*HEADER    BLOOD CLOTTING                          02-NOV-02   1N4Y              
*TITLE     REFINED STRUCTURE OF KISTRIN                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KISTRIN;                                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RHODOSTOMIN;                                                
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: AGKISTRODON RHODOSTOMA;                         
*SOURCE   3 ORGANISM_COMMON: MALAYAN PIT VIPER;                                  
*SOURCE   4 GENE: RHOD;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PZKIS                                     
*KEYWDS    BETA, VENOM, BLOOD COAGULATION, RGD                                   
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    A.M.KREZEL, J.KRANE, M.S.DENNIS, R.A.LAZARUS, G.WAGNER                
*REVDAT   1   28-JAN-03 1N4Y    0                                                
  1 GLY  
         QA      3 GLU  HN      6.00
  2 LYS  
         HN      2 LYS  QG      6.00
         HN      2 LYS  QD      6.00
         HA      3 GLU  HN      3.00
         HB2     3 GLU  HN      4.40
         HB3     3 GLU  HN      4.40
         QB      3 GLU  HN      4.21
         QG      3 GLU  HN      6.00
         QD      3 GLU  HN      6.00
  3 GLU  
         HN      3 GLU  HB2     3.40
         HN      3 GLU  HB3     3.70
         HN      3 GLU  QG      5.70
         HN      4 CYSS HN      4.30
         HN      4 CYSS HA      5.00
         HA      4 CYSS HN      3.30
         HA      4 CYSS HB2     4.80
         HB2     4 CYSS HN      4.10
         HB3     4 CYSS HN      3.90
         QG      4 CYSS HN      6.00
  4 CYSS 
         HN      4 CYSS HB2     3.10
         HN      4 CYSS HB3     4.10
         HN      5 ASP  HA      5.00
         HN      6 CYSS HN      5.00
         HA      5 ASP  HN      2.60
         HA      6 CYSS HN      3.50
         HA     19 CYSS HB2     4.80
         HA     19 CYSS HB3     5.00
         HA     20 LYS  QE      6.00
         CB     19 CYSS SG      3.10
         HB2     6 CYSS HN      3.60
         HB2     7 SER  HA      4.10
         HB2    19 CYSS HB3     4.60
         HB3     5 ASP  HN      3.40
         HB3     6 CYSS HN      3.20
         HB3    19 CYSS HA      4.80
         SG     19 CYSS CB      3.10
         SG     19 CYSS SG      2.10
  5 ASP  
         HN      5 ASP  HB2     3.30
         HN      5 ASP  HB3     3.50
         HN      6 CYSS HN      3.00
         HN      6 CYSS HB2     5.00
         HN     20 LYS  HB2     4.20
         HN     20 LYS  HB3     5.00
         HN     20 LYS  QD      4.98
         HN     21 LEU  HN      4.30
         HA     21 LEU  QD1     6.00
         HA     21 LEU  QD2     6.30
         HB2     6 CYSS HN      3.70
         HB2    20 LYS  HA      3.20
         HB2    21 LEU  HN      3.60
         HB2    21 LEU  HG      3.30
         HB2    21 LEU  QD1     5.50
         HB2    21 LEU  QD2     4.70
         HB2    28 GLY  HN      5.50
         HB3     6 CYSS HN      3.90
         HB3    20 LYS  HA      4.00
         HB3    21 LEU  HN      3.70
         HB3    21 LEU  HG      3.20
         HB3    21 LEU  QD1     5.30
         HB3    21 LEU  QD2     4.30
         HB3    28 GLY  HN      5.00
         OD1    21 LEU  N       3.50
         OD1    21 LEU  HN      2.50
  6 CYSS 
         HN      6 CYSS HB2     3.30
         HN      6 CYSS HB3     3.70
         HN      7 SER  HN      5.00
         HN      7 SER  HA      5.00
         HN     19 CYSS HA      5.10
         HN     19 CYSS HB3     5.00
         HN     21 LEU  QD2     6.00
         HA      7 SER  HN      2.80
         HA      8 SER  HN      3.90
         HA     11 ASN  HB2     5.00
         HA     11 ASN  HB3     5.00
         HA     11 ASN  HD21    5.00
         HA     11 ASN  HD22    5.00
         HA     29 GLU  HB3     5.00
         HA     29 GLU  HG2     4.50
         HA     29 GLU  HG3     4.50
         HA     29 GLU  QG      4.31
         CB     14 CYSS SG      3.10
         HB2     7 SER  HN      4.10
         HB2     8 SER  HN      3.80
         HB2    11 ASN  HD21    4.50
         HB2    11 ASN  HD22    5.00
         HB3     7 SER  HN      3.80
         HB3     8 SER  HN      3.60
         HB3    11 ASN  HN      4.70
         HB3    11 ASN  HB2     3.60
         HB3    11 ASN  HD21    3.90
         HB3    11 ASN  HD22    4.20
         SG     14 CYSS CB      3.10
         SG     14 CYSS SG      2.10
  7 SER  
         HN      7 SER  HB2     3.50
         HN      7 SER  HB3     3.50
         HN      8 SER  HN      3.30
         HN      8 SER  HB2     5.00
         HN     11 ASN  HB2     5.00
         HN     11 ASN  HB3     5.00
         HN     11 ASN  HD21    5.00
         HN     11 ASN  HD22    5.00
         HN     29 GLU  HB2     5.00
         HN     29 GLU  HG2     5.00
         HN     29 GLU  HG3     5.00
         HB2     8 SER  HN      4.10
         HB3     8 SER  HN      4.10
         QB      8 SER  HN      3.81
         QB      8 SER  HA      4.78
  8 SER  
         HN      8 SER  HB2     3.20
         HN      8 SER  HB3     3.90
         HN      9 PRO  HA      5.00
         HN     10 GLU  HN      5.00
         HN     11 ASN  HN      4.80
         HN     11 ASN  HB2     4.20
         HN     11 ASN  HB3     4.40
         HN     11 ASN  HD21    5.00
         HA      9 PRO  QG      5.80
         HA     10 GLU  HN      4.30
         HA     11 ASN  HN      5.00
         HB2    10 GLU  HN      3.80
         HB2    10 GLU  QG      6.00
         HB2    11 ASN  HN      3.90
         HB2    11 ASN  HB2     3.80
         HB2    11 ASN  HD21    5.00
         HB2    11 ASN  HD22    5.00
         HB3    10 GLU  HN      3.40
         HB3    11 ASN  HN      4.40
         HB3    11 ASN  HB2     5.00
  9 PRO  
         HA     11 ASN  HN      4.00
         HA     16 ALA  HA      4.00
         HA     16 ALA  QB      5.20
         HB2    10 GLU  HN      3.90
         HB2    10 GLU  HA      4.30
         HB2    11 ASN  HN      5.40
         HB3    10 GLU  HN      4.70
         HB3    16 ALA  HA      5.00
         HB3    16 ALA  QB      5.00
         QG     11 ASN  HN      6.00
         QD     10 GLU  HN      5.20
 10 GLU  
         HN     10 GLU  HB2     3.10
         HN     10 GLU  HB3     3.50
         HN     10 GLU  QG      5.10
         HN     11 ASN  HN      3.10
         HN     11 ASN  HA      5.00
         HN     11 ASN  HB2     4.40
         HA     11 ASN  HN      3.60
         HB2    11 ASN  HN      4.20
         HB3    11 ASN  HN      4.40
         QG     11 ASN  HN      6.00
 11 ASN  
         HN     11 ASN  HB2     2.90
         HN     11 ASN  HB3     3.00
         HN     11 ASN  HD21    4.50
         HN     12 PRO  HD2     5.00
         HN     12 PRO  HD3     5.00
         HN     14 CYSS QB      6.00
         HA     11 ASN  HD21    4.80
         HA     11 ASN  HD22    5.00
         HA     12 PRO  HD2     3.00
         HA     12 PRO  HD3     3.30
         HA     13 CYSS HN      4.10
         HB2    11 ASN  HD21    3.20
         HB2    11 ASN  HD22    3.70
         HB2    12 PRO  HD2     5.00
         HB2    12 PRO  HD3     5.00
         HB2    13 CYSS HN      5.00
         HB3    11 ASN  HD22    4.10
         HB3    12 PRO  HD2     4.70
         HB3    13 CYSS HN      4.40
         OD1    13 CYSS N       3.50
         OD1    13 CYSS HN      2.50
         HD21   12 PRO  HD2     5.00
         HD21   13 CYSS HN      5.00
         HD21   28 GLY  HA1     5.00
         HD21   28 GLY  HA2     5.00
         HD21   29 GLU  HB2     5.00
         HD21   29 GLU  HG2     5.00
         HD21   29 GLU  HG3     5.00
         HD22   12 PRO  HD2     5.00
         HD22   13 CYSS HN      5.00
         HD22   13 CYSS HB2     4.90
         HD22   28 GLY  HA1     4.80
         HD22   28 GLY  HA2     4.60
         HD22   29 GLU  HA      4.80
         HD22   29 GLU  HB2     4.70
         HD22   29 GLU  HB3     5.00
         HD22   29 GLU  HG2     5.00
         HD22   29 GLU  HG3     5.00
 12 PRO  
         HA     14 CYSS HN      3.90
         HA     22 ARG  HE      5.00
         HB2    13 CYSS HN      4.20
         HB2    13 CYSS HA      5.00
         HB3    13 CYSS HN      4.70
         HG2    13 CYSS HN      5.00
         HG3    13 CYSS HN      5.00
         QG     13 CYSS HN      4.49
         HD2    13 CYSS HN      4.00
         HD3    13 CYSS HN      4.40
 13 CYSS 
         HN     13 CYSS HB2     3.10
         HN     13 CYSS HB3     4.00
         HN     14 CYSS HN      3.00
         HN     14 CYSS HA      5.00
         HN     14 CYSS QB      6.00
         HN     21 LEU  QD2     6.00
         HA     13 CYSS HB3     3.00
         HA     21 LEU  QD2     6.00
         HA     22 ARG  HN      4.60
         HA     22 ARG  QB      5.88
         HA     22 ARG  QD      5.88
         HA     22 ARG  HE      5.00
         HA     25 ALA  QB      5.00
         HA     36 CYSS HB2     4.80
         HA     36 CYSS HB3     5.00
         CB     36 CYSS SG      3.10
         HB2    14 CYSS HN      3.80
         HB2    21 LEU  QD2     5.00
         HB2    25 ALA  QB      5.40
         HB2    28 GLY  HN      5.00
         HB2    28 GLY  HA1     3.70
         HB2    28 GLY  HA2     3.60
         HB3    14 CYSS HN      4.00
         HB3    21 LEU  QD1     6.00
         HB3    21 LEU  QD2     4.60
         HB3    22 ARG  HN      5.00
         HB3    28 GLY  HN      5.50
         HB3    28 GLY  HA1     3.20
         HB3    28 GLY  HA2     3.70
         HB3    36 CYSS HA      4.00
         HB3    36 CYSS HB2     3.80
         SG     36 CYSS CB      3.10
         SG     36 CYSS SG      2.10
 14 CYSS 
         HN     15 ASP  HN      4.90
         HN     21 LEU  HA      4.70
         HN     21 LEU  QD2     6.00
         HA     15 ASP  HN      2.80
         HA     15 ASP  HB2     4.60
         HA     20 LYS  HN      5.00
         HA     20 LYS  HB3     5.50
         HA     21 LEU  HN      4.90
         HA     21 LEU  HA      3.80
         HA     21 LEU  HG      4.70
         HA     21 LEU  QD2     5.40
         HA     22 ARG  HN      3.10
         HA     22 ARG  QB      5.58
         HA     22 ARG  QG      5.10
         QB     15 ASP  HN      4.30
         QB     15 ASP  HA      6.00
         QB     16 ALA  HA      6.00
         QB     19 CYSS HN      6.00
         QB     19 CYSS HA      5.10
         QB     20 LYS  HN      6.00
         QB     20 LYS  HA      6.00
         QB     21 LEU  HA      5.50
