  226    QG   ARG  21           QG       ARG  21  -7.004  -5.761  -9.177
  227    QD   ARG  21           QD       ARG  21  -8.846  -5.388 -10.536
  228    QH1  ARG  21           QH2      ARG  21 -10.366  -7.384  -8.130
  229    QH2  ARG  21           QH1      ARG  21 -11.660  -4.640  -6.987
  230    H    ALA  22           H        ALA  22  -5.047  -3.244  -6.785
  231    HA   ALA  22           HA       ALA  22  -4.975  -5.398  -4.976
  232   1HB   ALA  22          1HB       ALA  22  -2.997  -4.365  -6.047
  233   2HB   ALA  22          2HB       ALA  22  -3.277  -2.922  -5.033
  234   3HB   ALA  22          3HB       ALA  22  -2.831  -4.468  -4.280
  235    QB   ALA  22           QB       ALA  22  -3.035  -3.918  -5.120
  236    H    TYR  23           H        TYR  23  -5.817  -1.917  -4.388
  237    HA   TYR  23           HA       TYR  23  -5.681  -1.693  -1.737
  238   1HB   TYR  23          1HB       TYR  23  -6.803  -0.391  -3.966
  239   2HB   TYR  23          2HB       TYR  23  -8.180  -0.698  -2.988
  240    HD1  TYR  23          2HD       TYR  23  -4.762   0.729  -2.864
  241    HD2  TYR  23          1HD       TYR  23  -8.864   1.001  -1.542
  242    HE1  TYR  23          2HE       TYR  23  -4.239   2.870  -1.758
  243    HE2  TYR  23          1HE       TYR  23  -8.373   3.192  -0.517
  244    HH   TYR  23           HH       TYR  23  -5.082   4.497  -0.305
  245    QB   TYR  23           QB       TYR  23  -7.491  -0.545  -3.477
  246    QG   TYR  23           QD       TYR  23  -6.813   0.865  -2.203
  247    QZ   TYR  23           QE       TYR  23  -6.306   3.031  -1.138
  248    QR   TYR  23           QR       TYR  23  -6.560   1.948  -1.670
  249    H    ARG  24           H        ARG  24  -8.769  -2.698  -3.315
  250    HA   ARG  24           HA       ARG  24  -9.789  -3.736  -0.821
  251   1HB   ARG  24          1HB       ARG  24 -10.721  -3.800  -3.678
  252   2HB   ARG  24          2HB       ARG  24 -11.263  -5.106  -2.624
  253   1HG   ARG  24          1HG       ARG  24 -11.998  -3.328  -0.929
  254   2HG   ARG  24          2HG       ARG  24 -11.764  -2.136  -2.237
  255   1HD   ARG  24          1HD       ARG  24 -13.259  -3.477  -3.682
  256   2HD   ARG  24          2HD       ARG  24 -13.482  -4.670  -2.404
  257    HE   ARG  24           HE       ARG  24 -14.700  -2.040  -2.698
  258   1HH1  ARG  24          2HH2      ARG  24 -13.993  -4.314  -0.018
  259   2HH1  ARG  24          1HH2      ARG  24 -15.630  -4.491   0.445
  260   1HH2  ARG  24          2HH1      ARG  24 -16.856  -2.143  -1.957
  261   2HH2  ARG  24          1HH1      ARG  24 -17.149  -2.808  -0.366
  262    QB   ARG  24           QB       ARG  24 -10.992  -4.453  -3.151
  263    QG   ARG  24           QG       ARG  24 -11.881  -2.732  -1.583
  264    QD   ARG  24           QD       ARG  24 -13.370  -4.074  -3.043
  265    QH1  ARG  24           QH2      ARG  24 -14.811  -4.402   0.213
  266    QH2  ARG  24           QH1      ARG  24 -17.003  -2.476  -1.162
  267    H    ARG  25           H        ARG  25  -7.785  -5.195  -3.363
  268    HA   ARG  25           HA       ARG  25  -8.223  -7.910  -2.672
  269   1HB   ARG  25          1HB       ARG  25  -6.808  -7.008  -4.629
  270   2HB   ARG  25          2HB       ARG  25  -5.551  -6.710  -3.433
  271   1HG   ARG  25          1HG       ARG  25  -4.805  -8.628  -4.191
  272   2HG   ARG  25          2HG       ARG  25  -5.761  -9.254  -2.857
  273   1HD   ARG  25          1HD       ARG  25  -7.341 -10.216  -4.274
  274   2HD   ARG  25          2HD       ARG  25  -7.119  -9.011  -5.546
  275    HE   ARG  25           HE       ARG  25  -5.573 -11.456  -5.083
  276   1HH1  ARG  25          2HH2      ARG  25  -5.604  -8.334  -6.760
  277   2HH1  ARG  25          1HH2      ARG  25  -4.233  -8.639  -7.748
  278   1HH2  ARG  25          2HH1      ARG  25  -3.879 -12.019  -6.538
  279   2HH2  ARG  25          1HH1      ARG  25  -3.224 -10.824  -7.600
  280    QB   ARG  25           QB       ARG  25  -6.179  -6.859  -4.031
  281    QG   ARG  25           QG       ARG  25  -5.283  -8.941  -3.524
  282    QD   ARG  25           QD       ARG  25  -7.230  -9.614  -4.910
  283    QH1  ARG  25           QH2      ARG  25  -4.919  -8.487  -7.254
  284    QH2  ARG  25           QH1      ARG  25  -3.552 -11.421  -7.069
  285    H    GLN  26           H        GLN  26  -5.697  -5.606  -1.363
  286    HA   GLN  26           HA       GLN  26  -4.805  -7.422   0.541
  287   1HB   GLN  26          1HB       GLN  26  -3.745  -5.311  -0.706
  288   2HB   GLN  26          2HB       GLN  26  -4.479  -4.406   0.606
  289   1HG   GLN  26          1HG       GLN  26  -2.340  -4.889   1.346
  290   2HG   GLN  26          2HG       GLN  26  -3.309  -6.145   2.132
  291   1HE2  GLN  26          2HE2      GLN  26  -0.132  -7.573   0.514
  292   2HE2  GLN  26          1HE2      GLN  26  -0.359  -6.073   1.420
  293    QB   GLN  26           QB       GLN  26  -4.112  -4.858  -0.050
  294    QG   GLN  26           QG       GLN  26  -2.825  -5.517   1.739
  295    QE2  GLN  26           QE2      GLN  26  -0.245  -6.823   0.967
  296    H    ALA  27           H        ALA  27  -7.104  -4.612   0.724
  297    HA   ALA  27           HA       ALA  27  -7.448  -4.654   3.529
  298   1HB   ALA  27          2HB       ALA  27  -8.377  -2.899   2.049
  299   2HB   ALA  27          3HB       ALA  27  -9.556  -4.065   1.403
  300   3HB   ALA  27          1HB       ALA  27  -9.616  -3.592   3.111
  301    QB   ALA  27           QB       ALA  27  -9.183  -3.519   2.188
  302    H    LEU  28           H        LEU  28  -9.218  -6.501   0.977
  303    HA   LEU  28           HA       LEU  28 -10.741  -8.072   2.759
  304   1HB   LEU  28          1HB       LEU  28 -11.233  -7.844   0.346
  305   2HB   LEU  28          2HB       LEU  28  -9.769  -8.758  -0.028
  306    HG   LEU  28           HG       LEU  28 -10.704 -10.733   1.197
  307   1HD1  LEU  28          1HD1      LEU  28 -13.207  -8.994   1.405
  308   2HD1  LEU  28          2HD1      LEU  28 -13.147 -10.737   1.734
  309   3HD1  LEU  28          3HD1      LEU  28 -12.254  -9.627   2.766
  310   1HD2  LEU  28          1HD2      LEU  28 -12.413  -9.606  -1.042
  311   2HD2  LEU  28          2HD2      LEU  28 -10.974 -10.640  -1.182
  312   3HD2  LEU  28          3HD2      LEU  28 -12.443 -11.288  -0.462
  313    QB   LEU  28           QB       LEU  28 -10.501  -8.301   0.159
  314    QD1  LEU  28           QD1      LEU  28 -12.869  -9.786   1.968
  315    QD2  LEU  28           QD2      LEU  28 -11.943 -10.511  -0.895
  316    QQD  LEU  28           QQD      LEU  28 -12.406 -10.149   0.536
  317    H    ARG  29           H        ARG  29  -7.456  -8.608   1.403
  318    HA   ARG  29           HA       ARG  29  -7.142 -11.235   2.101
  319   1HB   ARG  29          1HB       ARG  29  -5.670  -9.889   0.669
  320   2HB   ARG  29          2HB       ARG  29  -4.958  -9.136   2.091
  321   1HG   ARG  29          1HG       ARG  29  -4.113 -11.344   2.836
  322   2HG   ARG  29          2HG       ARG  29  -4.998 -12.104   1.489
  323   1HD   ARG  29          1HD       ARG  29  -3.687 -10.640  -0.088
  324   2HD   ARG  29          2HD       ARG  29  -2.684 -10.129   1.268
  325    HE   ARG  29           HE       ARG  29  -2.191 -12.605   1.585
  326   1HH1  ARG  29          2HH2      ARG  29  -2.787 -11.161  -1.635
  327   2HH1  ARG  29          1HH2      ARG  29  -2.011 -12.400  -2.521
  328   1HH2  ARG  29          2HH1      ARG  29  -0.894 -14.101   0.432
  329   2HH2  ARG  29          1HH1      ARG  29  -1.001 -14.210  -1.305
  330    QB   ARG  29           QB       ARG  29  -5.314  -9.513   1.380
  331    QG   ARG  29           QG       ARG  29  -4.555 -11.724   2.162
  332    QD   ARG  29           QD       ARG  29  -3.186 -10.385   0.590
  333    QH1  ARG  29           QH2      ARG  29  -2.399 -11.780  -2.078
  334    QH2  ARG  29           QH1      ARG  29  -0.947 -14.155  -0.437
  335    H    TYR  30           H        TYR  30  -6.805  -8.443   4.281
  336    HA   TYR  30           HA       TYR  30  -6.162 -10.292   6.521
  337   1HB   TYR  30          1HB       TYR  30  -5.398  -7.391   6.140
  338   2HB   TYR  30          2HB       TYR  30  -5.002  -8.360   7.537
  339    HD1  TYR  30          1HD       TYR  30  -4.437  -8.029   3.900
  340    HD2  TYR  30          2HD       TYR  30  -2.976  -9.737   7.563
  341    HE1  TYR  30          1HE       TYR  30  -2.313  -8.531   2.776
  342    HE2  TYR  30          2HE       TYR  30  -0.826 -10.233   6.461
  343    HH   TYR  30           HH       TYR  30  -0.179  -9.380   3.019
  344    QB   TYR  30           QB       TYR  30  -5.200  -7.875   6.838
  345    QG   TYR  30           QD       TYR  30  -3.706  -8.883   5.731
  346    QZ   TYR  30           QE       TYR  30  -1.569  -9.382   4.618
  347    QR   TYR  30           QR       TYR  30  -2.638  -9.133   5.175
  348    H    HIS  31           H        HIS  31  -8.739  -8.578   5.336
  349    HA   HIS  31           HA       HIS  31  -9.902  -7.033   7.258
  350   1HB   HIS  31          1HB       HIS  31 -10.668  -8.359   4.881
  351   2HB   HIS  31          2HB       HIS  31 -11.768  -9.009   6.045
  352    HD1  HIS  31          1HD       HIS  31 -12.485  -5.976   7.533
  353    HD2  HIS  31          2HD       HIS  31 -12.437  -7.182   3.472
  354    HE1  HIS  31          1HE       HIS  31 -13.952  -4.430   6.325
  355    QB   HIS  31           QB       HIS  31 -11.218  -8.684   5.463
  356    HA   PRO  32           HA       PRO  32 -10.241  -9.918  10.713
  357   1HB   PRO  32          1HB       PRO  32 -12.170  -8.689  12.245
  358   2HB   PRO  32          2HB       PRO  32 -10.465  -8.167  12.157
  359   1HG   PRO  32          1HG       PRO  32 -12.830  -7.054  10.653
  360   2HG   PRO  32          2HG       PRO  32 -11.496  -6.173  11.480
  361   1HD   PRO  32          1HD       PRO  32 -11.521  -6.586   8.798
  362   2HD   PRO  32          2HD       PRO  32 -10.000  -6.602   9.725
  363    QB   PRO  32           QB       PRO  32 -11.318  -8.428  12.201
  364    QG   PRO  32           QG       PRO  32 -12.163  -6.614  11.067
  365    QD   PRO  32           QD       PRO  32 -10.760  -6.594   9.262
  366    H    ASP  33           H        ASP  33 -13.003  -9.061   8.694
  367    HA   ASP  33           HA       ASP  33 -14.613 -11.261   9.722
  368   1HB   ASP  33          1HB       ASP  33 -15.766  -9.333   8.832
  369   2HB   ASP  33          2HB       ASP  33 -14.898  -9.466   7.291
  370    QB   ASP  33           QB       ASP  33 -15.332  -9.400   8.061
  371    H    LYS  34           H        LYS  34 -12.289 -10.771   7.075
  372    HA   LYS  34           HA       LYS  34 -13.178 -13.242   5.704
  373   1HB   LYS  34          1HB       LYS  34 -12.681 -11.500   4.234
  374   2HB   LYS  34          2HB       LYS  34 -11.172 -11.084   5.041
  375   1HG   LYS  34          1HG       LYS  34 -11.574 -13.730   3.598
  376   2HG   LYS  34          2HG       LYS  34 -11.061 -12.269   2.788
  377   1HD   LYS  34          1HD       LYS  34  -9.187 -12.283   4.731
  378   2HD   LYS  34          2HD       LYS  34  -9.477 -14.027   4.638
  379   1HE   LYS  34          1HE       LYS  34  -8.979 -12.317   2.181
  380   2HE   LYS  34          2HE       LYS  34  -7.646 -12.949   3.165
  381   1HZ   LYS  34          3HZ       LYS  34  -9.668 -14.709   1.960
  382   2HZ   LYS  34          1HZ       LYS  34  -8.237 -14.303   1.249
  383   3HZ   LYS  34          2HZ       LYS  34  -8.226 -15.117   2.673
  384    QB   LYS  34           QB       LYS  34 -11.927 -11.292   4.638
  385    QG   LYS  34           QG       LYS  34 -11.317 -12.999   3.193
  386    QD   LYS  34           QD       LYS  34  -9.332 -13.155   4.685
  387    QE   LYS  34           QE       LYS  34  -8.312 -12.633   2.673
  388    QZ   LYS  34           QZ       LYS  34  -8.710 -14.710   1.961
  389    H    ASN  35           H        ASN  35 -10.230 -12.034   7.445
  390    HA   ASN  35           HA       ASN  35  -8.949 -14.629   6.889
  391   1HB   ASN  35          1HB       ASN  35  -7.965 -11.973   7.575
  392   2HB   ASN  35          2HB       ASN  35  -7.380 -13.132   8.771
  393   1HD2  ASN  35          2HD2      ASN  35  -4.807 -13.064   6.190
  394   2HD2  ASN  35          1HD2      ASN  35  -5.421 -11.946   7.381
  395    QB   ASN  35           QB       ASN  35  -7.672 -12.552   8.173
  396    QD2  ASN  35           QD2      ASN  35  -5.114 -12.505   6.785
  397    H    LYS  36           H        LYS  36  -9.279 -12.797   9.880
  398    HA   LYS  36           HA       LYS  36 -10.489 -12.990  11.706
  399   1HB   LYS  36          1HB       LYS  36 -10.271 -15.827  11.095
  400   2HB   LYS  36          2HB       LYS  36 -11.020 -15.319  12.619
  401   1HG   LYS  36          1HG       LYS  36 -12.805 -14.148  11.395