         QB     21 LEU  QD2     7.00
         QB     22 ARG  HN      6.00
 15 ASP  
         N      20 LYS  O       3.50
         HN     15 ASP  HB2     3.00
         HN     15 ASP  HB3     3.00
         HN     18 THR  HN      5.00
         HN     19 CYSS HN      4.70
         HN     19 CYSS HA      5.00
         HN     20 LYS  HN      4.10
         HN     20 LYS  O       2.50
         HN     21 LEU  HA      4.30
         HN     22 ARG  HN      3.90
         HN     22 ARG  HA      4.80
         HN     22 ARG  HB2     5.00
         HN     22 ARG  HB3     5.00
         HA     15 ASP  HB2     3.00
         HA     16 ALA  HN      2.60
         HA     16 ALA  QB      5.00
         HA     17 ALA  HN      4.00
         HA     22 ARG  QB      5.88
         HA     22 ARG  HE      5.00
         HB2    17 ALA  HN      4.80
         HB2    18 THR  HN      4.30
         HB2    18 THR  QG2     6.00
         HB2    19 CYSS HN      5.00
         HB2    20 LYS  HN      5.00
         HB2    22 ARG  HN      5.00
         HB2    22 ARG  HA      4.30
         HB3    16 ALA  HN      4.30
         HB3    17 ALA  HN      4.40
         HB3    18 THR  HN      4.20
         HB3    18 THR  QG2     5.00
         OD1    17 ALA  N       3.50
         OD1    17 ALA  HN      2.50
         OD1    18 THR  N       4.00
         OD1    18 THR  HN      3.00
         O      19 CYSS N       3.50
         O      19 CYSS HN      2.50
 16 ALA  
         HN     16 ALA  QB      3.40
         HN     17 ALA  HN      3.20
         HN     18 THR  HN      4.80
         HA     18 THR  HN      4.90
         HA     19 CYSS HN      4.00
 17 ALA  
         HN     17 ALA  QB      3.40
         HN     18 THR  HN      2.90
         HN     18 THR  QG2     5.40
         QB     18 THR  HN      3.80
         QB     18 THR  HA      5.60
         QB     18 THR  QG2     4.70
 18 THR  
         HN     18 THR  HB      3.60
         HN     18 THR  QG2     3.90
         HN     19 CYSS HN      2.70
         HN     20 LYS  HN      3.90
         HA     18 THR  QG2     3.60
         HA     20 LYS  HN      4.60
         HB     19 CYSS HN      4.40
         HB     20 LYS  HN      3.70
         HB     20 LYS  HB3     3.80
         QG2    19 CYSS HN      5.20
         QG2    20 LYS  HN      5.70
 19 CYSS 
         HN     19 CYSS HA      2.70
         HN     19 CYSS HB3     4.10
         HN     20 LYS  HN      3.20
         HN     20 LYS  HA      5.00
         HN     20 LYS  HB2     5.20
         HA     19 CYSS HB2     3.00
         HA     20 LYS  HN      3.60
         HB2    20 LYS  HN      5.00
         HB3    20 LYS  HN      5.00
 20 LYS  
         HN     20 LYS  HB2     2.90
         HN     20 LYS  HB3     3.50
         HN     20 LYS  QG      4.80
         HN     20 LYS  QD      5.88
         HN     20 LYS  QE      5.90
         HN     21 LEU  HN      4.90
         HA     20 LYS  HB2     2.90
         HA     20 LYS  QD      4.38
         HA     21 LEU  HN      2.90
         HA     21 LEU  QD2     5.90
         HB3    20 LYS  QE      5.30
         HB3    21 LEU  HN      3.20
         QG     21 LEU  HN      5.80
         QE     21 LEU  HN      6.00
 21 LEU  
         HN     21 LEU  HB2     3.00
         HN     21 LEU  HB3     4.00
         HN     21 LEU  HG      2.60
         HN     21 LEU  QD1     4.40
         HN     21 LEU  QD2     4.50
         HN     22 ARG  HN      5.00
         HA     21 LEU  HG      3.00
         HA     21 LEU  QD1     4.90
         HA     21 LEU  QD2     3.40
         HA     22 ARG  HN      2.70
         HB3    25 ALA  HN      4.00
         QD1    25 ALA  HN      6.00
         QD1    26 GLN  HN      5.80
         QD1    26 GLN  HA      4.80
         QD1    27 CYSS HN      5.00
         QD1    27 CYSS HA      4.10
         QD1    27 CYSS HB2     5.90
         QD1    27 CYSS HB3     6.00
         QD1    28 GLY  HN      5.70
         QD2    22 ARG  HN      4.90
         QD2    25 ALA  HN      6.00
         QD2    26 GLN  HN      5.60
         QD2    26 GLN  HA      6.00
         QD2    27 CYSS HN      4.70
         QD2    27 CYSS HA      4.10
         QD2    27 CYSS HB2     5.60
         QD2    28 GLY  HN      4.30
         QD2    28 GLY  HA1     4.70
         QD2    28 GLY  HA2     4.80
         QD2    29 GLU  HN      6.30
         QD2    36 CYSS HB2     6.00
         QD2    36 CYSS HB3     6.00
 22 ARG  
         HN     22 ARG  HB2     3.70
         HN     22 ARG  HB3     3.70
         HN     22 ARG  QB      3.49
         HN     22 ARG  QG      4.60
         HN     23 PRO  HD2     5.00
         HA     22 ARG  HE      5.00
         HB2    22 ARG  HE      4.80
         HB2    23 PRO  HD3     3.90
         HB3    22 ARG  HE      4.80
         HB3    23 PRO  HD3     3.90
         QB     22 ARG  HE      4.42
         QB     23 PRO  HD2     4.08
         QB     23 PRO  HD3     3.55
         HE     23 PRO  HD3     5.00
 23 PRO  
         HA     24 GLY  HN      3.10
         HA     25 ALA  HN      4.80
         HB2    24 GLY  HN      3.90
         HB3    24 GLY  HN      3.70
         HG2    24 GLY  HN      5.00
         HG3    24 GLY  HN      5.00
 24 GLY  
         HN     24 GLY  HA2     2.90
         HN     25 ALA  HN      3.70
         HN     25 ALA  QB      6.00
 25 ALA  
         HN     25 ALA  QB      3.40
         HN     26 GLN  HN      5.00
         HA     26 GLN  HN      2.70
         HA     36 CYSS HB2     4.60
         HA     36 CYSS HB3     4.60
         HA     37 LYS  QE      6.00
         QB     26 GLN  HN      4.00
         QB     26 GLN  HA      5.90
         QB     36 CYSS HA      5.00
         QB     36 CYSS HB2     3.70
         QB     36 CYSS HB3     4.00
 26 GLN  
         N      36 CYSS O       3.50
         HN     26 GLN  HB2     3.20
         HN     26 GLN  HB3     3.60
         HN     26 GLN  HG2     4.40
         HN     26 GLN  HG3     4.40
         HN     26 GLN  QG      4.02
         HN     27 CYSS HN      2.80
         HN     36 CYSS HB2     4.30
         HN     36 CYSS HB3     5.00
         HN     36 CYSS O       2.50
         HN     37 LYS  HA      3.40
         HN     37 LYS  HB2     5.10
         HN     37 LYS  QG      5.68
         HA     26 GLN  HB3     2.90
         HA     26 GLN  HG2     3.50
         HA     26 GLN  HG3     3.50
         HA     26 GLN  QG      3.24
         HA     26 GLN  HE21    5.00
         HA     38 PHE  HD1     5.50
         HA     38 PHE  HE1     4.70
         HB2    26 GLN  HE21    5.00
         HB2    26 GLN  HE22    4.70
         HB2    27 CYSS HN      3.50
         HB2    37 LYS  HN      5.00
         HB2    37 LYS  HA      3.00
         HB2    38 PHE  HN      3.40
         HB2    38 PHE  HD1     5.20
         HB2    38 PHE  HE1     4.30
         HB3    26 GLN  HE21    5.00
         HB3    26 GLN  HE22    4.20
         HB3    27 CYSS HN      3.90
         HB3    37 LYS  HA      3.60
         HB3    38 PHE  HN      3.90
         HB3    38 PHE  HD1     4.70
         HB3    38 PHE  HE1     3.50
         HG2    26 GLN  HE22    4.10
         HG2    27 CYSS HN      5.50
         HG2    38 PHE  HN      5.00
         HG3    26 GLN  HE22    4.10
         HG3    27 CYSS HN      5.50
         HG3    38 PHE  HN      5.00
         QG     26 GLN  HE22    3.81
         QG     38 PHE  HD1     5.88
         QG     38 PHE  HE1     5.58
         HE21   38 PHE  HN      5.00
         HE21   38 PHE  HE1     4.70
 27 CYSS 
         HN     27 CYSS HB3     4.00
         HN     36 CYSS HN      5.50
         HN     36 CYSS HA      3.90
         HN     36 CYSS HB2     4.40
         HN     36 CYSS HB3     4.90
         HN     37 LYS  HA      3.90
         HN     37 LYS  QG      5.88
         HN     38 PHE  HN      4.80
         HN     38 PHE  HE1     5.00
         HA     27 CYSS HB2     2.90
         HA     27 CYSS HB3     2.80
         HA     28 GLY  HN      2.90
         HA     28 GLY  HA2     4.90
         HA     38 PHE  HE1     4.70
         HA     62 ALA  QB      5.30
         CB     33 CYSS SG      3.10
         HB2    28 GLY  HN      3.30
         HB2    29 GLU  HN      3.40
         HB2    33 CYSS HB2     3.70
         HB2    62 ALA  QB      3.40
         HB3    28 GLY  HN      4.10
         HB3    38 PHE  HE1     3.60
         SG     33 CYSS CB      3.10
         SG     33 CYSS SG      2.10
 28 GLY  
         HN     29 GLU  HN      2.80
         HN     29 GLU  HA      4.60
         HN     29 GLU  QG      5.88
         HN     62 ALA  QB      5.70
         HA2    29 GLU  HN      3.40
         HA2    29 GLU  QG      5.88
 29 GLU  
         HN     29 GLU  HB2     4.00
         HN     29 GLU  HB3     3.80
         HN     29 GLU  HG2     4.40
         HN     29 GLU  HG3     4.40
         HN     29 GLU  QG      4.02
         HN     30 GLY  HN      4.50
         HN     33 CYSS HB2     4.30
         HN     33 CYSS HB3     4.30
         HN     62 ALA  QB      5.60
         HA     29 GLU  HG2     4.10
         HA     29 GLU  HG3     4.10
         HA     30 GLY  HN      2.70
         HA     33 CYSS HB2     4.40
         HA     33 CYSS HB3     3.60
         HB2    30 GLY  HN      3.80
         HB3    30 GLY  HN      2.90
         HG2    30 GLY  HN      4.90
         HG3    30 GLY  HN      4.90
         QG     30 GLY  HN      4.62
 30 GLY  
         HN     31 LEU  HN      4.60
         HN     31 LEU  QQD     7.40
         HN     33 CYSS HN      5.00
         HA1    31 LEU  HN      3.30
         HA1    31 LEU  QQD     7.40
         HA1    32 CYSS HN      4.20
         HA2    32 CYSS HN      3.40
         HA2    33 CYSS HN      4.70
         HA2    62 ALA  QB      4.80
         O      33 CYSS N       3.50
         O      33 CYSS HN      2.50
 31 LEU  
         HN     31 LEU  HB2     3.80
         HN     31 LEU  QQD     6.80
         HN     32 CYSS HN      3.40
         HN     33 CYSS HN      4.70
         HA     31 LEU  HB3     2.80
         HA     33 CYSS HN      4.10
         HA     64 CYSS HB2     5.50
         HB2    32 CYSS HN      3.50
         HB2    32 CYSS HA      4.60
         HB2    45 CYSS HA      5.40
         HB2    64 CYSS HB2     3.30
         HB3    32 CYSS HN      4.30
         HB3    45 CYSS HA      5.00
         HB3    64 CYSS HB2     3.40
         HG     32 CYSS HN      5.30
         QQD    32 CYSS HN      7.40
         QQD    33 CYSS HN      7.10
         QQD    45 CYSS HA      7.40
         QQD    45 CYSS HB2     7.40
         QQD    45 CYSS HB3     6.70
         QQD    46 ARG  HN      7.40