  402   2HG   LYS  36          2HG       LYS  36 -12.126 -14.612   9.840
  403   1HD   LYS  36          1HD       LYS  36 -13.234 -16.504  11.952
  404   2HD   LYS  36          2HD       LYS  36 -14.048 -16.024  10.470
  405   1HE   LYS  36          1HE       LYS  36 -11.469 -17.653  10.645
  406   2HE   LYS  36          2HE       LYS  36 -13.083 -18.281  10.302
  407   1HZ   LYS  36          1HZ       LYS  36 -13.068 -16.849   8.281
  408   2HZ   LYS  36          2HZ       LYS  36 -11.462 -16.523   8.593
  409   3HZ   LYS  36          3HZ       LYS  36 -11.949 -18.059   8.304
  410    QB   LYS  36           QB       LYS  36 -10.646 -15.573  11.857
  411    QG   LYS  36           QG       LYS  36 -12.466 -14.380  10.618
  412    QD   LYS  36           QD       LYS  36 -13.641 -16.264  11.211
  413    QE   LYS  36           QE       LYS  36 -12.276 -17.967  10.473
  414    QZ   LYS  36           QZ       LYS  36 -12.160 -17.143   8.393
  415    H    GLU  37           H        GLU  37  -7.516 -13.204  10.802
  416    HA   GLU  37           HA       GLU  37  -6.070 -14.568  12.855
  417   1HB   GLU  37          1HB       GLU  37  -5.244 -14.130  10.545
  418   2HB   GLU  37          2HB       GLU  37  -5.353 -12.403  10.853
  419   1HG   GLU  37          1HG       GLU  37  -3.770 -12.968  12.915
  420   2HG   GLU  37          2HG       GLU  37  -3.501 -14.455  12.018
  421    QB   GLU  37           QB       GLU  37  -5.299 -13.266  10.699
  422    QG   GLU  37           QG       GLU  37  -3.636 -13.712  12.466
  423    HA   PRO  38           HA       PRO  38  -7.004 -11.000  15.464
  424   1HB   PRO  38          1HB       PRO  38  -5.897 -11.751  17.879
  425   2HB   PRO  38          2HB       PRO  38  -7.412 -12.455  17.237
  426   1HG   PRO  38          1HG       PRO  38  -4.612 -13.559  16.996
  427   2HG   PRO  38          2HG       PRO  38  -6.097 -14.412  17.532
  428   1HD   PRO  38          1HD       PRO  38  -5.183 -14.577  14.963
  429   2HD   PRO  38          2HD       PRO  38  -6.934 -14.542  15.333
  430    QB   PRO  38           QB       PRO  38  -6.655 -12.103  17.558
  431    QG   PRO  38           QG       PRO  38  -5.354 -13.986  17.264
  432    QD   PRO  38           QD       PRO  38  -6.059 -14.559  15.148
  433    H    GLY  39           H        GLY  39  -4.305 -12.024  14.632
  434   1HA   GLY  39          1HA       GLY  39  -2.438  -9.845  15.512
  435   2HA   GLY  39          2HA       GLY  39  -1.939 -11.238  14.536
  436    QA   GLY  39           QA       GLY  39  -2.189 -10.541  15.024
  437    H    ALA  40           H        ALA  40  -4.418 -10.647  12.701
  438    HA   ALA  40           HA       ALA  40  -3.016  -8.971  10.814
  439   1HB   ALA  40          3HB       ALA  40  -5.855 -10.032  10.900
  440   2HB   ALA  40          1HB       ALA  40  -5.207  -9.060   9.582
  441   3HB   ALA  40          2HB       ALA  40  -4.479 -10.629   9.931
  442    QB   ALA  40           QB       ALA  40  -5.180  -9.907  10.138
  443    H    GLU  41           H        GLU  41  -4.913  -8.201  13.599
  444    HA   GLU  41           HA       GLU  41  -6.043  -5.715  12.977
  445   1HB   GLU  41          1HB       GLU  41  -6.279  -6.854  15.141
  446   2HB   GLU  41          2HB       GLU  41  -4.552  -6.712  15.440
  447   1HG   GLU  41          1HG       GLU  41  -5.799  -5.091  16.774
  448   2HG   GLU  41          2HG       GLU  41  -4.718  -4.276  15.650
  449    QB   GLU  41           QB       GLU  41  -5.415  -6.783  15.291
  450    QG   GLU  41           QG       GLU  41  -5.258  -4.683  16.212
  451    H    GLU  42           H        GLU  42  -2.661  -6.576  13.728
  452    HA   GLU  42           HA       GLU  42  -1.713  -3.834  13.518
  453   1HB   GLU  42          1HB       GLU  42  -0.692  -5.481  15.015
  454   2HB   GLU  42          2HB       GLU  42  -0.232  -6.494  13.639
  455   1HG   GLU  42          1HG       GLU  42   1.392  -4.928  12.885
  456   2HG   GLU  42          2HG       GLU  42   0.690  -3.612  13.833
  457    QB   GLU  42           QB       GLU  42  -0.462  -5.987  14.327
  458    QG   GLU  42           QG       GLU  42   1.041  -4.270  13.359
  459    H    LYS  43           H        LYS  43  -1.538  -6.731  11.422
  460    HA   LYS  43           HA       LYS  43  -0.014  -5.472   9.471
  461   1HB   LYS  43          1HB       LYS  43  -1.355  -8.028   9.861
  462   2HB   LYS  43          2HB       LYS  43  -1.621  -7.514   8.237
  463   1HG   LYS  43          1HG       LYS  43   1.009  -7.933   9.688
  464   2HG   LYS  43          2HG       LYS  43   0.376  -8.926   8.399
  465   1HD   LYS  43          1HD       LYS  43   1.345  -6.055   8.008
  466   2HD   LYS  43          2HD       LYS  43   2.324  -7.492   7.841
  467   1HE   LYS  43          1HE       LYS  43   0.671  -8.314   6.080
  468   2HE   LYS  43          2HE       LYS  43  -0.060  -6.694   6.129
  469   1HZ   LYS  43          2HZ       LYS  43   2.186  -5.827   5.589
  470   2HZ   LYS  43          3HZ       LYS  43   2.748  -7.358   5.498
  471   3HZ   LYS  43          1HZ       LYS  43   1.648  -6.861   4.388
  472    QB   LYS  43           QB       LYS  43  -1.488  -7.771   9.049
  473    QG   LYS  43           QG       LYS  43   0.692  -8.429   9.043
  474    QD   LYS  43           QD       LYS  43   1.834  -6.774   7.925
  475    QE   LYS  43           QE       LYS  43   0.306  -7.504   6.105
  476    QZ   LYS  43           QZ       LYS  43   2.194  -6.682   5.158
  477    H    PHE  44           H        PHE  44  -3.485  -5.442  10.003
  478    HA   PHE  44           HA       PHE  44  -4.281  -4.344   7.483
  479   1HB   PHE  44          1HB       PHE  44  -5.736  -5.497   9.120
  480   2HB   PHE  44          2HB       PHE  44  -5.568  -4.150  10.206
  481    HD1  PHE  44          1HD       PHE  44  -7.073  -5.382   7.084
  482    HD2  PHE  44          2HD       PHE  44  -6.838  -2.022   9.787
  483    HE1  PHE  44          1HE       PHE  44  -9.142  -4.450   6.097
  484    HE2  PHE  44          2HE       PHE  44  -8.924  -1.110   8.811
  485   1HZ   PHE  44           HZ       PHE  44 -10.091  -2.321   6.978
  486    QB   PHE  44           QB       PHE  44  -5.652  -4.823   9.663
  487    QG   PHE  44           QD       PHE  44  -6.956  -3.702   8.436
  488    QZ   PHE  44           QE       PHE  44  -9.033  -2.780   7.454
  489    QZ   PHE  44           QR       PHE  44  -8.414  -3.057   7.751
  490    H    LYS  45           H        LYS  45  -3.294  -2.877  10.599
  491    HA   LYS  45           HA       LYS  45  -3.529  -0.143   9.754
  492   1HB   LYS  45          1HB       LYS  45  -1.618  -1.338  11.790
  493   2HB   LYS  45          2HB       LYS  45  -1.947   0.379  11.582
  494   1HG   LYS  45          1HG       LYS  45  -4.253   0.119  12.259
  495   2HG   LYS  45          2HG       LYS  45  -4.121  -1.638  12.271
  496   1HD   LYS  45          1HD       LYS  45  -2.276  -1.398  14.026
  497   2HD   LYS  45          2HD       LYS  45  -2.729   0.326  14.110
  498   1HE   LYS  45          1HE       LYS  45  -5.083  -0.385  14.617
  499   2HE   LYS  45          2HE       LYS  45  -4.544  -2.074  14.623
  500   1HZ   LYS  45          2HZ       LYS  45  -3.575   0.056  16.420
  501   2HZ   LYS  45          3HZ       LYS  45  -4.664  -1.083  16.828
  502   3HZ   LYS  45          1HZ       LYS  45  -3.101  -1.535  16.488
  503    QB   LYS  45           QB       LYS  45  -1.783  -0.480  11.686
  504    QG   LYS  45           QG       LYS  45  -4.187  -0.759  12.265
  505    QD   LYS  45           QD       LYS  45  -2.503  -0.536  14.068
  506    QE   LYS  45           QE       LYS  45  -4.813  -1.230  14.620
  507    QZ   LYS  45           QZ       LYS  45  -3.780  -0.854  16.579
  508    H    GLU  46           H        GLU  46  -0.821  -2.531   9.385
  509    HA   GLU  46           HA       GLU  46   1.005  -0.750   8.340
  510   1HB   GLU  46          1HB       GLU  46   0.935  -3.335   9.105
  511   2HB   GLU  46          2HB       GLU  46   0.769  -3.638   7.395
  512   1HG   GLU  46          1HG       GLU  46   2.895  -1.728   8.181
  513   2HG   GLU  46          2HG       GLU  46   3.106  -3.369   8.765
  514    QB   GLU  46           QB       GLU  46   0.852  -3.486   8.250
  515    QG   GLU  46           QG       GLU  46   3.001  -2.549   8.473
  516    H    ILE  47           H        ILE  47  -1.447  -2.815   6.779
  517    HA   ILE  47           HA       ILE  47  -1.086  -1.910   4.093
  518    HB   ILE  47           HB       ILE  47  -3.614  -2.869   5.407
  519   1HG1  ILE  47          1HG1      ILE  47  -1.780  -4.397   3.518
  520   2HG1  ILE  47          2HG1      ILE  47  -1.434  -4.393   5.226
  521   1HG2  ILE  47          1HG2      ILE  47  -4.062  -1.615   3.257
  522   2HG2  ILE  47          2HG2      ILE  47  -2.865  -2.628   2.445
  523   3HG2  ILE  47          3HG2      ILE  47  -4.373  -3.334   3.058
  524   1HD1  ILE  47          3HD1      ILE  47  -4.072  -5.293   4.023
  525   2HD1  ILE  47          1HD1      ILE  47  -2.730  -6.285   4.659
  526   3HD1  ILE  47          2HD1      ILE  47  -3.671  -5.254   5.741
  527    QG1  ILE  47           QG1      ILE  47  -1.607  -4.395   4.372
  528    QG2  ILE  47           QG2      ILE  47  -3.767  -2.526   2.920
  529    QD1  ILE  47           QD1      ILE  47  -3.491  -5.611   4.808
  530    H    ALA  48           H        ALA  48  -3.122  -0.538   6.759
  531    HA   ALA  48           HA       ALA  48  -4.403   1.455   5.242
  532   1HB   ALA  48          3HB       ALA  48  -5.060   0.749   7.526
  533   2HB   ALA  48          1HB       ALA  48  -3.634   1.605   8.172
  534   3HB   ALA  48          2HB       ALA  48  -4.910   2.511   7.343
  535    QB   ALA  48           QB       ALA  48  -4.534   1.622   7.680
  536    H    GLU  49           H        GLU  49  -1.223   1.472   6.785
  537    HA   GLU  49           HA       GLU  49  -0.694   4.291   6.364
  538   1HB   GLU  49          1HB       GLU  49   0.390   2.744   8.029
  539   2HB   GLU  49          2HB       GLU  49   1.304   2.023   6.693
  540   1HG   GLU  49          1HG       GLU  49   2.245   4.295   6.177
  541   2HG   GLU  49          2HG       GLU  49   1.347   4.953   7.550
  542    QB   GLU  49           QB       GLU  49   0.847   2.384   7.361
  543    QG   GLU  49           QG       GLU  49   1.796   4.624   6.864
  544    H    ALA  50           H        ALA  50  -0.003   1.307   4.523
  545    HA   ALA  50           HA       ALA  50   1.394   2.693   2.383
  546   1HB   ALA  50          1HB       ALA  50   1.633   0.241   2.879
  547   2HB   ALA  50          2HB       ALA  50  -0.042  -0.012   2.361
  548   3HB   ALA  50          3HB       ALA  50   1.160   0.564   1.191
  549    QB   ALA  50           QB       ALA  50   0.917   0.264   2.143
  550    H    TYR  51           H        TYR  51  -1.945   1.861   3.110
  551    HA   TYR  51           HA       TYR  51  -3.208   2.043   0.613
  552   1HB   TYR  51          1HB       TYR  51  -3.917   1.505   3.196
  553   2HB   TYR  51          2HB       TYR  51  -4.516   3.117   3.123
  554    HD1  TYR  51          1HD       TYR  51  -4.539  -0.117   1.273
  555    HD2  TYR  51          2HD       TYR  51  -6.828   3.238   2.693
  556    HE1  TYR  51          1HE       TYR  51  -6.637  -1.353   0.774
  557    HE2  TYR  51          2HE       TYR  51  -8.901   2.042   2.200
  558    HH   TYR  51           HH       TYR  51  -9.852   0.094   1.473
  559    QB   TYR  51           QB       TYR  51  -4.217   2.311   3.159
  560    QG   TYR  51           QD       TYR  51  -5.683   1.560   1.983
  561    QZ   TYR  51           QE       TYR  51  -7.769   0.344   1.487
  562    QR   TYR  51           QR       TYR  51  -6.726   0.952   1.735
  563    H    ASP  52           H        ASP  52  -2.607   4.433   3.165
  564    HA   ASP  52           HA       ASP  52  -3.569   6.775   1.912
  565   1HB   ASP  52          1HB       ASP  52  -3.154   6.377   4.341
  566   2HB   ASP  52          2HB       ASP  52  -1.414   6.448   4.039
  567    QB   ASP  52           QB       ASP  52  -2.284   6.413   4.190
  568    H    VAL  53           H        VAL  53  -0.111   5.684   2.295
  569    HA   VAL  53           HA       VAL  53   0.933   7.825   0.775
  570    HB   VAL  53           HB       VAL  53   2.006   5.061   1.482
  571   1HG1  VAL  53          1HG1      VAL  53   3.536   7.354   0.175
  572   2HG1  VAL  53          2HG1      VAL  53   4.295   5.964   0.984
  573   3HG1  VAL  53          3HG1      VAL  53   3.301   5.712  -0.456
  574   1HG2  VAL  53          1HG2      VAL  53   1.571   6.818   3.324
  575   2HG2  VAL  53          2HG2      VAL  53   3.208   6.153   3.231
  576   3HG2  VAL  53          3HG2      VAL  53   2.881   7.755   2.585
  577    QG1  VAL  53           QG1      VAL  53   3.710   6.343   0.234
  578    QG2  VAL  53           QG2      VAL  53   2.554   6.908   3.047