         QQD    46 ARG  HA      7.40
         QQD    46 ARG  HD2     7.40
         QQD    46 ARG  HD3     7.40
         QQD    46 ARG  QH2     8.40
         QQD    64 CYSS HA      7.40
         QQD    64 CYSS HB2     6.20
         QQD    64 CYSS HB3     5.90
 32 CYSS 
         N      62 ALA  O       3.50
         HN     32 CYSS HB2     3.70
         HN     32 CYSS HB3     3.30
         HN     33 CYSS HN      3.20
         HN     33 CYSS HA      5.00
         HN     33 CYSS HB2     4.70
         HN     33 CYSS HB3     4.90
         HN     62 ALA  HA      4.40
         HN     62 ALA  O       2.50
         HN     64 CYSS HA      5.00
         HN     64 CYSS HB2     5.00
         HA     33 CYSS HN      3.30
         HA     39 SER  HN      4.20
         HA     39 SER  HB2     4.70
         HA     39 SER  HB3     4.10
         CB     57 CYSS SG      3.10
         HB2    33 CYSS HN      4.90
         HB3    33 CYSS HN      4.70
         HB3    39 SER  HN      4.90
         HB3    39 SER  HB3     4.80
         HB3    62 ALA  HA      3.40
         SG     57 CYSS CB      3.10
         SG     57 CYSS SG      2.10
         O      39 SER  N       3.50
         O      39 SER  HN      2.50
 33 CYSS 
         HN     33 CYSS HB2     3.20
         HN     33 CYSS HB3     3.10
         HN     34 GLU  HN      4.80
         HN     39 SER  HN      5.00
         HN     39 SER  HB3     5.00
         HN     62 ALA  HA      4.20
         HN     62 ALA  QB      5.20
         HA     34 GLU  HN      2.80
         HA     37 LYS  HN      4.30
         HA     38 PHE  HN      5.00
         HA     38 PHE  HA      3.80
         HA     39 SER  HN      3.60
         HA     62 ALA  QB      5.80
         HB2    34 GLU  HN      4.50
         HB2    62 ALA  QB      4.30
         HB3    34 GLU  HN      4.70
         HB3    62 ALA  QB      5.10
 34 GLU  
         N      37 LYS  O       3.50
         HN     34 GLU  HB2     3.40
         HN     34 GLU  HB3     3.80
         HN     34 GLU  HG2     4.60
         HN     34 GLU  HG3     4.60
         HN     35 GLN  HN      4.40
         HN     36 CYSS HN      4.50
         HN     37 LYS  HN      3.20
         HN     37 LYS  HB2     4.50
         HN     37 LYS  O       2.50
         HN     38 PHE  HN      5.00
         HN     38 PHE  HA      4.30
         HN     39 SER  HN      4.40
         HN     39 SER  HA      5.00
         HA     34 GLU  HB3     3.00
         HA     34 GLU  HG2     4.00
         HA     34 GLU  HG3     4.00
         HA     34 GLU  QG      3.75
         HA     35 GLN  HN      2.60
         HA     35 GLN  HA      4.50
         HA     36 CYSS HN      3.80
         HB2    35 GLN  HN      4.60
         HB2    37 LYS  HN      4.70
         HB3    35 GLN  HN      3.80
         HB3    37 LYS  HN      5.50
         QG     39 SER  HN      5.88
         O      37 LYS  N       3.50
         O      37 LYS  HN      2.50
 35 GLN  
         HN     35 GLN  HA      2.60
         HN     35 GLN  HB2     3.50
         HN     35 GLN  HB3     3.80
         HN     35 GLN  QG      5.00
         HN     36 CYSS HN      3.40
         HN     36 CYSS HA      5.00
         HN     37 LYS  HN      4.90
         HA     35 GLN  HB2     3.00
         HA     36 CYSS HN      3.00
         HA     37 LYS  HN      4.50
         HB2    35 GLN  HE21    5.00
         HB2    35 GLN  HE22    5.00
         HB2    36 CYSS HN      4.80
         HB2    37 LYS  HN      4.70
         HB3    35 GLN  HE21    5.00
         HB3    35 GLN  HE22    5.00
         HB3    36 CYSS HN      4.90
         HB3    37 LYS  HN      4.50
         QG     36 CYSS HN      6.00
         QG     37 LYS  HN      6.00
 36 CYSS 
         HN     36 CYSS HA      2.70
         HN     37 LYS  HN      3.30
         HN     37 LYS  QG      5.88
         HA     37 LYS  HN      3.50
         HB2    37 LYS  HN      5.00
         HB3    37 LYS  HN      4.80
         HB3    37 LYS  QG      5.88
 37 LYS  
         HN     37 LYS  HB2     3.00
         HN     37 LYS  HB3     4.00
         HN     37 LYS  HG2     4.50
         HN     37 LYS  HG3     4.50
         HN     37 LYS  QD      5.88
         HN     37 LYS  QE      6.00
         HN     38 PHE  HN      4.90
         HA     37 LYS  HB3     2.90
         HA     37 LYS  HG2     4.00
         HA     37 LYS  HG3     4.00
         HA     37 LYS  QD      5.88
         HA     37 LYS  QE      6.00
         HA     38 PHE  HN      2.80
         HA     38 PHE  HD1     5.50
         HB2    38 PHE  HN      4.00
         HB3    38 PHE  HN      3.20
         HG2    38 PHE  HN      4.90
         HG3    38 PHE  HN      4.90
         QG     38 PHE  HN      4.72
 38 PHE  
         HN     38 PHE  HB2     3.20
         HN     38 PHE  HB3     3.60
         HN     38 PHE  HD1     4.30
         HN     38 PHE  HE1     5.00
         HN     39 SER  HN      5.00
         HA     39 SER  HN      2.80
         HA     39 SER  HB3     4.90
         HB2    39 SER  HN      4.50
         HB2    61 SER  HN      5.50
         HB3    39 SER  HN      3.90
         HB3    61 SER  HN      5.00
         HZ     62 ALA  QB      4.00
         HE2    61 SER  HA      3.70
         HE2    61 SER  QB      5.78
         HE2    62 ALA  HN      4.00
         HE2    62 ALA  HA      4.70
         HE2    62 ALA  QB      4.70
         HE2    63 ASP  HN      5.50
         HD2    60 GLN  HA      4.30
         HD2    61 SER  HA      4.60
         HD2    61 SER  QB      5.48
         HD2    62 ALA  HN      4.70
         HD2    62 ALA  HA      4.00
 39 SER  
         HN     39 SER  HB2     3.30
         HN     39 SER  HB3     3.20
         HN     40 ARG  HN      4.90
         HA     39 SER  HB2     2.80
         HA     40 ARG  HN      2.70
         HA     40 ARG  HA      4.60
         HA     40 ARG  QB      5.10
         HB2    40 ARG  HN      3.30
         HB2    43 LYS  HB3     4.40
         HB2    43 LYS  QG      5.58
         HB3    40 ARG  HN      3.80
         HB3    43 LYS  HB3     4.80
         HB3    57 CYSS HB2     4.20
 40 ARG  
         HN     40 ARG  QB      3.60
         HN     40 ARG  QG      5.60
         HN     40 ARG  QD      6.00
         HN     43 LYS  HB3     4.70
         HN     43 LYS  QE      6.00
         HA     40 ARG  QD      6.00
         HA     41 ALA  HN      2.50
         HA     41 ALA  QB      5.00
         HA     59 GLY  QA      5.40
         QB     40 ARG  HE      5.80
         QB     41 ALA  HN      4.50
         QB     41 ALA  QB      6.50
         QB     43 LYS  HN      5.30
         QG     41 ALA  HN      5.80
         QD     41 ALA  HN      6.00
         O      43 LYS  N       3.50
         O      43 LYS  HN      2.50
 41 ALA  
         HN     41 ALA  QB      3.40
         HN     43 LYS  HN      5.00
         HA     42 GLY  HN      2.60
         HA     42 GLY  HA2     4.60
         HA     43 LYS  HN      3.90
         HA     57 CYSS HN      4.90
         HA     57 CYSS HB2     4.40
         HA     58 THR  HA      3.70
         HA     59 GLY  HN      3.80
         HA     59 GLY  QA      5.60
         QB     42 GLY  HA2     5.30
         QB     43 LYS  HN      6.00
         QB     58 THR  HA      4.40
         QB     59 GLY  QA      5.60
         QB     60 GLN  HN      6.00
 42 GLY  
         HN     43 LYS  HN      3.30
         HN     43 LYS  HB2     4.80
         HN     56 ARG  HB3     4.50
         HN     56 ARG  QG      5.88
         HN     56 ARG  QD      5.88
         HN     57 CYSS HN      4.40
         HN     57 CYSS HB2     4.80
         HN     57 CYSS HB3     5.00
         HA1    56 ARG  HG2     4.70
         HA1    56 ARG  HG3     4.70
         HA1    56 ARG  QG      4.05
         HA1    56 ARG  HD2     4.40
         HA1    56 ARG  HD3     4.40
         HA1    56 ARG  QD      3.92
         HA1    56 ARG  HE      5.00
         HA1    57 CYSS HN      4.90
         HA2    56 ARG  QD      4.78
 43 LYS  
         HN     43 LYS  HB2     3.00
         HN     43 LYS  HB3     2.90
         HN     43 LYS  QG      4.78
         HN     43 LYS  QD      6.00
         HN     43 LYS  QE      6.00
         HN     56 ARG  HA      5.00
         HN     57 CYSS HN      4.10
         HN     57 CYSS HB2     3.90
         HN     57 CYSS HB3     4.50
         HA     43 LYS  HB2     2.80
         HA     43 LYS  HB3     3.00
         HA     43 LYS  QG      3.89
         HA     43 LYS  QE      6.00
         HA     44 ILE  HN      2.70
         HB2    43 LYS  QE      4.80
         HB3    43 LYS  QE      5.00
         HB3    57 CYSS HB2     4.10
         HB3    57 CYSS HB3     4.30
         QG     44 ILE  HN      4.48
         QE     44 ILE  HN      6.00
         O      57 CYSS N       3.50
         O      57 CYSS HN      2.50
 44 ILE  
         HN     44 ILE  HB      2.80
         HN     44 ILE  QG2     4.40
         HN     44 ILE  HG12    4.40
         HN     44 ILE  HG13    4.40
         HN     44 ILE  QG1     3.88
         HN     44 ILE  QD1     4.50
         HN     45 CYSS HN      4.80
         HN     56 ARG  HA      5.00
         HN     57 CYSS HN      5.00
         HA     44 ILE  HG12    3.50
         HA     44 ILE  HG13    3.50
         HA     44 ILE  QD1     4.40
         HA     45 CYSS HN      2.70
         HA     46 ARG  HN      3.70
         HA     54 ASP  HB2     5.00
         HA     55 ASP  HN      5.00
         HA     56 ARG  HN      5.00
         HA     56 ARG  HA      3.50
         HA     56 ARG  HG2     3.80
         HA     56 ARG  HG3     3.80
         HA     56 ARG  QG      3.50
         HA     56 ARG  HE      5.00
         HA     57 CYSS HN      4.10
         HB     45 CYSS HN      4.40
         HB     46 ARG  HN      5.00
         QG2    45 CYSS HN      4.10
         QG2    45 CYSS HA      5.40
         QG2    45 CYSS HB2     6.50
         QG2    45 CYSS HB3     6.50
         QG2    46 ARG  HN      3.90
         QG2    46 ARG  HA      6.00
         QG2    47 ILE  HN      6.00
         QG2    47 ILE  HA      5.50
         QG2    47 ILE  QG1     5.18
         QG2    48 PRO  HD2     6.00
         QG2    48 PRO  HD3     6.00
         QG2    54 ASP  HA      5.90
         QG2    54 ASP  HB2     4.00
         QG2    54 ASP  HB3     4.90
         QG2    55 ASP  HN      5.20
         QG2    56 ARG  HA      5.90
         HG12   56 ARG  HE      5.00
         HG13   56 ARG  HE      5.00
         QG1    45 CYSS HN      5.58
         QG1    46 ARG  HN      5.88
         QG1    56 ARG  HA      5.88
         QD1    54 ASP  HB2     5.10