  579    QQG  VAL  53           QQG      VAL  53   3.132   6.626   1.641
  580    H    LEU  54           H        LEU  54   0.137   4.503  -0.291
  581    HA   LEU  54           HA       LEU  54   1.051   4.780  -3.046
  582   1HB   LEU  54          1HB       LEU  54   0.974   2.801  -1.418
  583   2HB   LEU  54          2HB       LEU  54  -0.754   2.742  -1.757
  584    HG   LEU  54           HG       LEU  54  -0.351   2.090  -4.013
  585   1HD1  LEU  54          1HD1      LEU  54   2.580   2.638  -3.384
  586   2HD1  LEU  54          2HD1      LEU  54   2.062   1.744  -4.830
  587   3HD1  LEU  54          3HD1      LEU  54   1.621   3.446  -4.648
  588   1HD2  LEU  54          2HD2      LEU  54  -0.072   0.387  -2.227
  589   2HD2  LEU  54          3HD2      LEU  54   0.917  -0.001  -3.647
  590   3HD2  LEU  54          1HD2      LEU  54   1.665   0.686  -2.196
  591    QB   LEU  54           QB       LEU  54   0.110   2.772  -1.588
  592    QD1  LEU  54           QD1      LEU  54   2.088   2.609  -4.287
  593    QD2  LEU  54           QD2      LEU  54   0.836   0.357  -2.690
  594    QQD  LEU  54           QQD      LEU  54   1.462   1.483  -3.489
  595    H    SER  55           H        SER  55  -1.690   6.141  -1.479
  596    HA   SER  55           HA       SER  55  -3.023   6.293  -4.149
  597   1HB   SER  55          1HB       SER  55  -5.082   6.750  -2.983
  598   2HB   SER  55          2HB       SER  55  -4.435   5.173  -2.516
  599    HG   SER  55           HG       SER  55  -3.705   6.050  -0.601
  600    QB   SER  55           QB       SER  55  -4.758   5.962  -2.749
  601    H    ASP  56           H        ASP  56  -1.090   8.064  -1.962
  602    HA   ASP  56           HA       ASP  56  -2.109  10.638  -3.081
  603   1HB   ASP  56          1HB       ASP  56  -2.238  10.636  -0.663
  604   2HB   ASP  56          2HB       ASP  56  -0.559  10.097  -0.528
  605    QB   ASP  56           QB       ASP  56  -1.399  10.366  -0.596
  606    HA   PRO  57           HA       PRO  57   1.788   9.382  -5.122
  607   1HB   PRO  57          1HB       PRO  57   1.308  10.330  -7.643
  608   2HB   PRO  57          2HB       PRO  57   0.653   8.783  -7.026
  609   1HG   PRO  57          1HG       PRO  57  -0.701  11.479  -7.153
  610   2HG   PRO  57          2HG       PRO  57  -1.360   9.896  -7.663
  611   1HD   PRO  57          1HD       PRO  57  -1.928  11.015  -5.230
  612   2HD   PRO  57          2HD       PRO  57  -1.758   9.249  -5.440
  613    QB   PRO  57           QB       PRO  57   0.981   9.557  -7.335
  614    QG   PRO  57           QG       PRO  57  -1.030  10.687  -7.408
  615    QD   PRO  57           QD       PRO  57  -1.843  10.132  -5.335
  616    H    ARG  58           H        ARG  58   0.598  12.347  -4.061
  617    HA   ARG  58           HA       ARG  58   2.781  14.016  -5.179
  618   1HB   ARG  58          1HB       ARG  58   0.688  14.767  -3.128
  619   2HB   ARG  58          2HB       ARG  58   1.847  15.812  -3.899
  620   1HG   ARG  58          1HG       ARG  58  -0.258  16.220  -4.875
  621   2HG   ARG  58          2HG       ARG  58   0.759  15.465  -6.097
  622   1HD   ARG  58          1HD       ARG  58  -0.467  13.416  -5.988
  623   2HD   ARG  58          2HD       ARG  58  -1.196  13.822  -4.447
  624    HE   ARG  58           HE       ARG  58  -2.636  15.389  -5.494
  625   1HH1  ARG  58          2HH2      ARG  58  -0.910  13.425  -7.906
  626   2HH1  ARG  58          1HH2      ARG  58  -2.314  13.151  -8.896
  627   1HH2  ARG  58          2HH1      ARG  58  -4.421  15.246  -6.929
  628   2HH2  ARG  58          1HH1      ARG  58  -4.275  14.420  -8.446
  629    QB   ARG  58           QB       ARG  58   1.267  15.289  -3.514
  630    QG   ARG  58           QG       ARG  58   0.250  15.843  -5.486
  631    QD   ARG  58           QD       ARG  58  -0.832  13.619  -5.217
  632    QH1  ARG  58           QH2      ARG  58  -1.612  13.288  -8.401
  633    QH2  ARG  58           QH1      ARG  58  -4.348  14.833  -7.687
  634    H    LYS  59           H        LYS  59   1.641  12.362  -2.214
  635    HA   LYS  59           HA       LYS  59   4.038  13.023  -0.647
  636   1HB   LYS  59          1HB       LYS  59   1.802  12.325   0.392
  637   2HB   LYS  59          2HB       LYS  59   2.001  10.737  -0.336
  638   1HG   LYS  59          1HG       LYS  59   4.136  10.472   0.989
  639   2HG   LYS  59          2HG       LYS  59   3.795  12.019   1.776
  640   1HD   LYS  59          1HD       LYS  59   1.959   9.589   1.798
  641   2HD   LYS  59          2HD       LYS  59   3.104  10.029   3.087
  642   1HE   LYS  59          1HE       LYS  59   1.887  12.212   3.319
  643   2HE   LYS  59          2HE       LYS  59   0.673  11.626   2.167
  644   1HZ   LYS  59          1HZ       LYS  59   1.339  10.147   4.634
  645   2HZ   LYS  59          2HZ       LYS  59   0.158  11.286   4.578
  646   3HZ   LYS  59          3HZ       LYS  59   0.025   9.934   3.690
  647    QB   LYS  59           QB       LYS  59   1.902  11.531   0.028
  648    QG   LYS  59           QG       LYS  59   3.966  11.246   1.383
  649    QD   LYS  59           QD       LYS  59   2.532   9.809   2.443
  650    QE   LYS  59           QE       LYS  59   1.280  11.919   2.743
  651    QZ   LYS  59           QZ       LYS  59   0.507  10.456   4.301
  652    H    ARG  60           H        ARG  60   2.861  10.028  -2.373
  653    HA   ARG  60           HA       ARG  60   5.327   8.721  -2.223
  654   1HB   ARG  60          1HB       ARG  60   2.814   8.068  -3.127
  655   2HB   ARG  60          2HB       ARG  60   3.684   8.227  -4.667
  656   1HG   ARG  60          1HG       ARG  60   5.456   6.711  -3.796
  657   2HG   ARG  60          2HG       ARG  60   4.592   6.667  -2.251
  658   1HD   ARG  60          1HD       ARG  60   3.425   4.901  -2.906
  659   2HD   ARG  60          2HD       ARG  60   2.714   5.856  -4.207
  660    HE   ARG  60           HE       ARG  60   4.398   5.158  -5.705
  661   1HH1  ARG  60          2HH2      ARG  60   4.999   3.533  -2.622
  662   2HH1  ARG  60          1HH2      ARG  60   5.512   2.047  -3.321
  663   1HH2  ARG  60          2HH1      ARG  60   5.165   3.324  -6.639
  664   2HH2  ARG  60          1HH1      ARG  60   5.644   1.898  -5.753
  665    QB   ARG  60           QB       ARG  60   3.249   8.147  -3.897
  666    QG   ARG  60           QG       ARG  60   5.024   6.689  -3.023
  667    QD   ARG  60           QD       ARG  60   3.069   5.379  -3.556
  668    QH1  ARG  60           QH2      ARG  60   5.256   2.790  -2.971
  669    QH2  ARG  60           QH1      ARG  60   5.405   2.611  -6.196
  670    H    GLU  61           H        GLU  61   4.744  11.638  -4.037
  671    HA   GLU  61           HA       GLU  61   6.000  11.050  -6.392
  672   1HB   GLU  61          1HB       GLU  61   4.749  13.160  -5.326
  673   2HB   GLU  61          2HB       GLU  61   6.366  13.745  -5.110
  674   1HG   GLU  61          1HG       GLU  61   6.642  14.071  -7.398
  675   2HG   GLU  61          2HG       GLU  61   5.692  12.651  -7.825
  676    QB   GLU  61           QB       GLU  61   5.557  13.452  -5.218
  677    QG   GLU  61           QG       GLU  61   6.167  13.361  -7.612
  678    H    ILE  62           H        ILE  62   7.504  11.534  -3.244
  679    HA   ILE  62           HA       ILE  62  10.210  11.648  -4.388
  680    HB   ILE  62           HB       ILE  62   9.345  10.953  -1.536
  681   1HG1  ILE  62          1HG1      ILE  62  10.221  13.499  -2.980
  682   2HG1  ILE  62          2HG1      ILE  62   8.712  13.223  -2.112
  683   1HG2  ILE  62          2HG2      ILE  62  11.578   9.991  -2.155
  684   2HG2  ILE  62          3HG2      ILE  62  12.131  11.635  -2.560
  685   3HG2  ILE  62          1HG2      ILE  62  11.658  11.206  -0.901
  686   1HD1  ILE  62          2HD1      ILE  62   9.981  13.098   0.009
  687   2HD1  ILE  62          3HD1      ILE  62  11.472  13.522  -0.882
  688   3HD1  ILE  62          1HD1      ILE  62  10.121  14.664  -0.814
  689    QG1  ILE  62           QG1      ILE  62   9.466  13.361  -2.546
  690    QG2  ILE  62           QG2      ILE  62  11.789  10.944  -1.872
  691    QD1  ILE  62           QD1      ILE  62  10.525  13.761  -0.563
  692    H    PHE  63           H        PHE  63   8.408   8.978  -2.572
  693    HA   PHE  63           HA       PHE  63  10.382   7.133  -3.164
  694   1HB   PHE  63          1HB       PHE  63   8.645   6.939  -1.428
  695   2HB   PHE  63          2HB       PHE  63   7.396   6.779  -2.642
  696    HD1  PHE  63          2HD       PHE  63   7.599   4.641  -4.256
  697    HD2  PHE  63          1HD       PHE  63   9.562   5.034  -0.449
  698    HE1  PHE  63          2HE       PHE  63   7.801   2.200  -4.096
  699    HE2  PHE  63          1HE       PHE  63   9.621   2.564  -0.222
  700   1HZ   PHE  63           HZ       PHE  63   8.723   1.134  -2.030
  701    QB   PHE  63           QB       PHE  63   8.020   6.859  -2.035
  702    QG   PHE  63           QD       PHE  63   8.580   4.837  -2.353
  703    QZ   PHE  63           QE       PHE  63   8.711   2.382  -2.159
  704    QZ   PHE  63           QR       PHE  63   8.661   3.114  -2.211
  705    H    ASP  64           H        ASP  64   7.750   8.168  -5.238
  706    HA   ASP  64           HA       ASP  64   7.549   6.023  -7.061
  707   1HB   ASP  64          1HB       ASP  64   6.058   8.059  -6.715
  708   2HB   ASP  64          2HB       ASP  64   7.228   9.000  -7.647
  709    QB   ASP  64           QB       ASP  64   6.643   8.529  -7.181
  710    H    ARG  65           H        ARG  65   9.855   8.620  -6.738
  711    HA   ARG  65           HA       ARG  65  11.374   7.969  -9.217
  712   1HB   ARG  65          1HB       ARG  65  10.766  10.232  -9.107
  713   2HB   ARG  65          2HB       ARG  65  11.010  10.286  -7.393
  714   1HG   ARG  65          1HG       ARG  65  12.840  11.349  -7.718
  715   2HG   ARG  65          2HG       ARG  65  13.626   9.866  -8.223
  716   1HD   ARG  65          1HD       ARG  65  12.177  11.803 -10.067
  717   2HD   ARG  65          2HD       ARG  65  13.918  11.843  -9.743
  718    HE   ARG  65           HE       ARG  65  13.770   9.352 -10.520
  719   1HH1  ARG  65          2HH2      ARG  65  12.243  12.217 -12.043
  720   2HH1  ARG  65          1HH2      ARG  65  12.625  11.731 -13.642
  721   1HH2  ARG  65          2HH1      ARG  65  13.748   8.479 -12.646
  722   2HH2  ARG  65          1HH1      ARG  65  13.242   9.459 -13.994
  723    QB   ARG  65           QB       ARG  65  10.888  10.259  -8.250
  724    QG   ARG  65           QG       ARG  65  13.233  10.608  -7.971
  725    QD   ARG  65           QD       ARG  65  13.048  11.823  -9.905
  726    QH1  ARG  65           QH2      ARG  65  12.434  11.974 -12.842
  727    QH2  ARG  65           QH1      ARG  65  13.495   8.969 -13.320
  728    H    TYR  66           H        TYR  66  11.842   8.635  -5.764
  729    HA   TYR  66           HA       TYR  66  14.487   7.307  -5.681
  730   1HB   TYR  66          1HB       TYR  66  13.413   9.461  -3.810
  731   2HB   TYR  66          2HB       TYR  66  15.044   8.839  -3.927
  732    HD1  TYR  66          1HD       TYR  66  16.253   9.210  -6.283
  733    HD2  TYR  66          2HD       TYR  66  13.040  11.607  -4.668
  734    HE1  TYR  66          1HE       TYR  66  17.125  11.185  -7.472
  735    HE2  TYR  66          2HE       TYR  66  13.927  13.596  -5.830
  736    HH   TYR  66           HH       TYR  66  15.975  14.456  -6.883
  737    QB   TYR  66           QB       TYR  66  14.228   9.150  -3.868
  738    QG   TYR  66           QD       TYR  66  14.647  10.408  -5.475
  739    QZ   TYR  66           QE       TYR  66  15.526  12.391  -6.651
  740    QR   TYR  66           QR       TYR  66  15.086  11.400  -6.063
  741    H    GLY  67           H        GLY  67  12.372   5.615  -5.466
  742   1HA   GLY  67          1HA       GLY  67  11.103   5.231  -3.001
  743   2HA   GLY  67          2HA       GLY  67  11.610   3.899  -4.014
  744    QA   GLY  67           QA       GLY  67  11.357   4.565  -3.508
  745    H    GLU  68           H        GLU  68  14.135   3.806  -3.923
  746    HA   GLU  68           HA       GLU  68  14.680   2.935  -1.207
  747   1HB   GLU  68          1HB       GLU  68  14.991   1.730  -3.453
  748   2HB   GLU  68          2HB       GLU  68  16.426   2.715  -3.715
  749   1HG   GLU  68          1HG       GLU  68  17.609   1.606  -1.970
  750   2HG   GLU  68          2HG       GLU  68  16.113   1.034  -1.206
  751    QB   GLU  68           QB       GLU  68  15.709   2.222  -3.584
  752    QG   GLU  68           QG       GLU  68  16.861   1.320  -1.588
  753    H    GLU  69           H        GLU  69  16.091   5.368  -3.448
  754    HA   GLU  69           HA       GLU  69  18.223   6.061  -1.631
  755   1HB   GLU  69          1HB       GLU  69  18.379   6.153  -4.062
  756   2HB   GLU  69          2HB       GLU  69  17.112   7.389  -4.148
  757   1HG   GLU  69          1HG       GLU  69  18.525   8.961  -2.933
  758   2HG   GLU  69          2HG       GLU  69  19.786   7.733  -2.713
  759    QB   GLU  69           QB       GLU  69  17.745   6.771  -4.105
  760    QG   GLU  69           QG       GLU  69  19.155   8.347  -2.823
  761    H    GLY  70           H        GLY  70  14.891   7.154  -2.033
  762   1HA   GLY  70          1HA       GLY  70  15.430   9.851  -0.999
  763   2HA   GLY  70          2HA       GLY  70  13.995   9.267  -1.772
  764    QA   GLY  70           QA       GLY  70  14.713   9.559  -1.386
  765    H    LEU  71           H        LEU  71  13.443   6.911  -0.268
  766    HA   LEU  71           HA       LEU  71  11.927   8.332   1.729
  767   1HB   LEU  71          1HB       LEU  71  11.119   6.379   0.301
  768   2HB   LEU  71          2HB       LEU  71  12.100   5.323   1.320
  769    HG   LEU  71           HG       LEU  71  10.844   6.401   3.327
  770   1HD1  LEU  71          3HD1      LEU  71   9.001   7.238   1.027
  771   2HD1  LEU  71          1HD1      LEU  71   8.525   7.227   2.732
  772   3HD1  LEU  71          2HD1      LEU  71   9.807   8.307   2.193
  773   1HD2  LEU  71          2HD2      LEU  71  10.454   4.067   2.318
  774   2HD2  LEU  71          3HD2      LEU  71   9.209   4.775   3.355
  775   3HD2  LEU  71          1HD2      LEU  71   8.983   4.762   1.606
  776    QB   LEU  71           QB       LEU  71  11.609   5.851   0.810
  777    QD1  LEU  71           QD1      LEU  71   9.111   7.591   1.984
  778    QD2  LEU  71           QD2      LEU  71   9.549   4.535   2.426
  779    QQD  LEU  71           QQD      LEU  71   9.330   6.063   2.205
  780    H    LYS  72           H        LYS  72  12.795   8.901   3.603
  781    HA   LYS  72           HA       LYS  72  15.328   7.947   4.441
  782   1HB   LYS  72          1HB       LYS  72  14.265  10.324   4.489
  783   2HB   LYS  72          2HB       LYS  72  13.473   9.815   5.975
  784   1HG   LYS  72          1HG       LYS  72  15.418  11.022   6.605
  785   2HG   LYS  72          2HG       LYS  72  15.814   9.331   6.919
  786   1HD   LYS  72          1HD       LYS  72  17.062   9.247   4.747
  787   2HD   LYS  72          2HD       LYS  72  16.647  10.954   4.468
  788   1HE   LYS  72          1HE       LYS  72  17.829  11.601   6.524
  789   2HE   LYS  72          2HE       LYS  72  18.169   9.903   6.889
  790   1HZ   LYS  72          2HZ       LYS  72  19.188  11.362   4.534
  791   2HZ   LYS  72          3HZ       LYS  72  20.060  10.990   5.877
  792   3HZ   LYS  72          1HZ       LYS  72  19.495   9.790   4.889
  793    QB   LYS  72           QB       LYS  72  13.869  10.070   5.232
  794    QG   LYS  72           QG       LYS  72  15.616  10.177   6.762
  795    QD   LYS  72           QD       LYS  72  16.854  10.101   4.607
  796    QE   LYS  72           QE       LYS  72  17.999  10.752   6.707
  797    QZ   LYS  72           QZ       LYS  72  19.581  10.714   5.100
  798    H    GLY  73           H        GLY  73  13.947   5.650   4.644
  799   1HA   GLY  73          1HA       GLY  73  13.584   3.886   6.098
  800   2HA   GLY  73          2HA       GLY  73  14.102   4.903   7.446
  801    QA   GLY  73           QA       GLY  73  13.843   4.394   6.772
  802    H    SER  74           H        SER  74  11.598   6.395   5.557
  803    HA   SER  74           HA       SER  74  10.053   6.806   7.751
  804   1HB   SER  74          1HB       SER  74   8.995   6.852   4.912
  805   2HB   SER  74          2HB       SER  74   8.618   7.962   6.243
  806    HG   SER  74           HG       SER  74  10.031   8.982   4.874
  807    QB   SER  74           QB       SER  74   8.807   7.407   5.577
  808    H    GLY  75           H        GLY  75   8.379   5.749   8.722
  809   1HA   GLY  75          1HA       GLY  75   6.417   4.340   8.538
  810   2HA   GLY  75          2HA       GLY  75   7.324   3.219   7.542
  811    QA   GLY  75           QA       GLY  75   6.870   3.779   8.040
  812    H    CYS  76           H        CYS  76   9.753   3.357   9.091
  813    HA   CYS  76           HA       CYS  76  10.757   1.836  10.387
  814   1HB   CYS  76          1HB       CYS  76  10.211   4.124  11.717
  815   2HB   CYS  76          2HB       CYS  76   9.480   2.976  12.835
  816    HG   CYS  76           HG       CYS  76  11.627   1.423  12.988
  817    QB   CYS  76           QB       CYS  76   9.845   3.550  12.276
   
  No H/Q in entry =         817
  Start of MODEL   20
    1    H    MET   0           H        MET   0  14.117   1.717  -6.631
    2    HA   MET   0           HA       MET   0  12.584   1.969  -4.761
    3   1HB   MET   0          1HB       MET   0  10.877   3.276  -5.867
    4   2HB   MET   0          2HB       MET   0  12.413   3.526  -6.693
    5   1HG   MET   0          1HG       MET   0   9.899   2.205  -7.655
    6   2HG   MET   0          2HG       MET   0  10.824   3.506  -8.365
    7   1HE   MET   0          3HE       MET   0   9.503   1.459 -10.033
    8   2HE   MET   0          1HE       MET   0  10.655   2.544 -10.836
    9   3HE   MET   0          2HE       MET   0  10.725   0.791 -11.135
   10    QB   MET   0           QB       MET   0  11.645   3.401  -6.280
   11    QG   MET   0           QG       MET   0  10.361   2.856  -8.010
   12    QE   MET   0           QE       MET   0  10.294   1.598 -10.668
   13    H    GLY   1           H        GLY   1  12.456  -0.350  -3.928
   14   1HA   GLY   1          1HA       GLY   1   9.613  -1.190  -4.299
   15   2HA   GLY   1          2HA       GLY   1  10.972  -2.254  -4.005
   16    QA   GLY   1           QA       GLY   1  10.292  -1.722  -4.152
   17    H    LYS   2           H        LYS   2  11.556   0.453  -2.031
   18    HA   LYS   2           HA       LYS   2  11.206  -1.363   0.075
   19   1HB   LYS   2          1HB       LYS   2  12.539  -0.267   1.326
   20   2HB   LYS   2          2HB       LYS   2  12.961   0.399  -0.185
   21   1HG   LYS   2          1HG       LYS   2  12.950   2.378   0.867
   22   2HG   LYS   2          2HG       LYS   2  11.215   2.374   0.781
   23   1HD   LYS   2          1HD       LYS   2  12.910   1.199   3.050
   24   2HD   LYS   2          2HD       LYS   2  12.315   2.856   3.040
   25   1HE   LYS   2          1HE       LYS   2  10.049   2.201   3.294
   26   2HE   LYS   2          2HE       LYS   2  10.402   0.527   2.843
   27   1HZ   LYS   2          3HZ       LYS   2  11.614   1.629   5.269
   28   2HZ   LYS   2          1HZ       LYS   2  10.103   0.985   5.315
   29   3HZ   LYS   2          2HZ       LYS   2  11.345   0.063   4.837
   30    QB   LYS   2           QB       LYS   2  12.750   0.066   0.571
   31    QG   LYS   2           QG       LYS   2  12.082   2.376   0.824
   32    QD   LYS   2           QD       LYS   2  12.613   2.028   3.045
   33    QE   LYS   2           QE       LYS   2  10.225   1.364   3.068
   34    QZ   LYS   2           QZ       LYS   2  11.021   0.892   5.140
   35    H    ASP   3           H        ASP   3   9.310  -2.063   0.397
   36    HA   ASP   3           HA       ASP   3   7.462  -2.432   1.500
   37   1HB   ASP   3          1HB       ASP   3   8.865  -1.802   3.390
   38   2HB   ASP   3          2HB       ASP   3   8.512  -0.099   3.130
   39    QB   ASP   3           QB       ASP   3   8.688  -0.950   3.260
   40    H    TYR   4           H        TYR   4   5.334  -1.047   2.570
   41    HA   TYR   4           HA       TYR   4   3.398  -0.103   2.074
   42   1HB   TYR   4          1HB       TYR   4   4.881   1.752   0.180
   43   2HB   TYR   4          2HB       TYR   4   3.243   1.947   0.767
   44    HD1  TYR   4          2HD       TYR   4   6.838   1.791   1.889
   45    HD2  TYR   4          1HD       TYR   4   2.800   2.983   2.898
   46    HE1  TYR   4          2HE       TYR   4   7.667   2.904   3.895
   47    HE2  TYR   4          1HE       TYR   4   3.647   4.151   4.881
   48    HH   TYR   4           HH       TYR   4   6.753   3.516   6.090
   49    QB   TYR   4           QB       TYR   4   4.062   1.850   0.473
   50    QG   TYR   4           QD       TYR   4   4.819   2.387   2.394
   51    QZ   TYR   4           QE       TYR   4   5.657   3.527   4.388
   52    QR   TYR   4           QR       TYR   4   5.238   2.957   3.391
   53    H    TYR   5           H        TYR   5   4.987  -0.040  -1.120
   54    HA   TYR   5           HA       TYR   5   2.899  -0.930  -2.825
   55   1HB   TYR   5          1HB       TYR   5   5.935  -1.158  -2.819
   56   2HB   TYR   5          2HB       TYR   5   4.962  -1.920  -4.039
   57    HD1  TYR   5          1HD       TYR   5   5.629   1.478  -2.575
   58    HD2  TYR   5          2HD       TYR   5   4.410  -0.817  -6.008
   59    HE1  TYR   5          1HE       TYR   5   5.807   3.496  -3.988
   60    HE2  TYR   5          2HE       TYR   5   4.639   1.201  -7.448
   61    HH   TYR   5           HH       TYR   5   5.392   3.491  -7.522
   62    QB   TYR   5           QB       TYR   5   5.448  -1.539  -3.429
   63    QG   TYR   5           QD       TYR   5   5.020   0.331  -4.292
   64    QZ   TYR   5           QE       TYR   5   5.223   2.349  -5.718
   65    QR   TYR   5           QR       TYR   5   5.121   1.340  -5.005
   66    H    GLN   6           H        GLN   6   5.428  -2.713  -0.996
   67    HA   GLN   6           HA       GLN   6   4.523  -5.204  -1.912
   68   1HB   GLN   6          1HB       GLN   6   6.724  -4.290  -0.388
   69   2HB   GLN   6          2HB       GLN   6   5.860  -5.318   0.741
   70   1HG   GLN   6          1HG       GLN   6   7.160  -6.032  -1.883
   71   2HG   GLN   6          2HG       GLN   6   7.415  -6.743  -0.293
   72   1HE2  GLN   6          2HE2      GLN   6   4.709  -8.326  -2.889
   73   2HE2  GLN   6          1HE2      GLN   6   5.647  -6.900  -3.245
   74    QB   GLN   6           QB       GLN   6   6.292  -4.804   0.177
   75    QG   GLN   6           QG       GLN   6   7.288  -6.388  -1.088
   76    QE2  GLN   6           QE2      GLN   6   5.178  -7.613  -3.067
   77    H    THR   7           H        THR   7   3.470  -3.351   1.031
   78    HA   THR   7           HA       THR   7   2.151  -5.610   2.145
   79    HB   THR   7           HB       THR   7   1.461  -2.697   2.587
   80    HG1  THR   7          1HG       THR   7   3.087  -3.095   4.360
   81   1HG2  THR   7          2HG2      THR   7   0.072  -4.567   3.690
   82   2HG2  THR   7          3HG2      THR   7   1.544  -5.017   4.570
   83   3HG2  THR   7          1HG2      THR   7   0.832  -3.396   4.750
   84    QG2  THR   7           QG2      THR   7   0.816  -4.327   4.337
   85    H    LEU   8           H        LEU   8   1.258  -3.274  -0.272
   86    HA   LEU   8           HA       LEU   8  -1.452  -4.366  -0.516
   87   1HB   LEU   8          1HB       LEU   8  -1.013  -1.952  -0.752
   88   2HB   LEU   8          2HB       LEU   8  -0.050  -2.267  -2.184
   89    HG   LEU   8           HG       LEU   8  -1.888  -2.739  -3.506
   90   1HD1  LEU   8          1HD1      LEU   8  -3.119  -4.341  -1.880
   91   2HD1  LEU   8          2HD1      LEU   8  -3.990  -2.858  -1.341
   92   3HD1  LEU   8          3HD1      LEU   8  -3.940  -3.313  -3.005
   93   1HD2  LEU   8          3HD2      LEU   8  -2.075  -0.358  -2.885
   94   2HD2  LEU   8          1HD2      LEU   8  -3.657  -1.066  -3.193
   95   3HD2  LEU   8          2HD2      LEU   8  -3.134  -0.789  -1.522
   96    QB   LEU   8           QB       LEU   8  -0.531  -2.110  -1.468
   97    QD1  LEU   8           QD1      LEU   8  -3.683  -3.504  -2.076
   98    QD2  LEU   8           QD2      LEU   8  -2.955  -0.738  -2.533
   99    QQD  LEU   8           QQD      LEU   8  -3.319  -2.121  -2.304
  100    H    GLY   9           H        GLY   9   1.605  -5.328  -1.558
  101   1HA   GLY   9          1HA       GLY   9   1.809  -7.578  -2.238
  102   2HA   GLY   9          2HA       GLY   9   0.260  -7.478  -3.078
  103    QA   GLY   9           QA       GLY   9   1.035  -7.528  -2.658
  104    H    LEU  10           H        LEU  10   2.610  -4.894  -3.594
  105    HA   LEU  10           HA       LEU  10   3.137  -5.958  -6.332
  106   1HB   LEU  10          1HB       LEU  10   2.390  -3.117  -5.648
  107   2HB   LEU  10          2HB       LEU  10   2.669  -3.829  -7.230
  108    HG   LEU  10           HG       LEU  10   0.614  -5.436  -6.101
  109   1HD1  LEU  10          2HD1      LEU  10   0.344  -3.631  -4.401
  110   2HD1  LEU  10          3HD1      LEU  10   0.022  -2.473  -5.709
  111   3HD1  LEU  10          1HD1      LEU  10  -1.076  -3.850  -5.436
  112   1HD2  LEU  10          3HD2      LEU  10   0.883  -4.893  -8.448