         QD1    54 ASP  HB3     5.00
         QD1    56 ARG  HA      6.00
         QD1    56 ARG  HB3     5.10
         QD1    56 ARG  QD      6.88
         QD1    56 ARG  HE      5.60
 45 CYSS 
         N      55 ASP  O       3.50
         HN     45 CYSS HB2     3.70
         HN     45 CYSS HB3     4.10
         HN     46 ARG  HN      2.90
         HN     46 ARG  HA      5.00
         HN     54 ASP  HB2     5.00
         HN     55 ASP  HN      5.00
         HN     55 ASP  O       2.50
         HN     56 ARG  HN      5.00
         HN     56 ARG  HA      3.20
         HN     56 ARG  HG2     5.30
         HN     56 ARG  HG3     5.30
         HN     56 ARG  QG      4.70
         HA     45 CYSS HB2     2.80
         HA     45 CYSS HB3     2.90
         HA     57 CYSS HN      5.00
         HA     64 CYSS HB2     5.00
         CB     64 CYSS SG      3.10
         HB2    46 ARG  HN      3.90
         HB2    57 CYSS HN      5.50
         HB2    64 CYSS HN      5.50
         HB2    64 CYSS HA      5.00
         HB3    46 ARG  HN      4.60
         HB3    57 CYSS HN      5.50
         HB3    64 CYSS HN      5.40
         HB3    64 CYSS HA      5.00
         HB3    64 CYSS HB2     4.00
         SG     64 CYSS CB      3.10
         SG     64 CYSS SG      2.10
 46 ARG  
         HN     46 ARG  HB2     3.70
         HN     46 ARG  HB3     3.70
         HN     46 ARG  HG2     5.00
         HN     46 ARG  HG3     5.00
         HN     47 ILE  HN      4.70
         HN     47 ILE  HA      5.00
         HN     47 ILE  QG1     5.88
         HN     47 ILE  QD1     6.00
         HN     54 ASP  HA      5.30
         HN     54 ASP  HB2     5.00
         HN     55 ASP  HN      3.70
         HN     55 ASP  HA      5.00
         HN     56 ARG  HA      4.30
         HA     46 ARG  QG      3.73
         HA     47 ILE  HN      2.60
         HA     47 ILE  HB      4.80
         HA     47 ILE  QD1     6.00
         HB2    46 ARG  HD2     4.20
         HB2    46 ARG  HD3     4.20
         HB2    46 ARG  HE      4.30
         HB2    46 ARG  QH2     6.00
         HB2    47 ILE  HN      4.60
         HB2    55 ASP  HN      5.20
         HB2    55 ASP  HB2     3.50
         HB2    55 ASP  HB3     4.10
         HB3    46 ARG  HD2     4.10
         HB3    46 ARG  HD3     4.10
         HB3    46 ARG  QD      3.90
         HB3    46 ARG  HE      4.30
         HB3    46 ARG  QH2     6.00
         HB3    47 ILE  HN      4.60
         HB3    55 ASP  HB2     3.20
         HB3    55 ASP  HB3     3.70
         HG2    46 ARG  HE      4.00
         HG2    46 ARG  QH2     6.00
         HG2    47 ILE  HN      3.80
         HG3    46 ARG  HE      4.00
         HG3    46 ARG  QH2     6.00
         HG3    47 ILE  HN      3.80
         QG     46 ARG  HE      3.65
         QG     47 ILE  HN      3.60
         QG     48 PRO  HA      5.68
         QG     55 ASP  HN      5.88
         QG     55 ASP  HB2     5.18
         HD2    47 ILE  HN      5.00
         HD3    47 ILE  HN      5.00
         QH2    55 ASP  HB2     6.00
         QH2    55 ASP  HB3     6.00
         QH2    64 CYSS HN      6.00
         QH2    64 CYSS HB2     6.00
         QH2    64 CYSS HB3     5.70
         QH2    66 ARG  QB      6.88
 47 ILE  
         HN     47 ILE  HB      3.00
         HN     47 ILE  QG2     4.70
         HN     47 ILE  HG12    3.90
         HN     47 ILE  HG13    3.90
         HN     47 ILE  QG1     3.65
         HN     47 ILE  QD1     5.30
         HN     48 PRO  HD3     5.00
         HA     47 ILE  HG12    3.70
         HA     47 ILE  HG13    3.70
         HA     48 PRO  HD2     3.20
         HA     48 PRO  HD3     3.20
         HA     54 ASP  HA      4.00
         HA     54 ASP  HB2     5.00
         HA     54 ASP  HB3     4.50
         HA     55 ASP  HN      4.70
         QG2    48 PRO  HA      6.00
         QG2    48 PRO  HB2     5.60
         QG2    48 PRO  HD2     4.90
         QG2    48 PRO  HD3     4.50
         QG2    49 ARG  HN      6.40
         QG2    49 ARG  HA      6.00
         QD1    48 PRO  HD2     6.00
         QD1    48 PRO  HD3     6.00
 48 PRO  
         HA     49 ARG  HN      2.80
         HA     55 ASP  HN      4.90
         HB2    49 ARG  HN      3.40
         HB2    52 MET  HN      4.00
         HB2    52 MET  QG      5.68
         HB2    54 ASP  HA      4.50
         HB3    49 ARG  HN      3.80
         HB3    52 MET  HN      5.00
         HB3    54 ASP  HN      5.00
         HB3    54 ASP  HA      5.00
         QG     54 ASP  HA      5.88
         HD2    54 ASP  HN      5.50
         HD2    54 ASP  HB2     4.70
         HD3    54 ASP  HN      5.50
         HD3    54 ASP  HA      3.80
         HD3    54 ASP  HB2     4.80
 49 ARG  
         HN     49 ARG  HG2     4.30
         HN     49 ARG  HG3     4.30
         HN     49 ARG  QG      4.11
         HN     49 ARG  QD      6.00
         HN     52 MET  HN      4.80
         HN     52 MET  QB      5.88
         HA     49 ARG  QG      3.91
         HA     50 GLY  HN      2.80
         HB2    49 ARG  HE      5.00
         HB3    49 ARG  HE      5.00
         HG2    50 GLY  HN      4.80
         HG3    50 GLY  HN      4.80
         QG     50 GLY  HA2     4.38
         QG     52 MET  HN      5.88
         QD     50 GLY  HN      6.00
 50 GLY  
         HN     50 GLY  HA2     2.80
         HN     51 ASP  HN      4.40
         HN     52 MET  HN      5.00
         HA1    51 ASP  HN      3.60
         HA1    52 MET  HN      4.50
         HA2    52 MET  HN      4.30
 51 ASP  
         HN     51 ASP  HB2     3.40
         HN     51 ASP  HB3     3.40
         HN     51 ASP  QB      3.18
         HN     52 MET  HN      3.20
         HN     52 MET  QB      5.38
         HN     52 MET  QG      5.88
         HA     51 ASP  HB2     3.00
         HA     51 ASP  HB3     3.00
         HA     52 MET  HN      3.10
         HB2    52 MET  HN      4.70
         HB3    52 MET  HN      4.70
         QB     52 MET  HN      4.52
 52 MET  
         HN     52 MET  HB2     3.50
         HN     52 MET  HB3     3.50
         HN     52 MET  QB      3.14
         HN     52 MET  HG2     4.00
         HN     52 MET  HG3     4.00
         HN     52 MET  QE      6.00
         HN     53 PRO  HD2     5.00
         HN     53 PRO  HD3     5.00
         HA     52 MET  QG      3.83
         HA     53 PRO  HD2     3.10
         HA     53 PRO  HD3     2.90
         QB     53 PRO  HD2     4.28
         QB     53 PRO  HD3     4.58
         HG2    53 PRO  HD2     4.20
         HG2    53 PRO  HD3     4.80
         HG3    53 PRO  HD2     4.20
         HG3    53 PRO  HD3     4.80
         QG     53 PRO  HD3     4.42
 53 PRO  
         HA     54 ASP  HN      2.70
         HB2    54 ASP  HN      3.50
         HB3    54 ASP  HN      3.60
         QG     54 ASP  HN      5.37
 54 ASP  
         HN     54 ASP  HB2     3.50
         HN     54 ASP  HB3     3.10
         HN     56 ARG  HE      5.00
         HA     55 ASP  HN      2.70
         HB2    55 ASP  HN      3.40
         HB2    56 ARG  HE      5.00
         HB3    56 ARG  HE      5.00
 55 ASP  
         HN     55 ASP  HB2     2.90
         HN     55 ASP  HB3     3.40
         HN     56 ARG  HA      5.50
         HA     55 ASP  HB3     3.00
         HA     56 ARG  HN      2.70
         HA     56 ARG  HB2     4.90
         HA     56 ARG  QD      5.88
         HA     67 TYR  HB2     3.90
         HB2    56 ARG  HN      4.90
         HB3    56 ARG  HN      3.90
 56 ARG  
         HN     56 ARG  HB2     3.40
         HN     56 ARG  HG2     4.70
         HN     56 ARG  HG3     4.70
         HN     56 ARG  QG      4.32
         HN     56 ARG  HD2     5.00
         HN     56 ARG  HD3     5.00
         HN     57 CYSS HN      4.80
         HN     65 PRO  QG      5.88
         HN     65 PRO  HD2     5.00
         HA     56 ARG  HB3     3.00
         HA     56 ARG  QG      3.91
         HA     56 ARG  HD2     5.00
         HA     56 ARG  HD3     5.00
         HA     56 ARG  HE      5.00
         HA     57 CYSS HN      2.80
         HB2    56 ARG  QD      3.91
         HB2    56 ARG  HE      4.50
         HB2    57 CYSS HN      3.90
         HB3    57 CYSS HN      3.20
         HG2    56 ARG  HE      3.90
         HG3    56 ARG  HE      3.90
         QG     57 CYSS HN      5.08
         QD     57 CYSS HN      5.88
 57 CYSS 
         HN     57 CYSS HB2     3.20
         HN     57 CYSS HB3     3.60
         HN     58 THR  HN      5.00
         HA     58 THR  HN      3.20
         HB2    58 THR  HN      4.60
         HB2    59 GLY  HN      4.50
         HB3    58 THR  HN      3.90
         HB3    59 GLY  HN      3.60
 58 THR  
         HN     58 THR  QG2     4.30
         HN     59 GLY  HN      3.60
         HN     59 GLY  QA      6.00
         HN     60 GLN  HN      5.00
         HN     61 SER  HN      5.00
         HN     61 SER  QB      5.88
         HN     65 PRO  HD2     5.00
         HN     65 PRO  HD3     5.00
         HA     58 THR  QG2     3.50
         HA     65 PRO  QG      4.88
         HB     59 GLY  HN      4.00
         HB     60 GLN  HN      3.70
         HB     60 GLN  HB2     4.20
         HB     60 GLN  HB3     4.40
         HB     61 SER  HN      4.80
         QG2    60 GLN  HN      5.60
         QG2    60 GLN  HB2     5.20
         QG2    61 SER  HN      6.00
         QG2    64 CYSS HA      6.00
         QG2    65 PRO  HG2     4.50
         QG2    65 PRO  HG3     4.50
         QG2    65 PRO  QG      3.89
         QG2    65 PRO  HD2     4.90
         QG2    65 PRO  HD3     5.10
 59 GLY  
         HN     60 GLN  HN      3.30
         HN     60 GLN  HB2     5.30
         HN     61 SER  HN      4.10
         QA     61 SER  HN      6.00
 60 GLN  
         HN     60 GLN  HB2     3.10
         HN     60 GLN  HB3     3.80
         HN     60 GLN  QG      4.80
         HN     61 SER  HN      2.90
         HN     61 SER  HA      4.70
         HN     61 SER  QB      5.68
         HA     61 SER  HN      3.60
         HB2    61 SER  HN      4.40
         HB3    60 GLN  HE22    5.00
         HB3    61 SER  HN      4.20
 61 SER  
         HN     61 SER  HB2     4.10
         HN     61 SER  HB3     4.10
         HN     61 SER  QB      3.81
         HN     62 ALA  HN      4.80
         HA     61 SER  QB      2.60
         HA     62 ALA  HN      2.60
         HA     62 ALA  QB      5.20
         QB     63 ASP  HN      4.98
 62 ALA  
         HN     62 ALA  QB      3.50
         HN     63 ASP  HN      3.10