  113   2HD2  LEU  10          1HD2      LEU  10  -0.747  -4.545  -7.857
  114   3HD2  LEU  10          2HD2      LEU  10   0.407  -3.207  -8.122
  115    QB   LEU  10           QB       LEU  10   2.530  -3.473  -6.439
  116    QD1  LEU  10           QD1      LEU  10  -0.237  -3.318  -5.182
  117    QD2  LEU  10           QD2      LEU  10   0.181  -4.215  -8.142
  118    QQD  LEU  10           QQD      LEU  10  -0.028  -3.766  -6.662
  119    H    ALA  11           H        ALA  11   4.903  -4.580  -7.408
  120    HA   ALA  11           HA       ALA  11   6.195  -2.556  -5.938
  121   1HB   ALA  11          3HB       ALA  11   7.376  -4.653  -4.945
  122   2HB   ALA  11          1HB       ALA  11   8.080  -4.828  -6.574
  123   3HB   ALA  11          2HB       ALA  11   8.366  -3.360  -5.605
  124    QB   ALA  11           QB       ALA  11   7.941  -4.280  -5.708
  125    H    ARG  12           H        ARG  12   7.857  -1.559  -7.239
  126    HA   ARG  12           HA       ARG  12   8.563  -0.615  -9.257
  127   1HB   ARG  12          1HB       ARG  12   9.606  -3.466  -9.312
  128   2HB   ARG  12          2HB       ARG  12  10.219  -2.114 -10.275
  129   1HG   ARG  12          1HG       ARG  12  11.723  -1.838  -8.740
  130   2HG   ARG  12          2HG       ARG  12  10.476  -1.013  -7.820
  131   1HD   ARG  12          1HD       ARG  12  10.216  -2.793  -6.332
  132   2HD   ARG  12          2HD       ARG  12  10.773  -4.009  -7.502
  133    HE   ARG  12           HE       ARG  12  12.980  -2.477  -7.150
  134   1HH1  ARG  12          2HH2      ARG  12  11.130  -4.874  -5.241
  135   2HH1  ARG  12          1HH2      ARG  12  12.472  -5.170  -4.199
  136   1HH2  ARG  12          2HH1      ARG  12  14.647  -2.814  -5.598
  137   2HH2  ARG  12          1HH1      ARG  12  14.457  -4.152  -4.506
  138    QB   ARG  12           QB       ARG  12   9.912  -2.790  -9.794
  139    QG   ARG  12           QG       ARG  12  11.100  -1.426  -8.280
  140    QD   ARG  12           QD       ARG  12  10.495  -3.401  -6.917
  141    QH1  ARG  12           QH2      ARG  12  11.801  -5.022  -4.720
  142    QH2  ARG  12           QH1      ARG  12  14.552  -3.483  -5.052
  143    H    GLY  13           H        GLY  13   6.136  -0.849  -9.861
  144   1HA   GLY  13          1HA       GLY  13   5.709  -0.812 -12.518
  145   2HA   GLY  13          2HA       GLY  13   5.708  -2.564 -12.248
  146    QA   GLY  13           QA       GLY  13   5.708  -1.688 -12.383
  147    H    ALA  14           H        ALA  14   4.487  -1.384  -9.437
  148    HA   ALA  14           HA       ALA  14   1.776  -2.026  -9.880
  149   1HB   ALA  14          3HB       ALA  14   3.108  -1.749  -7.671
  150   2HB   ALA  14          1HB       ALA  14   2.749  -0.023  -7.807
  151   3HB   ALA  14          2HB       ALA  14   1.429  -1.188  -7.688
  152    QB   ALA  14           QB       ALA  14   2.429  -0.987  -7.722
  153    H    SER  15           H        SER  15   0.595  -0.996 -11.510
  154    HA   SER  15           HA       SER  15   0.763   1.920 -11.900
  155   1HB   SER  15          1HB       SER  15  -1.074   1.401 -13.554
  156   2HB   SER  15          2HB       SER  15   0.384   0.462 -13.891
  157    HG   SER  15           HG       SER  15  -1.315  -0.932 -13.944
  158    QB   SER  15           QB       SER  15  -0.345   0.932 -13.722
  159    H    ASP  16           H        ASP  16  -1.265   3.117 -11.833
  160    HA   ASP  16           HA       ASP  16  -2.346   2.885  -9.265
  161   1HB   ASP  16          1HB       ASP  16  -3.394   4.360 -11.715
  162   2HB   ASP  16          2HB       ASP  16  -4.116   4.513 -10.110
  163    QB   ASP  16           QB       ASP  16  -3.755   4.437 -10.912
  164    H    GLU  17           H        GLU  17  -3.147   1.309 -12.236
  165    HA   GLU  17           HA       GLU  17  -5.886   0.523 -11.747
  166   1HB   GLU  17          1HB       GLU  17  -4.351   0.804 -13.921
  167   2HB   GLU  17          2HB       GLU  17  -3.891  -0.852 -13.596
  168   1HG   GLU  17          1HG       GLU  17  -6.764   0.119 -13.927
  169   2HG   GLU  17          2HG       GLU  17  -5.758  -0.392 -15.275
  170    QB   GLU  17           QB       GLU  17  -4.121  -0.024 -13.758
  171    QG   GLU  17           QG       GLU  17  -6.261  -0.136 -14.601
  172    H    GLU  18           H        GLU  18  -2.707  -0.833 -10.935
  173    HA   GLU  18           HA       GLU  18  -3.915  -3.448 -10.299
  174   1HB   GLU  18          1HB       GLU  18  -1.501  -2.554 -11.480
  175   2HB   GLU  18          2HB       GLU  18  -1.021  -3.169  -9.925
  176   1HG   GLU  18          1HG       GLU  18  -2.821  -4.718 -11.829
  177   2HG   GLU  18          2HG       GLU  18  -1.082  -4.744 -11.976
  178    QB   GLU  18           QB       GLU  18  -1.261  -2.861 -10.703
  179    QG   GLU  18           QG       GLU  18  -1.951  -4.731 -11.902
  180    H    ILE  19           H        ILE  19  -2.361  -0.569  -8.922
  181    HA   ILE  19           HA       ILE  19  -2.356  -1.290  -6.191
  182    HB   ILE  19           HB       ILE  19  -2.566   1.320  -7.663
  183   1HG1  ILE  19          1HG1      ILE  19  -0.479   0.143  -5.753
  184   2HG1  ILE  19          2HG1      ILE  19  -0.454  -0.092  -7.500
  185   1HG2  ILE  19          2HG2      ILE  19  -3.880   1.674  -5.576
  186   2HG2  ILE  19          3HG2      ILE  19  -2.520   1.048  -4.626
  187   3HG2  ILE  19          1HG2      ILE  19  -2.371   2.555  -5.554
  188   1HD1  ILE  19          3HD1      ILE  19  -0.286   2.338  -7.852
  189   2HD1  ILE  19          1HD1      ILE  19  -0.185   2.565  -6.086
  190   3HD1  ILE  19          2HD1      ILE  19   1.076   1.651  -6.932
  191    QG1  ILE  19           QG1      ILE  19  -0.467   0.026  -6.627
  192    QG2  ILE  19           QG2      ILE  19  -2.924   1.759  -5.252
  193    QD1  ILE  19           QD1      ILE  19   0.202   2.185  -6.957
  194    H    LYS  20           H        LYS  20  -4.858   0.507  -8.113
  195    HA   LYS  20           HA       LYS  20  -6.791   0.310  -6.029
  196   1HB   LYS  20          1HB       LYS  20  -6.974   1.145  -8.925
  197   2HB   LYS  20          2HB       LYS  20  -8.393   1.058  -7.887
  198   1HG   LYS  20          1HG       LYS  20  -7.695   2.702  -6.430
  199   2HG   LYS  20          2HG       LYS  20  -5.980   2.474  -6.766
  200   1HD   LYS  20          1HD       LYS  20  -6.136   3.638  -8.867
  201   2HD   LYS  20          2HD       LYS  20  -7.899   3.807  -8.707
  202   1HE   LYS  20          1HE       LYS  20  -7.748   5.301  -6.921
  203   2HE   LYS  20          2HE       LYS  20  -6.134   4.761  -6.446
  204   1HZ   LYS  20          1HZ       LYS  20  -6.619   6.264  -8.931
  205   2HZ   LYS  20          2HZ       LYS  20  -6.195   6.971  -7.498
  206   3HZ   LYS  20          3HZ       LYS  20  -5.166   5.937  -8.178
  207    QB   LYS  20           QB       LYS  20  -7.683   1.102  -8.406
  208    QG   LYS  20           QG       LYS  20  -6.837   2.588  -6.598
  209    QD   LYS  20           QD       LYS  20  -7.017   3.723  -8.787
  210    QE   LYS  20           QE       LYS  20  -6.941   5.031  -6.683
  211    QZ   LYS  20           QZ       LYS  20  -5.993   6.391  -8.203
  212    H    ARG  21           H        ARG  21  -5.937  -1.983  -8.559
  213    HA   ARG  21           HA       ARG  21  -8.265  -3.654  -8.259
  214   1HB   ARG  21          1HB       ARG  21  -6.738  -4.050 -10.088
  215   2HB   ARG  21          2HB       ARG  21  -5.373  -4.251  -9.022
  216   1HG   ARG  21          1HG       ARG  21  -6.281  -6.288  -8.054
  217   2HG   ARG  21          2HG       ARG  21  -7.799  -6.039  -8.911
  218   1HD   ARG  21          1HD       ARG  21  -5.188  -6.456 -10.380
  219   2HD   ARG  21          2HD       ARG  21  -6.092  -7.821  -9.729
  220    HE   ARG  21           HE       ARG  21  -6.593  -6.392 -12.104
  221   1HH1  ARG  21          2HH2      ARG  21  -8.594  -7.761  -9.427
  222   2HH1  ARG  21          1HH2      ARG  21  -9.779  -8.394 -10.492
  223   1HH2  ARG  21          2HH1      ARG  21  -8.165  -7.350 -13.444
  224   2HH2  ARG  21          1HH1      ARG  21  -9.717  -7.832 -12.790
  225    QB   ARG  21           QB       ARG  21  -6.056  -4.151  -9.555
  226    QG   ARG  21           QG       ARG  21  -7.040  -6.163  -8.483
  227    QD   ARG  21           QD       ARG  21  -5.640  -7.139 -10.055
  228    QH1  ARG  21           QH2      ARG  21  -9.186  -8.078  -9.960
  229    QH2  ARG  21           QH1      ARG  21  -8.941  -7.591 -13.117
  230    H    ALA  22           H        ALA  22  -5.008  -4.082  -6.952
  231    HA   ALA  22           HA       ALA  22  -5.642  -6.008  -4.970
  232   1HB   ALA  22          1HB       ALA  22  -3.402  -5.624  -5.860
  233   2HB   ALA  22          2HB       ALA  22  -3.354  -4.045  -5.056
  234   3HB   ALA  22          3HB       ALA  22  -3.440  -5.544  -4.090
  235    QB   ALA  22           QB       ALA  22  -3.399  -5.071  -5.002
  236    H    TYR  23           H        TYR  23  -6.012  -2.543  -4.659
  237    HA   TYR  23           HA       TYR  23  -5.951  -1.907  -2.118
  238   1HB   TYR  23          1HB       TYR  23  -7.136  -1.096  -4.545
  239   2HB   TYR  23          2HB       TYR  23  -8.458  -1.203  -3.478
  240    HD1  TYR  23          2HD       TYR  23  -5.324   0.305  -2.084
  241    HD2  TYR  23          1HD       TYR  23  -8.962   0.917  -4.324
  242    HE1  TYR  23          2HE       TYR  23  -5.078   2.758  -1.839
  243    HE2  TYR  23          1HE       TYR  23  -8.665   3.352  -4.167
  244    HH   TYR  23           HH       TYR  23  -6.029   4.964  -2.453
  245    QB   TYR  23           QB       TYR  23  -7.797  -1.150  -4.011
  246    QG   TYR  23           QD       TYR  23  -7.143   0.611  -3.204
  247    QZ   TYR  23           QE       TYR  23  -6.872   3.055  -3.003
  248    QR   TYR  23           QR       TYR  23  -7.008   1.833  -3.104
  249    H    ARG  24           H        ARG  24  -8.998  -3.321  -3.496
  250    HA   ARG  24           HA       ARG  24 -10.161  -3.787  -0.852
  251   1HB   ARG  24          1HB       ARG  24 -11.450  -3.216  -2.942
  252   2HB   ARG  24          2HB       ARG  24 -11.096  -4.832  -3.556
  253   1HG   ARG  24          1HG       ARG  24 -12.329  -5.877  -1.753
  254   2HG   ARG  24          2HG       ARG  24 -12.493  -4.343  -0.895
  255   1HD   ARG  24          1HD       ARG  24 -13.573  -4.069  -3.600
  256   2HD   ARG  24          2HD       ARG  24 -14.244  -5.506  -2.843
  257    HE   ARG  24           HE       ARG  24 -15.608  -4.183  -1.646
  258   1HH1  ARG  24          2HH2      ARG  24 -13.071  -1.989  -2.791
  259   2HH1  ARG  24          1HH2      ARG  24 -13.253  -0.858  -1.469
  260   1HH2  ARG  24          2HH1      ARG  24 -16.185  -2.385  -0.218
  261   2HH2  ARG  24          1HH1      ARG  24 -15.321  -0.887  -0.455
  262    QB   ARG  24           QB       ARG  24 -11.273  -4.024  -3.249
  263    QG   ARG  24           QG       ARG  24 -12.411  -5.110  -1.324
  264    QD   ARG  24           QD       ARG  24 -13.909  -4.787  -3.222
  265    QH1  ARG  24           QH2      ARG  24 -13.162  -1.424  -2.130
  266    QH2  ARG  24           QH1      ARG  24 -15.753  -1.636  -0.337
  267    H    ARG  25           H        ARG  25  -8.408  -5.793  -3.196
  268    HA   ARG  25           HA       ARG  25  -8.770  -8.283  -1.866
  269   1HB   ARG  25          1HB       ARG  25  -7.597  -8.864  -3.663
  270   2HB   ARG  25          2HB       ARG  25  -7.094  -7.223  -3.980
  271   1HG   ARG  25          1HG       ARG  25  -5.205  -7.531  -2.330
  272   2HG   ARG  25          2HG       ARG  25  -5.705  -9.224  -2.152
  273   1HD   ARG  25          1HD       ARG  25  -5.152  -9.603  -4.535
  274   2HD   ARG  25          2HD       ARG  25  -4.713  -7.898  -4.715
  275    HE   ARG  25           HE       ARG  25  -3.285  -8.815  -2.502
  276   1HH1  ARG  25          2HH2      ARG  25  -3.131  -9.490  -6.049
  277   2HH1  ARG  25          1HH2      ARG  25  -1.432  -9.848  -5.910
  278   1HH2  ARG  25          2HH1      ARG  25  -1.237  -9.434  -2.442
  279   2HH2  ARG  25          1HH1      ARG  25  -0.381  -9.906  -3.918
  280    QB   ARG  25           QB       ARG  25  -7.346  -8.044  -3.822
  281    QG   ARG  25           QG       ARG  25  -5.455  -8.377  -2.241
  282    QD   ARG  25           QD       ARG  25  -4.932  -8.750  -4.625
  283    QH1  ARG  25           QH2      ARG  25  -2.281  -9.669  -5.979
  284    QH2  ARG  25           QH1      ARG  25  -0.809  -9.670  -3.180
  285    H    GLN  26           H        GLN  26  -6.472  -5.511  -1.135
  286    HA   GLN  26           HA       GLN  26  -5.161  -6.965   0.878
  287   1HB   GLN  26          1HB       GLN  26  -4.746  -4.692  -0.447
  288   2HB   GLN  26          2HB       GLN  26  -5.441  -3.967   0.996
  289   1HG   GLN  26          1HG       GLN  26  -3.784  -5.547   2.313
  290   2HG   GLN  26          2HG       GLN  26  -2.952  -5.732   0.775
  291   1HE2  GLN  26          2HE2      GLN  26  -2.535  -1.828   1.174
  292   2HE2  GLN  26          1HE2      GLN  26  -3.687  -2.698   0.230
  293    QB   GLN  26           QB       GLN  26  -5.093  -4.329   0.275
  294    QG   GLN  26           QG       GLN  26  -3.368  -5.640   1.544
  295    QE2  GLN  26           QE2      GLN  26  -3.111  -2.263   0.702
  296    H    ALA  27           H        ALA  27  -7.931  -4.694   1.013
  297    HA   ALA  27           HA       ALA  27  -8.383  -4.653   3.805
  298   1HB   ALA  27          2HB       ALA  27  -9.591  -3.214   2.206
  299   2HB   ALA  27          3HB       ALA  27 -10.468  -4.632   1.586
  300   3HB   ALA  27          1HB       ALA  27 -10.699  -4.111   3.265
  301    QB   ALA  27           QB       ALA  27 -10.253  -3.986   2.352
  302    H    LEU  28           H        LEU  28  -9.674  -6.900   1.370
  303    HA   LEU  28           HA       LEU  28 -11.009  -8.696   3.093
  304   1HB   LEU  28          1HB       LEU  28 -11.297  -8.409   0.685
  305   2HB   LEU  28          2HB       LEU  28  -9.717  -9.094   0.362
  306    HG   LEU  28           HG       LEU  28 -11.834 -10.695   1.842
  307   1HD1  LEU  28          3HD1      LEU  28 -11.500 -10.403  -1.182
  308   2HD1  LEU  28          1HD1      LEU  28 -12.560 -11.570  -0.363
  309   3HD1  LEU  28          2HD1      LEU  28 -12.885  -9.838  -0.219
  310   1HD2  LEU  28          1HD2      LEU  28  -9.464 -11.454   0.052
  311   2HD2  LEU  28          2HD2      LEU  28  -9.596 -11.727   1.807
  312   3HD2  LEU  28          3HD2      LEU  28 -10.648 -12.598   0.715
  313    QB   LEU  28           QB       LEU  28 -10.507  -8.751   0.524
  314    QD1  LEU  28           QD1      LEU  28 -12.315 -10.604  -0.588
  315    QD2  LEU  28           QD2      LEU  28  -9.903 -11.926   0.858
  316    QQD  LEU  28           QQD      LEU  28 -11.109 -11.265   0.135
  317    H    ARG  29           H        ARG  29  -7.607  -8.821   1.845
  318    HA   ARG  29           HA       ARG  29  -6.904 -11.327   2.736
  319   1HB   ARG  29          1HB       ARG  29  -5.604 -10.063   1.109
  320   2HB   ARG  29          2HB       ARG  29  -5.362  -8.755   2.259
  321   1HG   ARG  29          1HG       ARG  29  -3.311  -9.702   2.309
  322   2HG   ARG  29          2HG       ARG  29  -4.099 -10.446   3.683
  323   1HD   ARG  29          1HD       ARG  29  -3.127 -12.299   2.795
  324   2HD   ARG  29          2HD       ARG  29  -4.676 -12.375   1.968
  325    HE   ARG  29           HE       ARG  29  -3.581 -12.121  -0.019
  326   1HH1  ARG  29          2HH2      ARG  29  -1.329 -11.095   2.506
  327   2HH1  ARG  29          1HH2      ARG  29   0.039 -10.919   1.460
  328   1HH2  ARG  29          2HH1      ARG  29  -1.839 -11.973  -1.413
  329   2HH2  ARG  29          1HH1      ARG  29  -0.246 -11.549  -0.859
  330    QB   ARG  29           QB       ARG  29  -5.483  -9.409   1.684
  331    QG   ARG  29           QG       ARG  29  -3.705 -10.074   2.996
  332    QD   ARG  29           QD       ARG  29  -3.901 -12.337   2.381
  333    QH1  ARG  29           QH2      ARG  29  -0.645 -11.007   1.983
  334    QH2  ARG  29           QH1      ARG  29  -1.043 -11.761  -1.136
  335    H    TYR  30           H        TYR  30  -6.513  -8.199   4.530
  336    HA   TYR  30           HA       TYR  30  -5.565  -9.859   6.839
  337   1HB   TYR  30          1HB       TYR  30  -5.362  -6.862   6.489
  338   2HB   TYR  30          2HB       TYR  30  -4.559  -7.842   7.700
  339    HD1  TYR  30          2HD       TYR  30  -3.298 -10.052   6.312
  340    HD2  TYR  30          1HD       TYR  30  -3.713  -5.931   5.106
  341    HE1  TYR  30          2HE       TYR  30  -1.355 -10.289   4.853
  342    HE2  TYR  30          1HE       TYR  30  -1.768  -6.134   3.643
  343    HH   TYR  30           HH       TYR  30  -0.113  -7.501   2.910
  344    QB   TYR  30           QB       TYR  30  -4.961  -7.352   7.094
  345    QG   TYR  30           QD       TYR  30  -3.506  -7.992   5.709
  346    QZ   TYR  30           QE       TYR  30  -1.561  -8.211   4.248
  347    QR   TYR  30           QR       TYR  30  -2.533  -8.101   4.979
  348    H    HIS  31           H        HIS  31  -8.495  -8.772   5.944
  349    HA   HIS  31           HA       HIS  31  -9.462  -7.011   7.676
  350   1HB   HIS  31          1HB       HIS  31 -10.508  -8.677   5.763
  351   2HB   HIS  31          2HB       HIS  31 -11.341  -9.251   7.166
  352    HD1  HIS  31          1HD       HIS  31 -12.377  -6.712   8.634
  353    HD2  HIS  31          2HD       HIS  31 -11.856  -7.005   4.468
  354    HE1  HIS  31          1HE       HIS  31 -13.697  -4.842   7.637
  355    QB   HIS  31           QB       HIS  31 -10.925  -8.964   6.464
  356    HA   PRO  32           HA       PRO  32  -9.132  -9.308  11.630
  357   1HB   PRO  32          1HB       PRO  32  -9.856  -7.277  13.349
  358   2HB   PRO  32          2HB       PRO  32  -8.206  -7.486  12.682
  359   1HG   PRO  32          1HG       PRO  32 -10.414  -5.659  11.692
  360   2HG   PRO  32          2HG       PRO  32  -8.681  -5.271  11.936
  361   1HD   PRO  32          1HD       PRO  32  -9.666  -5.881   9.485
  362   2HD   PRO  32          2HD       PRO  32  -8.049  -6.458  10.003
  363    QB   PRO  32           QB       PRO  32  -9.031  -7.382  13.015
  364    QG   PRO  32           QG       PRO  32  -9.547  -5.465  11.814
  365    QD   PRO  32           QD       PRO  32  -8.858  -6.170   9.744
  366    H    ASP  33           H        ASP  33 -11.730  -7.167  10.648
  367    HA   ASP  33           HA       ASP  33 -13.827  -8.376  12.184
  368   1HB   ASP  33          1HB       ASP  33 -14.004  -6.089  11.690
  369   2HB   ASP  33          2HB       ASP  33 -13.556  -6.295  10.013
  370    QB   ASP  33           QB       ASP  33 -13.780  -6.192  10.852
  371    H    LYS  34           H        LYS  34 -12.312  -9.684   9.436
  372    HA   LYS  34           HA       LYS  34 -14.723 -11.315   8.849
  373   1HB   LYS  34          1HB       LYS  34 -15.108  -9.566   7.393
  374   2HB   LYS  34          2HB       LYS  34 -13.449  -9.408   6.904
  375   1HG   LYS  34          1HG       LYS  34 -13.492 -11.264   5.480
  376   2HG   LYS  34          2HG       LYS  34 -14.950 -11.937   6.233
  377   1HD   LYS  34          1HD       LYS  34 -15.307 -10.873   3.975
  378   2HD   LYS  34          2HD       LYS  34 -16.362 -10.306   5.272
  379   1HE   LYS  34          1HE       LYS  34 -14.950  -8.288   5.545
  380   2HE   LYS  34          2HE       LYS  34 -13.889  -8.855   4.232
  381   1HZ   LYS  34          1HZ       LYS  34 -16.771  -8.256   3.979
  382   2HZ   LYS  34          2HZ       LYS  34 -15.575  -7.243   3.525
  383   3HZ   LYS  34          3HZ       LYS  34 -15.778  -8.694   2.740
  384    QB   LYS  34           QB       LYS  34 -14.278  -9.487   7.149
  385    QG   LYS  34           QG       LYS  34 -14.221 -11.600   5.856
  386    QD   LYS  34           QD       LYS  34 -15.834 -10.589   4.624
  387    QE   LYS  34           QE       LYS  34 -14.420  -8.571   4.889
  388    QZ   LYS  34           QZ       LYS  34 -16.041  -8.065   3.414
  389    H    ASN  35           H        ASN  35 -11.176 -10.915   8.239
  390    HA   ASN  35           HA       ASN  35 -10.968 -13.715   7.359
  391   1HB   ASN  35          1HB       ASN  35  -9.298 -11.890   6.602
  392   2HB   ASN  35          2HB       ASN  35  -8.681 -11.893   8.259
  393   1HD2  ASN  35          2HD2      ASN  35  -6.542 -14.265   6.344
  394   2HD2  ASN  35          1HD2      ASN  35  -6.958 -12.605   6.080
  395    QB   ASN  35           QB       ASN  35  -8.990 -11.891   7.431
  396    QD2  ASN  35           QD2      ASN  35  -6.750 -13.435   6.212
  397    H    LYS  36           H        LYS  36 -10.279 -11.593  10.161
  398    HA   LYS  36           HA       LYS  36  -9.733 -11.930  12.242
  399   1HB   LYS  36          1HB       LYS  36 -11.922 -13.862  11.915
  400   2HB   LYS  36          2HB       LYS  36 -10.795 -14.412  13.127
  401   1HG   LYS  36          1HG       LYS  36 -11.017 -11.835  13.945
  402   2HG   LYS  36          2HG       LYS  36 -12.586 -12.023  13.150
  403   1HD   LYS  36          1HD       LYS  36 -11.427 -13.729  15.395
  404   2HD   LYS  36          2HD       LYS  36 -12.687 -12.492  15.550
  405   1HE   LYS  36          1HE       LYS  36 -14.143 -13.837  14.021
  406   2HE   LYS  36          2HE       LYS  36 -12.914 -15.112  14.003
  407   1HZ   LYS  36          1HZ       LYS  36 -14.297 -14.143  16.439
  408   2HZ   LYS  36          2HZ       LYS  36 -14.688 -15.487  15.609
  409   3HZ   LYS  36          3HZ       LYS  36 -13.223 -15.401  16.354
  410    QB   LYS  36           QB       LYS  36 -11.359 -14.137  12.521
  411    QG   LYS  36           QG       LYS  36 -11.801 -11.929  13.547
  412    QD   LYS  36           QD       LYS  36 -12.057 -13.110  15.472
  413    QE   LYS  36           QE       LYS  36 -13.528 -14.475  14.012
  414    QZ   LYS  36           QZ       LYS  36 -14.069 -15.010  16.134
  415    H    GLU  37           H        GLU  37  -7.901 -12.839  10.151
  416    HA   GLU  37           HA       GLU  37  -6.650 -15.226  10.910
  417   1HB   GLU  37          1HB       GLU  37  -6.319 -13.303   8.933
  418   2HB   GLU  37          2HB       GLU  37  -4.811 -13.222   9.838
  419   1HG   GLU  37          1HG       GLU  37  -4.629 -15.702   9.666
  420   2HG   GLU  37          2HG       GLU  37  -6.075 -15.732   8.655
  421    QB   GLU  37           QB       GLU  37  -5.565 -13.262   9.385
  422    QG   GLU  37           QG       GLU  37  -5.352 -15.717   9.161
  423    HA   PRO  38           HA       PRO  38  -4.655 -13.398  14.619
  424   1HB   PRO  38          1HB       PRO  38  -2.789 -15.321  15.189
  425   2HB   PRO  38          2HB       PRO  38  -4.519 -15.494  15.572
  426   1HG   PRO  38          1HG       PRO  38  -3.001 -16.582  13.183
  427   2HG   PRO  38          2HG       PRO  38  -4.168 -17.432  14.240
  428   1HD   PRO  38          1HD       PRO  38  -4.882 -16.380  11.825
  429   2HD   PRO  38          2HD       PRO  38  -6.008 -16.373  13.216
  430    QB   PRO  38           QB       PRO  38  -3.654 -15.407  15.381
  431    QG   PRO  38           QG       PRO  38  -3.585 -17.007  13.711
  432    QD   PRO  38           QD       PRO  38  -5.445 -16.377  12.521
  433    H    GLY  39           H        GLY  39  -2.778 -12.148  14.917
  434   1HA   GLY  39          1HA       GLY  39  -0.731 -11.205  14.504
  435   2HA   GLY  39          2HA       GLY  39  -0.352 -12.562  13.440
  436    QA   GLY  39           QA       GLY  39  -0.542 -11.883  13.972
  437    H    ALA  40           H        ALA  40  -3.243 -10.743  12.653
  438    HA   ALA  40           HA       ALA  40  -1.844  -9.547  10.321
  439   1HB   ALA  40          2HB       ALA  40  -3.150 -11.543   9.746
  440   2HB   ALA  40          3HB       ALA  40  -4.609 -10.790  10.445
  441   3HB   ALA  40          1HB       ALA  40  -3.835 -10.079   9.018
  442    QB   ALA  40           QB       ALA  40  -3.865 -10.804   9.736
  443    H    GLU  41           H        GLU  41  -3.621  -8.684  13.118
  444    HA   GLU  41           HA       GLU  41  -5.360  -6.775  11.953
  445   1HB   GLU  41          1HB       GLU  41  -5.573  -7.835  14.190
  446   2HB   GLU  41          2HB       GLU  41  -4.284  -6.802  14.811
  447   1HG   GLU  41          1HG       GLU  41  -6.707  -5.594  13.405
  448   2HG   GLU  41          2HG       GLU  41  -6.867  -6.234  15.031
  449    QB   GLU  41           QB       GLU  41  -4.929  -7.319  14.500
  450    QG   GLU  41           QG       GLU  41  -6.787  -5.914  14.218
  451    H    GLU  42           H        GLU  42  -2.048  -6.410  13.220
  452    HA   GLU  42           HA       GLU  42  -2.003  -3.559  12.803
  453   1HB   GLU  42          1HB       GLU  42  -0.351  -4.873  14.243
  454   2HB   GLU  42          2HB       GLU  42   0.411  -5.421  12.751
  455   1HG   GLU  42          1HG       GLU  42   1.608  -3.492  13.649
  456   2HG   GLU  42          2HG       GLU  42   0.879  -3.067  12.103
  457    QB   GLU  42           QB       GLU  42   0.030  -5.147  13.497
  458    QG   GLU  42           QG       GLU  42   1.244  -3.279  12.876
  459    H    LYS  43           H        LYS  43  -1.183  -6.381  10.810
  460    HA   LYS  43           HA       LYS  43  -0.360  -5.063   8.509
  461   1HB   LYS  43          1HB       LYS  43  -1.001  -7.704   9.246
  462   2HB   LYS  43          2HB       LYS  43  -2.059  -7.391   7.909
  463   1HG   LYS  43          1HG       LYS  43  -0.410  -7.514   6.394
  464   2HG   LYS  43          2HG       LYS  43   0.616  -6.388   7.238
  465   1HD   LYS  43          1HD       LYS  43   0.338  -9.338   7.935