         HN     63 ASP  QB      4.98
 63 ASP  
         HN     63 ASP  HB2     3.40
         HN     63 ASP  HB3     3.40
         HN     63 ASP  QB      3.13
         HN     64 CYSS HN      4.90
         HA     64 CYSS HN      2.70
         HA     64 CYSS HB2     5.80
         HA     64 CYSS HB3     5.20
         HB2    64 CYSS HN      3.80
         HB3    64 CYSS HN      3.80
 64 CYSS 
         HN     64 CYSS HB2     3.20
         HN     64 CYSS HB3     3.00
         HN     65 PRO  HD2     5.00
         HN     65 PRO  HD3     5.00
         HA     65 PRO  HG2     5.00
         HA     65 PRO  HG3     5.00
         HA     65 PRO  QG      4.77
         HA     65 PRO  HD2     3.10
         HA     65 PRO  HD3     3.30
         HB2    65 PRO  HD2     5.00
         HB2    65 PRO  HD3     5.00
 65 PRO  
         HA     66 ARG  QB      4.88
         HB2    66 ARG  HN      4.10
         HB3    66 ARG  HN      4.00
         HB3    67 TYR  HN      5.00
         HG2    66 ARG  HN      5.00
         HG3    66 ARG  HN      5.00
         QG     66 ARG  HN      4.77
         QG     67 TYR  HN      5.88
         HD3    66 ARG  HN      5.00
 66 ARG  
         HN     66 ARG  HB2     3.40
         HN     66 ARG  HB3     3.40
         HN     66 ARG  QB      3.18
         HN     66 ARG  QG      4.98
         HN     66 ARG  QD      6.00
         HN     67 TYR  HN      3.90
         HN     67 TYR  HB2     5.00
         HN     67 TYR  HB3     5.00
         HA     66 ARG  QG      3.91
         HA     66 ARG  HE      5.00
         HB2    66 ARG  HE      5.00
         HB2    67 TYR  HN      3.80
         HB3    66 ARG  HE      5.00
         HB3    67 TYR  HN      3.80
         QB     66 ARG  HE      4.63
         QD     67 TYR  HN      6.00
 67 TYR  
         HN     67 TYR  HB2     3.50
         HN     67 TYR  HB3     4.10
         HA     67 TYR  HD2     3.50
         HA     68 HIS  HN      3.30
         HB3    68 HIS  HN      3.90
         HD1    68 HIS  HN      4.80
         HD1    68 HIS  HA      4.80
         HD1    68 HIS  HB2     5.00
         HD1    68 HIS  HB3     5.00
 68 HIS  
         HN     68 HIS  HB2     4.00
         HN     68 HIS  HB3     4.00
         HN     68 HIS  QB      3.75
         HA     68 HIS  HB2     2.90
         HA     68 HIS  HB3     2.90
         HA     68 HIS  HE1     5.00
  4 CYSS 
         CB     19 CYSS SG      2.90
         SG     19 CYSS CB      2.90
         SG     19 CYSS SG      1.90
  5 ASP  
         OD1    21 LEU  N       2.50
         OD1    21 LEU  HN      1.50
  6 CYSS 
         CB     14 CYSS SG      2.90
         SG     14 CYSS CB      2.90
         SG     14 CYSS SG      1.90
 13 CYSS 
         CB     36 CYSS SG      2.90
         SG     36 CYSS CB      2.90
         SG     36 CYSS SG      1.90
 15 ASP  
         N      20 LYS  O       2.50
         HN     20 LYS  O       1.50
         OD1    17 ALA  N       2.50
         OD1    17 ALA  HN      1.50
         OD1    18 THR  N       2.50
         OD1    18 THR  HN      1.50
         O      19 CYSS N       2.50
         O      19 CYSS HN      1.50
 27 CYSS 
         CB     33 CYSS SG      2.90
         SG     33 CYSS CB      2.90
         SG     33 CYSS SG      1.90
 30 GLY  
         O      33 CYSS N       2.50
         O      33 CYSS HN      1.50
 32 CYSS 
         N      62 ALA  O       2.50
         HN     62 ALA  O       1.50
         CB     57 CYSS SG      2.90
         SG     57 CYSS CB      2.90
         SG     57 CYSS SG      1.90
         O      39 SER  N       2.50
         O      39 SER  HN      1.50
 34 GLU  
         N      37 LYS  O       2.50
         HN     37 LYS  O       1.50
         O      37 LYS  N       2.50
         O      37 LYS  HN      1.50
 43 LYS  
         O      57 CYSS N       2.50
         O      57 CYSS HN      1.50
 45 CYSS 
         N      55 ASP  O       2.50
         HN     55 ASP  O       1.50
         CB     64 CYSS SG      2.90
         SG     64 CYSS CB      2.90
         SG     64 CYSS SG      1.90


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -21.287  -1.937   0.173
    2   2H    GLY   1          2H        GLY   1 -20.804  -0.374  -0.084
    3   3H    GLY   1          3H        GLY   1 -19.961  -1.340   0.965
    4   1HA   GLY   1          1HA       GLY   1 -22.779  -0.804   1.424
    5   2HA   GLY   1          2HA       GLY   1 -21.552  -1.290   2.577
    6    H    LYS   2           H        LYS   2 -21.990   0.485   4.003
    7    HA   LYS   2           HA       LYS   2 -21.621   3.143   2.845
    8   1HB   LYS   2          1HB       LYS   2 -22.878   2.250   5.456
    9   2HB   LYS   2          2HB       LYS   2 -22.687   3.921   4.961
   10   1HG   LYS   2          1HG       LYS   2 -24.159   3.639   3.068
   11   2HG   LYS   2          2HG       LYS   2 -24.112   1.891   3.191
   12   1HD   LYS   2          1HD       LYS   2 -25.371   1.932   5.288
   13   2HD   LYS   2          2HD       LYS   2 -25.248   3.676   5.390
   14   1HE   LYS   2          1HE       LYS   2 -27.466   3.147   4.552
   15   2HE   LYS   2          2HE       LYS   2 -26.557   3.852   3.229
   16   1HZ   LYS   2          1HZ       LYS   2 -26.198   1.684   2.306
   17   2HZ   LYS   2          2HZ       LYS   2 -26.771   0.919   3.624
   18    H    GLU   3           H        GLU   3 -19.630   0.840   3.866
   19    HA   GLU   3           HA       GLU   3 -17.771   2.825   4.746
   20   1HB   GLU   3          1HB       GLU   3 -18.827   2.022   6.879
   21   2HB   GLU   3          2HB       GLU   3 -18.322   0.388   6.498
   22   1HG   GLU   3          1HG       GLU   3 -15.948   1.062   6.537
   23   2HG   GLU   3          2HG       GLU   3 -16.393   2.741   6.765
   24    H    CYS   4           H        CYS   4 -15.605   2.260   4.203
   25    HA   CYS   4           HA       CYS   4 -15.498  -0.189   2.596
   26   1HB   CYS   4          1HB       CYS   4 -14.287   2.497   1.913
   27   2HB   CYS   4          2HB       CYS   4 -14.117   1.026   0.978
   28    H    ASP   5           H        ASP   5 -13.509  -1.368   2.734
   29    HA   ASP   5           HA       ASP   5 -11.594  -0.334   4.627
   30   1HB   ASP   5          1HB       ASP   5 -12.128  -2.975   3.289
   31   2HB   ASP   5          2HB       ASP   5 -10.472  -2.648   3.758
   32    H    CYS   6           H        CYS   6 -12.305  -0.428   1.233
   33    HA   CYS   6           HA       CYS   6  -9.510   0.197   0.611
   34   1HB   CYS   6          1HB       CYS   6 -11.590  -0.755  -1.357
   35   2HB   CYS   6          2HB       CYS   6  -9.867  -0.567  -1.621
   36    H    SER   7           H        SER   7  -9.360   1.860  -1.275
   37    HA   SER   7           HA       SER   7 -11.394   3.870  -0.890
   38   1HB   SER   7          1HB       SER   7  -8.893   4.055  -2.617
   39   2HB   SER   7          2HB       SER   7  -9.867   5.383  -2.019
   40    HG   SER   7           HG       SER   7  -9.217   4.827   0.157
   41    H    SER   8           H        SER   8 -10.340   1.394  -3.156
   42    HA   SER   8           HA       SER   8 -11.909   2.664  -5.256
   43   1HB   SER   8          1HB       SER   8  -9.883   0.438  -5.669
   44   2HB   SER   8          2HB       SER   8 -10.530   1.542  -6.866
   45    HG   SER   8           HG       SER   8  -8.801   2.262  -4.653
   46    HA   PRO   9           HA       PRO   9 -14.495  -0.931  -5.128
   47   1HB   PRO   9          1HB       PRO   9 -15.916  -0.486  -7.420
   48   2HB   PRO   9          2HB       PRO   9 -16.350   0.213  -5.873
   49   1HG   PRO   9          1HG       PRO   9 -15.080   1.515  -8.203
   50   2HG   PRO   9          2HG       PRO   9 -15.896   2.257  -6.841
   51   1HD   PRO   9          1HD       PRO   9 -13.064   2.101  -7.265
   52   2HD   PRO   9          2HD       PRO   9 -13.878   2.739  -5.850
   53    H    GLU  10           H        GLU  10 -12.266  -0.089  -7.557
   54    HA   GLU  10           HA       GLU  10 -12.535  -2.572  -8.913
   55   1HB   GLU  10          1HB       GLU  10 -10.666  -0.208  -9.068
   56   2HB   GLU  10          2HB       GLU  10 -10.189  -1.706  -9.842
   57   1HG   GLU  10          1HG       GLU  10 -11.385  -0.308 -11.464
   58   2HG   GLU  10          2HG       GLU  10 -12.344  -1.733 -11.116
   59    H    ASN  11           H        ASN  11 -11.227  -1.623  -5.919
   60    HA   ASN  11           HA       ASN  11  -8.786  -2.903  -5.924
   61   1HB   ASN  11          1HB       ASN  11  -9.680  -1.278  -4.169
   62   2HB   ASN  11          2HB       ASN  11 -10.703  -2.562  -3.557
   63   1HD2  ASN  11          1HD2      ASN  11  -7.627  -1.135  -3.556
   64   2HD2  ASN  11          2HD2      ASN  11  -6.778  -2.270  -2.559
   65    HA   PRO  12           HA       PRO  12 -10.229  -7.030  -5.890
   66   1HB   PRO  12          1HB       PRO  12  -7.859  -8.337  -5.512
   67   2HB   PRO  12          2HB       PRO  12  -8.386  -7.740  -7.073
   68   1HG   PRO  12          1HG       PRO  12  -6.327  -6.631  -5.264
   69   2HG   PRO  12          2HG       PRO  12  -6.571  -6.320  -6.971
   70   1HD   PRO  12          1HD       PRO  12  -7.283  -4.595  -4.794
   71   2HD   PRO  12          2HD       PRO  12  -7.630  -4.338  -6.492
   72    H    CYS  13           H        CYS  13  -8.455  -5.751  -3.222
   73    HA   CYS  13           HA       CYS  13  -8.750  -7.978  -1.559
   74   1HB   CYS  13          1HB       CYS  13  -8.518  -5.100  -0.674
   75   2HB   CYS  13          2HB       CYS  13  -8.084  -6.535   0.234
   76    H    CYS  14           H        CYS  14 -10.804  -5.186  -2.426
   77    HA   CYS  14           HA       CYS  14 -12.757  -6.001  -0.428
   78   1HB   CYS  14          1HB       CYS  14 -12.485  -3.533  -2.142
   79   2HB   CYS  14          2HB       CYS  14 -13.938  -3.890  -1.230
   80    H    ASP  15           H        ASP  15 -14.840  -6.844  -1.085
   81    HA   ASP  15           HA       ASP  15 -15.324  -7.253  -3.846
   82   1HB   ASP  15          1HB       ASP  15 -16.332  -8.540  -1.845
   83   2HB   ASP  15          2HB       ASP  15 -17.367  -7.150  -1.586
   84    H    ALA  16           H        ALA  16 -17.024  -6.078  -5.098
   85    HA   ALA  16           HA       ALA  16 -16.818  -3.287  -4.695
   86   1HB   ALA  16          1HB       ALA  16 -18.551  -4.947  -6.571
   87   2HB   ALA  16          2HB       ALA  16 -18.265  -3.195  -6.708
   88   3HB   ALA  16          3HB       ALA  16 -16.915  -4.337  -6.917