  466   2HD   LYS  43          2HD       LYS  43   1.637  -8.650   6.956
  467   1HE   LYS  43          1HE       LYS  43   1.048  -7.887   9.855
  468   2HE   LYS  43          2HE       LYS  43   2.303  -9.017   9.327
  469   1HZ   LYS  43          2HZ       LYS  43   3.356  -7.211   8.127
  470   2HZ   LYS  43          3HZ       LYS  43   2.216  -6.137   8.624
  471   3HZ   LYS  43          1HZ       LYS  43   3.166  -6.839   9.738
  472    QB   LYS  43           QB       LYS  43  -1.530  -7.547   8.577
  473    QG   LYS  43           QG       LYS  43   0.103  -6.951   6.816
  474    QD   LYS  43           QD       LYS  43   0.988  -8.994   7.446
  475    QE   LYS  43           QE       LYS  43   1.675  -8.452   9.591
  476    QZ   LYS  43           QZ       LYS  43   2.913  -6.729   8.830
  477    H    PHE  44           H        PHE  44  -3.643  -5.650   9.690
  478    HA   PHE  44           HA       PHE  44  -4.962  -4.565   7.366
  479   1HB   PHE  44          1HB       PHE  44  -6.109  -5.950   9.047
  480   2HB   PHE  44          2HB       PHE  44  -6.030  -4.636  10.198
  481    HD1  PHE  44          1HD       PHE  44  -7.513  -5.679   6.950
  482    HD2  PHE  44          2HD       PHE  44  -7.530  -2.733  10.102
  483    HE1  PHE  44          1HE       PHE  44  -9.608  -4.720   6.044
  484    HE2  PHE  44          2HE       PHE  44  -9.612  -1.762   9.172
  485   1HZ   PHE  44           HZ       PHE  44 -10.651  -2.736   7.141
  486    QB   PHE  44           QB       PHE  44  -6.069  -5.293   9.623
  487    QG   PHE  44           QD       PHE  44  -7.522  -4.206   8.526
  488    QZ   PHE  44           QE       PHE  44  -9.610  -3.241   7.608
  489    QZ   PHE  44           QR       PHE  44  -8.983  -3.526   7.882
  490    H    LYS  45           H        LYS  45  -3.957  -3.066  10.478
  491    HA   LYS  45           HA       LYS  45  -4.778  -0.394   9.844
  492   1HB   LYS  45          1HB       LYS  45  -2.430  -1.345  11.534
  493   2HB   LYS  45          2HB       LYS  45  -2.976   0.321  11.417
  494   1HG   LYS  45          1HG       LYS  45  -5.079  -0.175  12.480
  495   2HG   LYS  45          2HG       LYS  45  -4.820  -1.921  12.349
  496   1HD   LYS  45          1HD       LYS  45  -4.395  -1.169  14.649
  497   2HD   LYS  45          2HD       LYS  45  -2.951  -1.837  13.887
  498   1HE   LYS  45          1HE       LYS  45  -2.363   0.629  13.282
  499   2HE   LYS  45          2HE       LYS  45  -3.589   1.082  14.477
  500   1HZ   LYS  45          3HZ       LYS  45  -1.210  -0.611  14.940
  501   2HZ   LYS  45          1HZ       LYS  45  -1.324   0.985  15.323
  502   3HZ   LYS  45          2HZ       LYS  45  -2.250  -0.091  16.131
  503    QB   LYS  45           QB       LYS  45  -2.703  -0.512  11.476
  504    QG   LYS  45           QG       LYS  45  -4.950  -1.048  12.415
  505    QD   LYS  45           QD       LYS  45  -3.673  -1.503  14.268
  506    QE   LYS  45           QE       LYS  45  -2.976   0.856  13.879
  507    QZ   LYS  45           QZ       LYS  45  -1.595   0.094  15.465
  508    H    GLU  46           H        GLU  46  -1.862  -2.220   8.859
  509    HA   GLU  46           HA       GLU  46  -0.356  -0.271   7.792
  510   1HB   GLU  46          1HB       GLU  46  -0.415  -3.024   8.184
  511   2HB   GLU  46          2HB       GLU  46  -0.236  -2.875   6.457
  512   1HG   GLU  46          1HG       GLU  46   1.596  -1.170   7.161
  513   2HG   GLU  46          2HG       GLU  46   1.522  -1.944   8.739
  514    QB   GLU  46           QB       GLU  46  -0.325  -2.950   7.321
  515    QG   GLU  46           QG       GLU  46   1.559  -1.557   7.950
  516    H    ILE  47           H        ILE  47  -3.107  -2.075   6.395
  517    HA   ILE  47           HA       ILE  47  -2.851  -1.552   3.610
  518    HB   ILE  47           HB       ILE  47  -5.363  -1.502   5.271
  519   1HG1  ILE  47          1HG1      ILE  47  -4.029  -3.873   3.921
  520   2HG1  ILE  47          2HG1      ILE  47  -4.079  -3.560   5.644
  521   1HG2  ILE  47          3HG2      ILE  47  -5.589  -0.601   2.896
  522   2HG2  ILE  47          1HG2      ILE  47  -5.033  -2.158   2.303
  523   3HG2  ILE  47          2HG2      ILE  47  -6.556  -2.031   3.172
  524   1HD1  ILE  47          3HD1      ILE  47  -6.577  -3.502   5.493
  525   2HD1  ILE  47          1HD1      ILE  47  -6.369  -4.082   3.821
  526   3HD1  ILE  47          2HD1      ILE  47  -5.817  -5.091   5.161
  527    QG1  ILE  47           QG1      ILE  47  -4.054  -3.716   4.783
  528    QG2  ILE  47           QG2      ILE  47  -5.726  -1.597   2.790
  529    QD1  ILE  47           QD1      ILE  47  -6.254  -4.225   4.825
  530    H    ALA  48           H        ALA  48  -4.447   0.404   6.245
  531    HA   ALA  48           HA       ALA  48  -5.318   2.479   4.533
  532   1HB   ALA  48          2HB       ALA  48  -4.792   2.445   7.514
  533   2HB   ALA  48          3HB       ALA  48  -5.575   3.780   6.645
  534   3HB   ALA  48          1HB       ALA  48  -6.328   2.182   6.670
  535    QB   ALA  48           QB       ALA  48  -5.565   2.802   6.943
  536    H    GLU  49           H        GLU  49  -2.251   2.074   6.354
  537    HA   GLU  49           HA       GLU  49  -1.284   4.750   5.772
  538   1HB   GLU  49          1HB       GLU  49  -0.579   3.163   7.673
  539   2HB   GLU  49          2HB       GLU  49   0.436   2.344   6.484
  540   1HG   GLU  49          1HG       GLU  49   1.643   4.461   6.049
  541   2HG   GLU  49          2HG       GLU  49   0.550   5.333   7.132
  542    QB   GLU  49           QB       GLU  49  -0.072   2.753   7.079
  543    QG   GLU  49           QG       GLU  49   1.096   4.897   6.590
  544    H    ALA  50           H        ALA  50  -0.873   1.480   4.247
  545    HA   ALA  50           HA       ALA  50   0.792   2.562   2.117
  546   1HB   ALA  50          3HB       ALA  50  -0.724  -0.076   2.403
  547   2HB   ALA  50          1HB       ALA  50   0.426   0.310   1.106
  548   3HB   ALA  50          2HB       ALA  50   0.977   0.205   2.786
  549    QB   ALA  50           QB       ALA  50   0.226   0.146   2.099
  550    H    TYR  51           H        TYR  51  -2.602   2.706   2.814
  551    HA   TYR  51           HA       TYR  51  -3.583   2.717   0.082
  552   1HB   TYR  51          1HB       TYR  51  -4.737   2.425   2.552
  553   2HB   TYR  51          2HB       TYR  51  -5.052   4.102   2.324
  554    HD1  TYR  51          1HD       TYR  51  -5.523   0.673   0.999
  555    HD2  TYR  51          2HD       TYR  51  -7.027   4.719   1.067
  556    HE1  TYR  51          1HE       TYR  51  -7.701  -0.130   0.129
  557    HE2  TYR  51          2HE       TYR  51  -9.168   3.933   0.179
  558    HH   TYR  51           HH       TYR  51 -10.179   2.150  -0.947
  559    QB   TYR  51           QB       TYR  51  -4.895   3.264   2.438
  560    QG   TYR  51           QD       TYR  51  -6.275   2.696   1.033
  561    QZ   TYR  51           QE       TYR  51  -8.434   1.902   0.154
  562    QR   TYR  51           QR       TYR  51  -7.355   2.299   0.593
  563    H    ASP  52           H        ASP  52  -2.840   5.052   2.654
  564    HA   ASP  52           HA       ASP  52  -3.167   7.495   1.278
  565   1HB   ASP  52          1HB       ASP  52  -2.902   7.162   3.751
  566   2HB   ASP  52          2HB       ASP  52  -1.200   6.816   3.493
  567    QB   ASP  52           QB       ASP  52  -2.051   6.989   3.622
  568    H    VAL  53           H        VAL  53  -0.077   5.608   1.822
  569    HA   VAL  53           HA       VAL  53   1.357   7.331   0.082
  570    HB   VAL  53           HB       VAL  53   1.897   4.407   0.800
  571   1HG1  VAL  53          3HG1      VAL  53   3.712   6.387  -0.661
  572   2HG1  VAL  53          1HG1      VAL  53   4.261   4.859   0.073
  573   3HG1  VAL  53          2HG1      VAL  53   3.129   4.827  -1.277
  574   1HG2  VAL  53          2HG2      VAL  53   2.910   7.107   1.709
  575   2HG2  VAL  53          3HG2      VAL  53   1.997   5.921   2.667
  576   3HG2  VAL  53          1HG2      VAL  53   3.676   5.572   2.177
  577    QG1  VAL  53           QG1      VAL  53   3.700   5.358  -0.622
  578    QG2  VAL  53           QG2      VAL  53   2.861   6.200   2.184
  579    QQG  VAL  53           QQG      VAL  53   3.281   5.779   0.781
  580    H    LEU  54           H        LEU  54  -0.355   4.183  -0.797
  581    HA   LEU  54           HA       LEU  54   0.762   4.406  -3.374
  582   1HB   LEU  54          1HB       LEU  54  -1.324   2.553  -2.252
  583   2HB   LEU  54          2HB       LEU  54  -0.559   2.439  -3.810
  584    HG   LEU  54           HG       LEU  54   1.032   2.328  -1.219
  585   1HD1  LEU  54          3HD1      LEU  54  -0.455   0.395  -1.484
  586   2HD1  LEU  54          1HD1      LEU  54   0.243   0.081  -3.105
  587   3HD1  LEU  54          2HD1      LEU  54   1.235  -0.048  -1.634
  588   1HD2  LEU  54          2HD2      LEU  54   1.872   1.917  -4.105
  589   2HD2  LEU  54          3HD2      LEU  54   2.491   3.101  -2.914
  590   3HD2  LEU  54          1HD2      LEU  54   2.813   1.402  -2.689
  591    QB   LEU  54           QB       LEU  54  -0.941   2.496  -3.031
  592    QD1  LEU  54           QD1      LEU  54   0.341   0.143  -2.074
  593    QD2  LEU  54           QD2      LEU  54   2.392   2.140  -3.236
  594    QQD  LEU  54           QQD      LEU  54   1.367   1.141  -2.655
  595    H    SER  55           H        SER  55  -1.793   6.216  -2.076
  596    HA   SER  55           HA       SER  55  -2.656   6.741  -4.864
  597   1HB   SER  55          1HB       SER  55  -4.990   6.939  -4.203
  598   2HB   SER  55          2HB       SER  55  -4.334   5.309  -4.040
  599    HG   SER  55           HG       SER  55  -4.009   5.915  -1.714
  600    QB   SER  55           QB       SER  55  -4.662   6.124  -4.121
  601    H    ASP  56           H        ASP  56  -1.469   8.227  -1.946
  602    HA   ASP  56           HA       ASP  56  -2.430  10.868  -2.787
  603   1HB   ASP  56          1HB       ASP  56  -2.061  10.648  -0.419
  604   2HB   ASP  56          2HB       ASP  56  -0.402  10.062  -0.677
  605    QB   ASP  56           QB       ASP  56  -1.232  10.355  -0.548
  606    HA   PRO  57           HA       PRO  57   0.785  10.346  -5.801
  607   1HB   PRO  57          1HB       PRO  57   0.526  12.641  -7.301
  608   2HB   PRO  57          2HB       PRO  57  -0.606  11.257  -7.387
  609   1HG   PRO  57          1HG       PRO  57  -0.891  13.787  -5.742
  610   2HG   PRO  57          2HG       PRO  57  -2.101  13.035  -6.829
  611   1HD   PRO  57          1HD       PRO  57  -2.157  12.596  -4.160
  612   2HD   PRO  57          2HD       PRO  57  -2.510  11.272  -5.310
  613    QB   PRO  57           QB       PRO  57  -0.040  11.949  -7.344
  614    QG   PRO  57           QG       PRO  57  -1.496  13.411  -6.285
  615    QD   PRO  57           QD       PRO  57  -2.334  11.934  -4.735
  616    H    ARG  58           H        ARG  58   0.838  12.838  -3.341
  617    HA   ARG  58           HA       ARG  58   3.546  13.717  -4.203
  618   1HB   ARG  58          1HB       ARG  58   1.522  14.796  -2.281
  619   2HB   ARG  58          2HB       ARG  58   3.226  14.970  -1.849
  620   1HG   ARG  58          1HG       ARG  58   2.665  16.935  -3.070
  621   2HG   ARG  58          2HG       ARG  58   3.705  15.949  -4.090
  622   1HD   ARG  58          1HD       ARG  58   1.435  15.048  -5.101
  623   2HD   ARG  58          2HD       ARG  58   0.723  16.469  -4.343
  624    HE   ARG  58           HE       ARG  58   2.386  16.291  -6.693
  625   1HH1  ARG  58          2HH2      ARG  58   1.495  18.593  -4.073
  626   2HH1  ARG  58          1HH2      ARG  58   1.661  19.962  -5.133
  627   1HH2  ARG  58          2HH1      ARG  58   2.705  18.120  -7.933
  628   2HH2  ARG  58          1HH1      ARG  58   2.360  19.721  -7.319
  629    QB   ARG  58           QB       ARG  58   2.374  14.883  -2.065
  630    QG   ARG  58           QG       ARG  58   3.185  16.442  -3.580
  631    QD   ARG  58           QD       ARG  58   1.079  15.759  -4.722
  632    QH1  ARG  58           QH2      ARG  58   1.578  19.277  -4.603
  633    QH2  ARG  58           QH1      ARG  58   2.533  18.920  -7.626
  634    H    LYS  59           H        LYS  59   2.058  11.768  -1.518
  635    HA   LYS  59           HA       LYS  59   4.657  11.400  -0.356
  636   1HB   LYS  59          1HB       LYS  59   2.199  10.807   0.505
  637   2HB   LYS  59          2HB       LYS  59   2.587   9.214  -0.117
  638   1HG   LYS  59          1HG       LYS  59   4.073  10.811   2.017
  639   2HG   LYS  59          2HG       LYS  59   3.045   9.428   2.279
  640   1HD   LYS  59          1HD       LYS  59   4.903   8.183   2.298
  641   2HD   LYS  59          2HD       LYS  59   4.956   8.372   0.565
  642   1HE   LYS  59          1HE       LYS  59   7.102   9.023   1.247
  643   2HE   LYS  59          2HE       LYS  59   6.290  10.567   1.032
  644   1HZ   LYS  59          1HZ       LYS  59   6.650   9.156   3.622
  645   2HZ   LYS  59          2HZ       LYS  59   7.555  10.444   3.124
  646   3HZ   LYS  59          3HZ       LYS  59   5.940  10.600   3.461
  647    QB   LYS  59           QB       LYS  59   2.393  10.010   0.194
  648    QG   LYS  59           QG       LYS  59   3.559  10.119   2.148
  649    QD   LYS  59           QD       LYS  59   4.929   8.278   1.431
  650    QE   LYS  59           QE       LYS  59   6.696   9.795   1.139
  651    QZ   LYS  59           QZ       LYS  59   6.715  10.067   3.403
  652    H    ARG  60           H        ARG  60   2.746   9.576  -2.824
  653    HA   ARG  60           HA       ARG  60   4.938   7.747  -3.259
  654   1HB   ARG  60          1HB       ARG  60   2.250   7.979  -4.239
  655   2HB   ARG  60          2HB       ARG  60   3.327   7.953  -5.643
  656   1HG   ARG  60          1HG       ARG  60   4.461   5.930  -4.808
  657   2HG   ARG  60          2HG       ARG  60   3.509   5.999  -3.318
  658   1HD   ARG  60          1HD       ARG  60   2.457   4.399  -4.578
  659   2HD   ARG  60          2HD       ARG  60   1.437   5.844  -4.717
  660    HE   ARG  60           HE       ARG  60   3.501   5.271  -6.791
  661   1HH1  ARG  60          2HH2      ARG  60  -0.085   5.233  -6.166
  662   2HH1  ARG  60          1HH2      ARG  60  -0.422   5.299  -7.860
  663   1HH2  ARG  60          2HH1      ARG  60   2.905   5.321  -8.961
  664   2HH2  ARG  60          1HH1      ARG  60   1.227   5.425  -9.418
  665    QB   ARG  60           QB       ARG  60   2.788   7.966  -4.941
  666    QG   ARG  60           QG       ARG  60   3.985   5.965  -4.063
  667    QD   ARG  60           QD       ARG  60   1.947   5.121  -4.648
  668    QH1  ARG  60           QH2      ARG  60  -0.253   5.266  -7.013
  669    QH2  ARG  60           QH1      ARG  60   2.066   5.373  -9.189
  670    H    GLU  61           H        GLU  61   4.488  11.100  -4.386
  671    HA   GLU  61           HA       GLU  61   6.244  10.836  -6.611
  672   1HB   GLU  61          1HB       GLU  61   4.908  12.882  -6.037
  673   2HB   GLU  61          2HB       GLU  61   6.041  13.273  -4.773
  674   1HG   GLU  61          1HG       GLU  61   6.850  12.862  -7.694
  675   2HG   GLU  61          2HG       GLU  61   6.233  14.394  -7.088
  676    QB   GLU  61           QB       GLU  61   5.475  13.077  -5.405
  677    QG   GLU  61           QG       GLU  61   6.541  13.628  -7.391
  678    H    ILE  62           H        ILE  62   6.882  11.320  -3.118
  679    HA   ILE  62           HA       ILE  62   9.691  11.575  -3.439
  680    HB   ILE  62           HB       ILE  62   8.119  10.560  -1.026
  681   1HG1  ILE  62          1HG1      ILE  62   9.064  13.398  -1.655
  682   2HG1  ILE  62          2HG1      ILE  62   7.413  12.833  -1.866
  683   1HG2  ILE  62          3HG2      ILE  62  10.550  10.052  -0.812
  684   2HG2  ILE  62          1HG2      ILE  62  10.922  11.765  -1.125
  685   3HG2  ILE  62          2HG2      ILE  62  10.057  11.266   0.345
  686   1HD1  ILE  62          1HD1      ILE  62   7.300  12.275   0.573
  687   2HD1  ILE  62          2HD1      ILE  62   8.880  13.061   0.782
  688   3HD1  ILE  62          3HD1      ILE  62   7.495  13.999   0.211
  689    QG1  ILE  62           QG1      ILE  62   8.239  13.116  -1.761
  690    QG2  ILE  62           QG2      ILE  62  10.510  11.028  -0.531
  691    QD1  ILE  62           QD1      ILE  62   7.892  13.111   0.522
  692    H    PHE  63           H        PHE  63   7.621   8.708  -3.063
  693    HA   PHE  63           HA       PHE  63   9.854   6.846  -2.777
  694   1HB   PHE  63          1HB       PHE  63   7.279   6.648  -2.091
  695   2HB   PHE  63          2HB       PHE  63   7.004   6.195  -3.746
  696    HD1  PHE  63          2HD       PHE  63   9.009   4.108  -4.392
  697    HD2  PHE  63          1HD       PHE  63   6.868   4.890  -0.727
  698    HE1  PHE  63          2HE       PHE  63   9.204   1.730  -3.745
  699    HE2  PHE  63          1HE       PHE  63   7.099   2.524  -0.107
  700   1HZ   PHE  63           HZ       PHE  63   8.234   0.916  -1.551
  701    QB   PHE  63           QB       PHE  63   7.142   6.422  -2.919
  702    QG   PHE  63           QD       PHE  63   7.939   4.499  -2.560
  703    QZ   PHE  63           QE       PHE  63   8.151   2.127  -1.926
  704    QZ   PHE  63           QR       PHE  63   8.083   2.833  -2.105
  705    H    ASP  64           H        ASP  64   7.838   8.083  -5.546
  706    HA   ASP  64           HA       ASP  64   9.122   6.284  -7.414
  707   1HB   ASP  64          1HB       ASP  64   6.794   7.540  -7.502
  708   2HB   ASP  64          2HB       ASP  64   7.741   8.825  -8.241
  709    QB   ASP  64           QB       ASP  64   7.268   8.183  -7.871
  710    H    ARG  65           H        ARG  65   9.753   9.500  -6.197
  711    HA   ARG  65           HA       ARG  65  11.747  10.410  -8.024
  712   1HB   ARG  65          1HB       ARG  65  10.696  12.038  -6.687
  713   2HB   ARG  65          2HB       ARG  65  10.885  11.048  -5.247
  714   1HG   ARG  65          1HG       ARG  65  13.357  11.540  -5.245
  715   2HG   ARG  65          2HG       ARG  65  13.034  12.744  -6.485
  716   1HD   ARG  65          1HD       ARG  65  11.740  12.624  -3.714
  717   2HD   ARG  65          2HD       ARG  65  13.083  13.666  -4.186
  718    HE   ARG  65           HE       ARG  65  10.334  13.818  -5.403
  719   1HH1  ARG  65          2HH2      ARG  65  12.557  15.568  -3.506
  720   2HH1  ARG  65          1HH2      ARG  65  12.455  17.089  -4.356
  721   1HH2  ARG  65          2HH1      ARG  65  10.012  15.625  -6.556
  722   2HH2  ARG  65          1HH1      ARG  65  10.861  17.136  -6.227
  723    QB   ARG  65           QB       ARG  65  10.790  11.543  -5.967
  724    QG   ARG  65           QG       ARG  65  13.195  12.142  -5.865
  725    QD   ARG  65           QD       ARG  65  12.412  13.145  -3.950
  726    QH1  ARG  65           QH2      ARG  65  12.506  16.328  -3.931
  727    QH2  ARG  65           QH1      ARG  65  10.436  16.380  -6.391
  728    H    TYR  66           H        TYR  66  12.044   9.125  -4.667
  729    HA   TYR  66           HA       TYR  66  14.861   8.393  -5.245
  730   1HB   TYR  66          1HB       TYR  66  13.456   8.299  -2.533
  731   2HB   TYR  66          2HB       TYR  66  15.177   8.187  -2.941
  732    HD1  TYR  66          1HD       TYR  66  16.037  10.372  -4.423
  733    HD2  TYR  66          2HD       TYR  66  12.896  10.262  -1.458
  734    HE1  TYR  66          1HE       TYR  66  16.415  12.761  -3.936
  735    HE2  TYR  66          2HE       TYR  66  13.287  12.648  -0.952
  736    HH   TYR  66           HH       TYR  66  15.479  14.709  -2.774
  737    QB   TYR  66           QB       TYR  66  14.316   8.243  -2.737
  738    QG   TYR  66           QD       TYR  66  14.467  10.317  -2.940
  739    QZ   TYR  66           QE       TYR  66  14.851  12.704  -2.444
  740    QR   TYR  66           QR       TYR  66  14.659  11.511  -2.692
  741    H    GLY  67           H        GLY  67  12.700   6.760  -2.988
  742   1HA   GLY  67          1HA       GLY  67  11.548   4.745  -3.142
  743   2HA   GLY  67          2HA       GLY  67  12.005   4.699  -4.851
  744    QA   GLY  67           QA       GLY  67  11.777   4.722  -3.997
  745    H    GLU  68           H        GLU  68  12.682   3.554  -1.799
  746    HA   GLU  68           HA       GLU  68  13.954   2.001  -0.908
  747   1HB   GLU  68          1HB       GLU  68  14.458   0.827  -3.036
  748   2HB   GLU  68          2HB       GLU  68  15.673   2.061  -3.367
  749   1HG   GLU  68          1HG       GLU  68  16.663  -0.048  -2.524
  750   2HG   GLU  68          2HG       GLU  68  17.045   1.346  -1.505
  751    QB   GLU  68           QB       GLU  68  15.066   1.444  -3.202
  752    QG   GLU  68           QG       GLU  68  16.854   0.649  -2.014
  753    H    GLU  69           H        GLU  69  15.754   2.398   0.451
  754    HA   GLU  69           HA       GLU  69  16.272   3.669   2.046
  755   1HB   GLU  69          1HB       GLU  69  18.328   4.801   1.560
  756   2HB   GLU  69          2HB       GLU  69  18.218   3.131   1.085
  757   1HG   GLU  69          1HG       GLU  69  17.859   3.974  -1.332
  758   2HG   GLU  69          2HG       GLU  69  18.374   5.555  -0.730
  759    QB   GLU  69           QB       GLU  69  18.273   3.966   1.323
  760    QG   GLU  69           QG       GLU  69  18.116   4.764  -1.031
  761    H    GLY  70           H        GLY  70  16.280   6.028  -0.477
  762   1HA   GLY  70          1HA       GLY  70  15.697   8.539   0.124
  763   2HA   GLY  70          2HA       GLY  70  14.842   7.587  -1.025
  764    QA   GLY  70           QA       GLY  70  15.270   8.063  -0.450
  765    H    LEU  71           H        LEU  71  13.160   6.002   0.364
  766    HA   LEU  71           HA       LEU  71  11.006   7.899   0.676
  767   1HB   LEU  71          1HB       LEU  71  10.785   5.556  -0.147
  768   2HB   LEU  71          2HB       LEU  71  11.203   4.932   1.439
  769    HG   LEU  71           HG       LEU  71   8.805   4.857   0.755
  770   1HD1  LEU  71          3HD1      LEU  71   9.460   4.632   3.131
  771   2HD1  LEU  71          1HD1      LEU  71   9.108   6.361   3.362
  772   3HD1  LEU  71          2HD1      LEU  71   7.830   5.268   2.859
  773   1HD2  LEU  71          1HD2      LEU  71   8.708   7.135  -0.281
  774   2HD2  LEU  71          2HD2      LEU  71   7.390   6.804   0.861
  775   3HD2  LEU  71          3HD2      LEU  71   8.754   7.832   1.350
  776    QB   LEU  71           QB       LEU  71  10.994   5.244   0.646
  777    QD1  LEU  71           QD1      LEU  71   8.799   5.420   3.117
  778    QD2  LEU  71           QD2      LEU  71   8.284   7.257   0.643
  779    QQD  LEU  71           QQD      LEU  71   8.542   6.339   1.880
  780    H    LYS  72           H        LYS  72  13.118   6.222   3.010
  781    HA   LYS  72           HA       LYS  72  12.357   8.170   5.020
  782   1HB   LYS  72          1HB       LYS  72  10.799   6.028   5.184
  783   2HB   LYS  72          2HB       LYS  72  12.184   5.280   5.954
  784   1HG   LYS  72          1HG       LYS  72  10.831   7.883   6.781
  785   2HG   LYS  72          2HG       LYS  72  10.533   6.309   7.521
  786   1HD   LYS  72          1HD       LYS  72  12.869   6.178   8.256
  787   2HD   LYS  72          2HD       LYS  72  13.216   7.776   7.574
  788   1HE   LYS  72          1HE       LYS  72  11.147   7.211   9.739
  789   2HE   LYS  72          2HE       LYS  72  12.793   7.771  10.036
  790   1HZ   LYS  72          1HZ       LYS  72  10.798   9.306   8.478
  791   2HZ   LYS  72          2HZ       LYS  72  11.174   9.542  10.057
  792   3HZ   LYS  72          3HZ       LYS  72  12.321   9.798   8.924
  793    QB   LYS  72           QB       LYS  72  11.492   5.654   5.569
  794    QG   LYS  72           QG       LYS  72  10.682   7.096   7.151
  795    QD   LYS  72           QD       LYS  72  13.042   6.977   7.915
  796    QE   LYS  72           QE       LYS  72  11.970   7.491   9.888
  797    QZ   LYS  72           QZ       LYS  72  11.431   9.549   9.153
  798    H    GLY  73           H        GLY  73  14.505   8.715   4.165
  799   1HA   GLY  73          1HA       GLY  73  16.629   7.013   3.826
  800   2HA   GLY  73          2HA       GLY  73  16.788   8.739   4.154
  801    QA   GLY  73           QA       GLY  73  16.708   7.876   3.990
  802    H    SER  74           H        SER  74  15.649   8.496   6.907
  803    HA   SER  74           HA       SER  74  16.538   8.454   9.002
  804   1HB   SER  74          1HB       SER  74  17.068   5.591   8.130
  805   2HB   SER  74          2HB       SER  74  17.213   6.182   9.792
  806    HG   SER  74           HG       SER  74  15.208   6.030  10.011
  807    QB   SER  74           QB       SER  74  17.141   5.887   8.961
  808    H    GLY  75           H        GLY  75  18.305   9.647   7.161
  809   1HA   GLY  75          1HA       GLY  75  20.561  10.350   8.224
  810   2HA   GLY  75          2HA       GLY  75  21.012   8.676   7.805
  811    QA   GLY  75           QA       GLY  75  20.787   9.513   8.015
  812    H    CYS  76           H        CYS  76  22.548   9.897   6.492
  813    HA   CYS  76           HA       CYS  76  23.410  10.579   4.512
  814   1HB   CYS  76          1HB       CYS  76  20.811   9.830   3.138
  815   2HB   CYS  76          2HB       CYS  76  22.421   9.954   2.429
  816    HG   CYS  76           HG       CYS  76  21.526   7.421   2.605
  817    QB   CYS  76           QB       CYS  76  21.616   9.892   2.784
   
  No H/Q in entry =         817