   89    H    ALA  17           H        ALA  17 -19.221  -5.797  -3.890
   90    HA   ALA  17           HA       ALA  17 -21.379  -3.975  -3.616
   91   1HB   ALA  17          1HB       ALA  17 -21.654  -6.365  -4.177
   92   2HB   ALA  17          2HB       ALA  17 -20.991  -6.815  -2.588
   93   3HB   ALA  17          3HB       ALA  17 -22.541  -5.946  -2.692
   94    H    THR  18           H        THR  18 -19.149  -5.664  -1.314
   95    HA   THR  18           HA       THR  18 -20.347  -4.324   0.935
   96    HB   THR  18           HB       THR  18 -18.651  -5.644   2.179
   97    HG1  THR  18           HG1      THR  18 -16.980  -6.624   0.920
   98   1HG2  THR  18          1HG2      THR  18 -20.680  -6.856   1.008
   99   2HG2  THR  18          2HG2      THR  18 -19.459  -7.424  -0.155
  100   3HG2  THR  18          3HG2      THR  18 -19.315  -7.853   1.567
  101    H    CYS  19           H        CYS  19 -17.664  -3.768  -1.302
  102    HA   CYS  19           HA       CYS  19 -16.161  -2.166  -1.428
  103   1HB   CYS  19          1HB       CYS  19 -18.187  -0.746  -0.577
  104   2HB   CYS  19          2HB       CYS  19 -17.280  -0.671   0.920
  105    H    LYS  20           H        LYS  20 -16.043  -4.602   0.413
  106    HA   LYS  20           HA       LYS  20 -14.277  -3.603   2.504
  107   1HB   LYS  20          1HB       LYS  20 -16.929  -3.748   3.045
  108   2HB   LYS  20          2HB       LYS  20 -16.457  -5.390   3.439
  109   1HG   LYS  20          1HG       LYS  20 -14.915  -4.686   5.112
  110   2HG   LYS  20          2HG       LYS  20 -14.805  -3.060   4.466
  111   1HD   LYS  20          1HD       LYS  20 -16.157  -3.060   6.528
  112   2HD   LYS  20          2HD       LYS  20 -17.152  -2.605   5.160
  113   1HE   LYS  20          1HE       LYS  20 -18.137  -4.836   5.030
  114   2HE   LYS  20          2HE       LYS  20 -16.991  -5.472   6.194
  115   1HZ   LYS  20          1HZ       LYS  20 -19.143  -4.942   7.224
  116   2HZ   LYS  20          2HZ       LYS  20 -17.970  -4.025   7.884
  117    H    LEU  21           H        LEU  21 -13.174  -5.439   3.668
  118    HA   LEU  21           HA       LEU  21 -11.942  -6.859   1.624
  119   1HB   LEU  21          1HB       LEU  21 -11.798  -7.309   4.608
  120   2HB   LEU  21          2HB       LEU  21 -10.659  -7.911   3.419
  121    HG   LEU  21           HG       LEU  21 -11.173  -4.954   3.720
  122   1HD1  LEU  21          1HD1      LEU  21  -9.187  -6.606   5.305
  123   2HD1  LEU  21          2HD1      LEU  21  -9.258  -4.828   5.255
  124   3HD1  LEU  21          3HD1      LEU  21 -10.612  -5.753   5.948
  125   1HD2  LEU  21          1HD2      LEU  21  -8.941  -4.743   2.764
  126   2HD2  LEU  21          2HD2      LEU  21  -8.775  -6.514   2.720
  127   3HD2  LEU  21          3HD2      LEU  21  -9.996  -5.710   1.705
  128    H    ARG  22           H        ARG  22 -12.572  -8.670   0.539
  129    HA   ARG  22           HA       ARG  22 -14.414 -10.473   1.668
  130   1HB   ARG  22          1HB       ARG  22 -12.395 -11.008  -0.565
  131   2HB   ARG  22          2HB       ARG  22 -13.882 -11.886  -0.274
  132   1HG   ARG  22          1HG       ARG  22 -15.099 -10.370  -1.448
  133   2HG   ARG  22          2HG       ARG  22 -14.462  -9.039  -0.501
  134   1HD   ARG  22          1HD       ARG  22 -13.923  -8.887  -2.974
  135   2HD   ARG  22          2HD       ARG  22 -12.512  -8.828  -1.938
  136    HE   ARG  22           HE       ARG  22 -11.803 -10.882  -2.814
  137   1HH1  ARG  22          2HH2      ARG  22 -15.183 -10.337  -3.723
  138   2HH1  ARG  22          1HH2      ARG  22 -15.289 -11.775  -4.682
  139   1HH2  ARG  22          1HH1      ARG  22 -13.356 -13.176  -4.911
  140    HA   PRO  23           HA       PRO  23 -10.691 -13.240   1.738
  141   1HB   PRO  23          1HB       PRO  23  -8.118 -12.351   1.494
  142   2HB   PRO  23          2HB       PRO  23  -9.118 -12.780   0.121
  143   1HG   PRO  23          1HG       PRO  23  -8.355 -10.094   1.091
  144   2HG   PRO  23          2HG       PRO  23  -8.976 -10.558  -0.481
  145   1HD   PRO  23          1HD       PRO  23 -10.433  -9.273   1.630
  146   2HD   PRO  23          2HD       PRO  23 -11.082  -9.842   0.104
  147    H    GLY  24           H        GLY  24  -8.704 -14.108   3.103
  148   1HA   GLY  24          1HA       GLY  24  -8.994 -13.190   5.793
  149   2HA   GLY  24          2HA       GLY  24  -7.806 -14.316   5.168
  150    H    ALA  25           H        ALA  25  -8.636 -10.767   5.025
  151    HA   ALA  25           HA       ALA  25  -5.766 -10.296   4.579
  152   1HB   ALA  25          1HB       ALA  25  -8.248  -9.216   3.243
  153   2HB   ALA  25          2HB       ALA  25  -6.767  -8.230   3.298
  154   3HB   ALA  25          3HB       ALA  25  -6.744  -9.826   2.510
  155    H    GLN  26           H        GLN  26  -5.174  -7.916   5.127
  156    HA   GLN  26           HA       GLN  26  -6.485  -7.325   7.655
  157   1HB   GLN  26          1HB       GLN  26  -3.734  -6.528   6.604
  158   2HB   GLN  26          2HB       GLN  26  -4.382  -6.025   8.152
  159   1HG   GLN  26          1HG       GLN  26  -4.556  -8.382   8.888
  160   2HG   GLN  26          2HG       GLN  26  -4.027  -8.942   7.314
  161   1HE2  GLN  26          1HE2      GLN  26  -3.125  -7.750  10.382
  162   2HE2  GLN  26          2HE2      GLN  26  -1.405  -7.728  10.183
  163    H    CYS  27           H        CYS  27  -5.208  -5.811   4.622
  164    HA   CYS  27           HA       CYS  27  -7.012  -3.575   5.113
  165   1HB   CYS  27          1HB       CYS  27  -5.204  -2.003   4.395
  166   2HB   CYS  27          2HB       CYS  27  -5.011  -2.706   5.988
  167    H    GLY  28           H        GLY  28  -6.995  -2.142   2.967
  168   1HA   GLY  28          1HA       GLY  28  -6.937  -4.011   0.676
  169   2HA   GLY  28          2HA       GLY  28  -8.065  -2.684   0.873
  170    H    GLU  29           H        GLU  29  -6.235  -0.660   1.845
  171    HA   GLU  29           HA       GLU  29  -4.414  -0.399  -0.392
  172   1HB   GLU  29          1HB       GLU  29  -6.691   1.512   0.254
  173   2HB   GLU  29          2HB       GLU  29  -5.305   2.003  -0.698
  174   1HG   GLU  29          1HG       GLU  29  -5.805  -0.083  -2.182
  175   2HG   GLU  29          2HG       GLU  29  -7.352  -0.150  -1.360
  176    H    GLY  30           H        GLY  30  -2.972   1.643  -0.082
  177   1HA   GLY  30          1HA       GLY  30  -2.209   3.069   1.879
  178   2HA   GLY  30          2HA       GLY  30  -2.199   1.557   2.766
  179    H    LEU  31           H        LEU  31   0.100   3.325   2.177
  180    HA   LEU  31           HA       LEU  31   1.460   2.336  -0.104
  181   1HB   LEU  31          1HB       LEU  31   2.395   4.001   2.238
  182   2HB   LEU  31          2HB       LEU  31   3.342   3.678   0.799
  183    HG   LEU  31           HG       LEU  31   0.652   5.065   0.739
  184   1HD1  LEU  31          1HD1      LEU  31   2.171   6.394   2.095
  185   2HD1  LEU  31          2HD1      LEU  31   3.415   6.309   0.825
  186   3HD1  LEU  31          3HD1      LEU  31   1.891   7.177   0.522
  187   1HD2  LEU  31          1HD2      LEU  31   1.162   4.131  -1.387
  188   2HD2  LEU  31          2HD2      LEU  31   1.518   5.873  -1.483
  189   3HD2  LEU  31          3HD2      LEU  31   2.846   4.701  -1.311
  190    H    CYS  32           H        CYS  32   1.113   1.305   3.231
  191    HA   CYS  32           HA       CYS  32   3.438  -0.439   2.911
  192   1HB   CYS  32          1HB       CYS  32   3.381   1.111   4.869
  193   2HB   CYS  32          2HB       CYS  32   1.958   0.270   5.451
  194    H    CYS  33           H        CYS  33   0.304  -0.443   2.093
  195    HA   CYS  33           HA       CYS  33  -0.409  -2.952   3.368
  196   1HB   CYS  33          1HB       CYS  33  -2.049  -1.098   3.261
  197   2HB   CYS  33          2HB       CYS  33  -2.021  -1.190   1.510
  198    H    GLU  34           H        GLU  34   0.768  -4.600   2.359
  199    HA   GLU  34           HA       GLU  34   0.495  -4.681  -0.545
  200   1HB   GLU  34          1HB       GLU  34   2.818  -5.801   1.081
  201   2HB   GLU  34          2HB       GLU  34   2.685  -5.789  -0.666
  202   1HG   GLU  34          1HG       GLU  34   2.846  -3.325   1.134
  203   2HG   GLU  34          2HG       GLU  34   4.131  -3.935   0.111
  204    H    GLN  35           H        GLN  35  -0.182  -6.648  -1.469
  205    HA   GLN  35           HA       GLN  35  -1.305  -8.505  -1.536
  206   1HB   GLN  35          1HB       GLN  35   0.981  -9.185  -0.223
  207   2HB   GLN  35          2HB       GLN  35  -0.188  -9.645   0.998
  208   1HG   GLN  35          1HG       GLN  35  -0.454 -10.519  -1.911
  209   2HG   GLN  35          2HG       GLN  35   0.457 -11.451  -0.738
  210   1HE2  GLN  35          1HE2      GLN  35  -2.642 -10.487  -1.878
  211   2HE2  GLN  35          2HE2      GLN  35  -3.629 -11.461  -0.840
  212    H    CYS  36           H        CYS  36  -2.449  -6.227  -0.120
  213    HA   CYS  36           HA       CYS  36  -4.238  -5.721   1.043
  214   1HB   CYS  36          1HB       CYS  36  -4.909  -8.663   1.182
  215   2HB   CYS  36          2HB       CYS  36  -6.006  -7.308   1.365
  216    H    LYS  37           H        LYS  37  -1.588  -6.470   2.299
  217    HA   LYS  37           HA       LYS  37  -2.547  -7.082   4.985
  218   1HB   LYS  37          1HB       LYS  37  -0.534  -8.700   3.419
  219   2HB   LYS  37          2HB       LYS  37  -0.533  -8.677   5.171
  220   1HG   LYS  37          1HG       LYS  37  -2.775  -9.576   5.287
  221   2HG   LYS  37          2HG       LYS  37  -3.059  -9.288   3.582
  222   1HD   LYS  37          1HD       LYS  37  -1.188 -10.938   3.062
  223   2HD   LYS  37          2HD       LYS  37  -1.095 -11.300   4.773
  224   1HE   LYS  37          1HE       LYS  37  -3.351 -12.181   4.811
  225   2HE   LYS  37          2HE       LYS  37  -3.710 -11.531   3.225
  226   1HZ   LYS  37          1HZ       LYS  37  -3.174 -13.916   3.142
  227   2HZ   LYS  37          2HZ       LYS  37  -2.089 -13.069   2.272
  228    H    PHE  38           H        PHE  38  -0.763  -6.656   6.640
  229    HA   PHE  38           HA       PHE  38   0.465  -4.160   5.962
  230   1HB   PHE  38          1HB       PHE  38   0.240  -6.032   8.371
  231   2HB   PHE  38          2HB       PHE  38   1.338  -4.669   8.446
  232    HD1  PHE  38           HD1      PHE  38  -2.171  -5.178   7.246
  233    HD2  PHE  38           HD2      PHE  38   0.493  -2.902   9.641
  234    HE1  PHE  38           HE1      PHE  38  -4.069  -3.688   7.940
  235    HE2  PHE  38           HE2      PHE  38  -1.404  -1.411  10.334
  236    HZ   PHE  38           HZ       PHE  38  -3.662  -1.822   9.476
  237    H    SER  39           H        SER  39   2.401  -4.014   4.933
  238    HA   SER  39           HA       SER  39   3.946  -6.276   4.500
  239   1HB   SER  39          1HB       SER  39   4.240  -4.698   2.830
  240   2HB   SER  39          2HB       SER  39   4.176  -3.344   3.942
  241    HG   SER  39           HG       SER  39   6.327  -3.708   4.559
  242    H    ARG  40           H        ARG  40   6.412  -6.361   5.035
  243    HA   ARG  40           HA       ARG  40   6.509  -6.419   7.841
  244   1HB   ARG  40          1HB       ARG  40   8.724  -7.433   7.525
  245   2HB   ARG  40          2HB       ARG  40   7.623  -8.105   6.339
  246   1HG   ARG  40          1HG       ARG  40   8.476  -6.491   4.628
  247   2HG   ARG  40          2HG       ARG  40   9.572  -5.810   5.814
  248   1HD   ARG  40          1HD       ARG  40   9.605  -8.767   5.055
  249   2HD   ARG  40          2HD       ARG  40  10.582  -7.569   4.230
  250    HE   ARG  40           HE       ARG  40  11.039  -8.643   6.907
  251   1HH1  ARG  40          2HH2      ARG  40  11.626  -5.852   4.805
  252   2HH1  ARG  40          1HH2      ARG  40  13.015  -5.319   5.692
  253   1HH2  ARG  40          1HH1      ARG  40  13.742  -6.575   7.599
  254    H    ALA  41           H        ALA  41   8.334  -5.419   9.157
  255    HA   ALA  41           HA       ALA  41   8.491  -2.647   8.639
  256   1HB   ALA  41          1HB       ALA  41  10.105  -4.346  10.583
  257   2HB   ALA  41          2HB       ALA  41   9.791  -2.597  10.690
  258   3HB   ALA  41          3HB       ALA  41   8.455  -3.755  10.895
  259    H    GLY  42           H        GLY  42   9.975  -1.480   7.485
  260   1HA   GLY  42          1HA       GLY  42  12.264  -0.940   7.220
  261   2HA   GLY  42          2HA       GLY  42  12.668  -2.646   7.219
  262    H    LYS  43           H        LYS  43  10.035  -2.969   5.456
  263    HA   LYS  43           HA       LYS  43  11.438  -3.008   2.999
  264   1HB   LYS  43          1HB       LYS  43   9.675  -4.628   3.651
  265   2HB   LYS  43          2HB       LYS  43   8.477  -3.353   3.560
  266   1HG   LYS  43          1HG       LYS  43   8.867  -3.038   1.177
  267   2HG   LYS  43          2HG       LYS  43  10.283  -4.070   1.209
  268   1HD   LYS  43          1HD       LYS  43   7.622  -5.204   2.102
  269   2HD   LYS  43          2HD       LYS  43   7.935  -5.023   0.388
  270   1HE   LYS  43          1HE       LYS  43   9.982  -6.385   2.171
  271   2HE   LYS  43          2HE       LYS  43   8.594  -7.280   1.584
  272   1HZ   LYS  43          1HZ       LYS  43   9.256  -6.696  -0.694
  273   2HZ   LYS  43          2HZ       LYS  43  10.542  -5.857  -0.153
  274    H    ILE  44           H        ILE  44  11.193  -1.693   1.141
  275    HA   ILE  44           HA       ILE  44  10.857   1.036   1.843
  276    HB   ILE  44           HB       ILE  44  11.327  -0.275  -0.838
  277   1HG1  ILE  44          1HG1      ILE  44  13.119  -0.943   0.532
  278   2HG1  ILE  44          2HG1      ILE  44  13.720   0.432  -0.375
  279   1HG2  ILE  44          1HG2      ILE  44  11.538   2.599   0.082
  280   2HG2  ILE  44          2HG2      ILE  44  12.307   1.980  -1.400
  281   3HG2  ILE  44          3HG2      ILE  44  10.536   1.930  -1.229
  282   1HD1  ILE  44          1HD1      ILE  44  12.861   0.331   2.536
  283   2HD1  ILE  44          2HD1      ILE  44  14.413   0.868   1.854
  284   3HD1  ILE  44          3HD1      ILE  44  12.961   1.878   1.660
  285    H    CYS  45           H        CYS  45   9.001   2.173   1.914
  286    HA   CYS  45           HA       CYS  45   6.689   1.009   0.599
  287   1HB   CYS  45          1HB       CYS  45   5.386   2.599   1.927
  288   2HB   CYS  45          2HB       CYS  45   6.389   1.555   2.914
  289    H    ARG  46           H        ARG  46   9.004   3.692   0.483
  290    HA   ARG  46           HA       ARG  46   7.619   4.667  -1.862
  291   1HB   ARG  46          1HB       ARG  46   7.146   6.041   0.341
  292   2HB   ARG  46          2HB       ARG  46   8.789   6.623   0.155
  293   1HG   ARG  46          1HG       ARG  46   8.228   7.401  -2.174
  294   2HG   ARG  46          2HG       ARG  46   6.577   6.862  -1.942
  295   1HD   ARG  46          1HD       ARG  46   7.842   8.803   0.027
  296   2HD   ARG  46          2HD       ARG  46   7.171   9.387  -1.482
  297    HE   ARG  46           HE       ARG  46   4.977   8.466  -0.797
  298   1HH1  ARG  46          2HH2      ARG  46   7.341   7.865   1.721
  299   2HH1  ARG  46          1HH2      ARG  46   6.291   8.314   3.023
  300   1HH2  ARG  46          1HH1      ARG  46   4.017   8.905   2.530
  301    H    ILE  47           H        ILE  47   9.052   5.299  -3.526
  302    HA   ILE  47           HA       ILE  47  11.879   5.017  -2.979
  303    HB   ILE  47           HB       ILE  47  10.324   5.550  -5.513
  304   1HG1  ILE  47          1HG1      ILE  47  11.620   3.089  -5.684
  305   2HG1  ILE  47          2HG1      ILE  47  11.024   3.126  -4.036
  306   1HG2  ILE  47          1HG2      ILE  47  12.367   5.229  -6.732
  307   2HG2  ILE  47          2HG2      ILE  47  12.617   6.526  -5.539
  308   3HG2  ILE  47          3HG2      ILE  47  13.269   4.899  -5.234
  309   1HD1  ILE  47          1HD1      ILE  47   8.745   3.640  -4.819
  310   2HD1  ILE  47          2HD1      ILE  47   9.324   3.734  -6.499
  311   3HD1  ILE  47          3HD1      ILE  47   9.348   2.178  -5.634
  312    HA   PRO  48           HA       PRO  48  12.359   9.269  -2.331
  313   1HB   PRO  48          1HB       PRO  48  15.087   9.365  -2.212
  314   2HB   PRO  48          2HB       PRO  48  14.084   8.908  -0.850
  315   1HG   PRO  48          1HG       PRO  48  15.728   7.185  -2.601
  316   2HG   PRO  48          2HG       PRO  48  15.075   6.833  -1.013
  317   1HD   PRO  48          1HD       PRO  48  14.074   5.888  -3.530
  318   2HD   PRO  48          2HD       PRO  48  13.355   5.632  -1.953
  319    H    ARG  49           H        ARG  49  13.453  11.282  -3.223
  320    HA   ARG  49           HA       ARG  49  14.751  10.665  -5.719
  321   1HB   ARG  49          1HB       ARG  49  13.591  12.537  -6.900
  322   2HB   ARG  49          2HB       ARG  49  12.460  11.294  -6.406
  323   1HG   ARG  49          1HG       ARG  49  12.014  12.681  -4.291
  324   2HG   ARG  49          2HG       ARG  49  12.969  13.961  -5.013
  325   1HD   ARG  49          1HD       ARG  49  11.426  14.091  -6.938
  326   2HD   ARG  49          2HD       ARG  49  10.520  12.711  -6.350
  327    HE   ARG  49           HE       ARG  49  10.377  15.457  -5.334
  328   1HH1  ARG  49          2HH2      ARG  49   9.836  12.060  -4.490
  329   2HH1  ARG  49          1HH2      ARG  49   8.597  12.415  -3.334
  330   1HH2  ARG  49          1HH1      ARG  49   7.997  14.700  -2.919
  331    H    GLY  50           H        GLY  50  16.329  12.340  -6.349
  332   1HA   GLY  50          1HA       GLY  50  17.930  13.852  -5.884
  333   2HA   GLY  50          2HA       GLY  50  16.816  14.644  -4.788
  334    H    ASP  51           H        ASP  51  17.351  14.639  -2.630
  335    HA   ASP  51           HA       ASP  51  19.667  12.981  -2.048
  336   1HB   ASP  51          1HB       ASP  51  20.086  14.728  -0.244
  337   2HB   ASP  51          2HB       ASP  51  20.187  15.326  -1.888
  338    H    MET  52           H        MET  52  16.456  12.744  -1.691
  339    HA   MET  52           HA       MET  52  16.135  12.850   1.119
  340   1HB   MET  52          1HB       MET  52  14.476  12.133  -1.306
  341   2HB   MET  52          2HB       MET  52  13.906  11.539   0.241
  342   1HG   MET  52          1HG       MET  52  12.848  13.678  -0.068
  343   2HG   MET  52          2HG       MET  52  14.102  13.937   1.129
  344   1HE   MET  52          1HE       MET  52  14.221  17.260  -0.901
  345   2HE   MET  52          2HE       MET  52  12.789  16.290  -0.480
  346   3HE   MET  52          3HE       MET  52  14.094  16.511   0.709
  347    HA   PRO  53           HA       PRO  53  16.816   8.563   1.964
  348   1HB   PRO  53          1HB       PRO  53  15.461   8.336   4.326
  349   2HB   PRO  53          2HB       PRO  53  17.111   8.916   4.220
  350   1HG   PRO  53          1HG       PRO  53  14.632  10.456   4.688
  351   2HG   PRO  53          2HG       PRO  53  16.292  10.927   4.996
  352   1HD   PRO  53          1HD       PRO  53  14.641  11.783   2.812
  353   2HD   PRO  53          2HD       PRO  53  16.334  12.161   3.057
  354    H    ASP  54           H        ASP  54  15.867   6.504   1.775
  355    HA   ASP  54           HA       ASP  54  13.344   6.570   0.546
  356   1HB   ASP  54          1HB       ASP  54  13.504   4.037   0.829
  357   2HB   ASP  54          2HB       ASP  54  14.833   4.780  -0.039
  358    H    ASP  55           H        ASP  55  11.279   6.101   1.472
  359    HA   ASP  55           HA       ASP  55  11.187   6.179   4.329
  360   1HB   ASP  55          1HB       ASP  55   9.595   7.410   2.733
  361   2HB   ASP  55          2HB       ASP  55   8.889   5.852   2.348
  362    H    ARG  56           H        ARG  56  10.170   4.454   5.640
  363    HA   ARG  56           HA       ARG  56  10.298   1.907   4.240
  364   1HB   ARG  56          1HB       ARG  56  11.594   2.698   6.890
  365   2HB   ARG  56          2HB       ARG  56  11.399   1.025   6.409
  366   1HG   ARG  56          1HG       ARG  56  12.814   1.316   4.464
  367   2HG   ARG  56          2HG       ARG  56  12.785   3.062   4.615
  368   1HD   ARG  56          1HD       ARG  56  14.050   2.931   6.748
  369   2HD   ARG  56          2HD       ARG  56  14.010   1.180   6.691
  370    HE   ARG  56           HE       ARG  56  15.138   2.052   4.238
  371   1HH1  ARG  56          2HH2      ARG  56  15.950   2.143   7.686
  372   2HH1  ARG  56          1HH2      ARG  56  17.660   2.174   7.410
  373   1HH2  ARG  56          1HH1      ARG  56  18.487   2.115   5.160
  374    H    CYS  57           H        CYS  57   8.944   0.202   5.137
  375    HA   CYS  57           HA       CYS  57   6.590   1.085   6.348
  376   1HB   CYS  57          1HB       CYS  57   7.775  -1.550   5.630
  377   2HB   CYS  57          2HB       CYS  57   6.468  -1.550   6.798
  378    H    THR  58           H        THR  58   5.955   1.129   8.546
  379    HA   THR  58           HA       THR  58   7.906   0.638  10.579
  380    HB   THR  58           HB       THR  58   5.518   0.839  11.882
  381    HG1  THR  58           HG1      THR  58   4.131   2.066  10.414
  382   1HG2  THR  58          1HG2      THR  58   5.735   3.306  11.777
  383   2HG2  THR  58          2HG2      THR  58   7.348   2.575  11.950
  384   3HG2  THR  58          3HG2      THR  58   6.804   3.168  10.361
  385    H    GLY  59           H        GLY  59   5.454  -1.298   8.896
  386   1HA   GLY  59          1HA       GLY  59   4.766  -3.429   9.231
  387   2HA   GLY  59          2HA       GLY  59   6.011  -3.642  10.446
  388    H    GLN  60           H        GLN  60   3.961  -0.818  10.816
  389    HA   GLN  60           HA       GLN  60   2.201  -2.278  12.590
  390   1HB   GLN  60          1HB       GLN  60   4.327  -1.175  13.752
  391   2HB   GLN  60          2HB       GLN  60   3.404   0.306  13.590
  392   1HG   GLN  60          1HG       GLN  60   1.477  -0.774  14.780
  393   2HG   GLN  60          2HG       GLN  60   2.417  -2.243  14.955
  394   1HE2  GLN  60          1HE2      GLN  60   4.389  -2.183  16.169
  395   2HE2  GLN  60          2HE2      GLN  60   4.597  -1.063  17.472
  396    H    SER  61           H        SER  61   2.074  -0.888   9.891
  397    HA   SER  61           HA       SER  61  -0.334   0.491  10.417
  398   1HB   SER  61          1HB       SER  61   1.235   2.329  10.911
  399   2HB   SER  61          2HB       SER  61   2.051   2.085   9.380
  400    HG   SER  61           HG       SER  61   0.665   3.641   8.779
  401    H    ALA  62           H        ALA  62  -1.564   0.834   8.423
  402    HA   ALA  62           HA       ALA  62  -0.631  -0.778   6.224
  403   1HB   ALA  62          1HB       ALA  62  -3.160   0.854   6.687
  404   2HB   ALA  62          2HB       ALA  62  -2.878  -0.217   5.294
  405   3HB   ALA  62          3HB       ALA  62  -2.965  -0.897   6.938
  406    H    ASP  63           H        ASP  63  -0.798   2.628   7.186
  407    HA   ASP  63           HA       ASP  63   0.119   3.340   4.523
  408   1HB   ASP  63          1HB       ASP  63  -1.693   4.745   5.303
  409   2HB   ASP  63          2HB       ASP  63  -0.947   4.955   6.875
  410    H    CYS  64           H        CYS  64   2.102   4.733   4.384
  411    HA   CYS  64           HA       CYS  64   4.012   3.983   6.402
  412   1HB   CYS  64          1HB       CYS  64   4.167   4.295   3.689
  413   2HB   CYS  64          2HB       CYS  64   4.864   5.802   4.247
  414    HA   PRO  65           HA       PRO  65   3.769   7.936   8.335
  415   1HB   PRO  65          1HB       PRO  65   5.968   7.747   9.947
  416   2HB   PRO  65          2HB       PRO  65   4.403   7.091  10.382
  417   1HG   PRO  65          1HG       PRO  65   6.822   5.662   9.465
  418   2HG   PRO  65          2HG       PRO  65   5.418   5.022  10.296
  419   1HD   PRO  65          1HD       PRO  65   6.024   4.769   7.503
  420   2HD   PRO  65          2HD       PRO  65   4.565   4.230   8.313
  421    H    ARG  66           H        ARG  66   7.221   7.231   7.903
  422    HA   ARG  66           HA       ARG  66   7.457   9.671   6.447
  423   1HB   ARG  66          1HB       ARG  66   7.188  10.444   8.830
  424   2HB   ARG  66          2HB       ARG  66   8.568   9.468   9.292
  425   1HG   ARG  66          1HG       ARG  66  10.010  10.773   7.704
  426   2HG   ARG  66          2HG       ARG  66   8.629  11.759   7.269
  427   1HD   ARG  66          1HD       ARG  66   9.768  11.515  10.097
  428   2HD   ARG  66          2HD       ARG  66  10.090  12.846   9.004
  429    HE   ARG  66           HE       ARG  66   7.622  12.381  10.505
  430   1HH1  ARG  66          2HH2      ARG  66   8.983  13.958   7.638
  431   2HH1  ARG  66          1HH2      ARG  66   7.744  15.166   7.562
  432   1HH2  ARG  66          1HH1      ARG  66   5.980  15.143   9.184
  433    H    TYR  67           H        TYR  67   9.235   7.388   8.662
  434    HA   TYR  67           HA       TYR  67  10.933   6.628   6.443
  435   1HB   TYR  67          1HB       TYR  67  12.084   8.592   7.471
  436   2HB   TYR  67          2HB       TYR  67  11.804   7.959   9.080
  437    HD1  TYR  67           HD1      TYR  67  13.318   6.413  10.084
  438    HD2  TYR  67           HD2      TYR  67  13.720   7.409   5.943
  439    HE1  TYR  67           HE1      TYR  67  15.583   5.260  10.019
  440    HE2  TYR  67           HE2      TYR  67  15.982   6.252   5.891
  441    HH   TYR  67           HH       TYR  67  17.361   4.951   6.975
  442    H    HIS  68           H        HIS  68   8.833   5.232   8.483
  443    HA   HIS  68           HA       HIS  68   8.756   4.487  10.553
  444   1HB   HIS  68          1HB       HIS  68  10.785   3.072   9.692
  445   2HB   HIS  68          2HB       HIS  68  11.738   4.133  10.712
  446    HD1  HIS  68           HD1      HIS  68  10.239   4.370  13.274
  447    HD2  HIS  68           HD2      HIS  68  10.322   0.787  11.093
  448    HE1  HIS  68           HE1      HIS  68   9.692   2.509  14.933
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -20.617   0.668  -0.089
    2   2H    GLY   1          2H        GLY   1 -19.652  -0.279   0.867
    3   3H    GLY   1          3H        GLY   1 -21.037  -0.906   0.210
    4   1HA   GLY   1          1HA       GLY   1 -22.419   0.151   1.622
    5   2HA   GLY   1          2HA       GLY   1 -21.044  -0.236   2.639
    6    H    LYS   2           H        LYS   2 -21.398   1.541   4.074
    7    HA   LYS   2           HA       LYS   2 -21.155   4.191   2.872
    8   1HB   LYS   2          1HB       LYS   2 -22.013   3.266   5.627
    9   2HB   LYS   2          2HB       LYS   2 -21.786   4.949   5.195
   10   1HG   LYS   2          1HG       LYS   2 -23.569   3.157   3.509
   11   2HG   LYS   2          2HG       LYS   2 -24.184   3.892   4.976
   12   1HD   LYS   2          1HD       LYS   2 -22.728   5.807   3.246
   13   2HD   LYS   2          2HD       LYS   2 -24.123   5.096   2.458
   14   1HE   LYS   2          1HE       LYS   2 -24.883   7.094   3.608
   15   2HE   LYS   2          2HE       LYS   2 -25.524   5.715   4.479
   16   1HZ   LYS   2          1HZ       LYS   2 -23.782   5.951   6.117
   17   2HZ   LYS   2          2HZ       LYS   2 -23.023   7.112   5.263
   18    H    GLU   3           H        GLU   3 -19.042   1.875   3.481
   19    HA   GLU   3           HA       GLU   3 -17.028   3.826   3.928
   20   1HB   GLU   3          1HB       GLU   3 -17.965   2.565   6.227
   21   2HB   GLU   3          2HB       GLU   3 -16.584   1.577   5.798
   22   1HG   GLU   3          1HG       GLU   3 -16.496   4.623   6.019
   23   2HG   GLU   3          2HG       GLU   3 -16.030   3.535   7.312
   24    H    CYS   4           H        CYS   4 -14.912   3.059   3.249
   25    HA   CYS   4           HA       CYS   4 -15.028   0.410   1.998
   26   1HB   CYS   4          1HB       CYS   4 -13.448   2.830   1.102
   27   2HB   CYS   4          2HB       CYS   4 -13.380   1.240   0.370
   28    H    ASP   5           H        ASP   5 -13.345  -1.039   2.596
   29    HA   ASP   5           HA       ASP   5 -11.271  -0.052   4.293
   30   1HB   ASP   5          1HB       ASP   5 -11.815  -2.724   2.930
   31   2HB   ASP   5          2HB       ASP   5 -10.346  -2.440   3.843
   32    H    CYS   6           H        CYS   6 -11.977  -0.488   0.877
   33    HA   CYS   6           HA       CYS   6  -9.138  -0.281   0.212
   34   1HB   CYS   6          1HB       CYS   6 -11.477  -1.082  -1.532
   35   2HB   CYS   6          2HB       CYS   6  -9.806  -0.984  -2.050
   36    H    SER   7           H        SER   7  -8.958   1.067  -2.055
   37    HA   SER   7           HA       SER   7 -10.441   3.513  -1.652
   38   1HB   SER   7          1HB       SER   7  -8.296   2.933  -3.736
   39   2HB   SER   7          2HB       SER   7  -8.881   4.507  -3.239
   40    HG   SER   7           HG       SER   7  -7.986   4.130  -1.114
   41    H    SER   8           H        SER   8 -10.508   0.579  -3.500
   42    HA   SER   8           HA       SER   8 -12.363   1.832  -5.363
   43   1HB   SER   8          1HB       SER   8 -10.231  -0.240  -6.050
   44   2HB   SER   8          2HB       SER   8 -11.471   0.316  -7.156
   45    HG   SER   8           HG       SER   8  -9.486   1.474  -7.483
   46    HA   PRO   9           HA       PRO   9 -14.788  -1.710  -4.367
   47   1HB   PRO   9          1HB       PRO   9 -16.605  -1.633  -6.408
   48   2HB   PRO   9          2HB       PRO   9 -16.756  -0.668  -4.952
   49   1HG   PRO   9          1HG       PRO   9 -15.941   0.183  -7.664
   50   2HG   PRO   9          2HG       PRO   9 -16.503   1.166  -6.327
   51   1HD   PRO   9          1HD       PRO   9 -13.794   0.873  -7.222
   52   2HD   PRO   9          2HD       PRO   9 -14.342   1.763  -5.816
   53    H    GLU  10           H        GLU  10 -13.189  -1.336  -7.383
   54    HA   GLU  10           HA       GLU  10 -13.745  -4.016  -8.161
   55   1HB   GLU  10          1HB       GLU  10 -11.803  -1.954  -9.292
   56   2HB   GLU  10          2HB       GLU  10 -12.170  -3.493 -10.047
   57   1HG   GLU  10          1HG       GLU  10 -14.215  -1.304  -9.438
   58   2HG   GLU  10          2HG       GLU  10 -13.516  -1.617 -11.014
   59    H    ASN  11           H        ASN  11 -11.575  -2.498  -5.981
   60    HA   ASN  11           HA       ASN  11  -9.329  -4.034  -6.198
   61   1HB   ASN  11          1HB       ASN  11  -9.860  -2.090  -4.561
   62   2HB   ASN  11          2HB       ASN  11 -10.659  -3.278  -3.550
   63   1HD2  ASN  11          1HD2      ASN  11  -8.006  -1.586  -3.682
   64   2HD2  ASN  11          2HD2      ASN  11  -6.804  -2.672  -3.071
   65    HA   PRO  12           HA       PRO  12 -11.182  -7.918  -5.361
   66   1HB   PRO  12          1HB       PRO  12  -8.968  -9.500  -5.612
   67   2HB   PRO  12          2HB       PRO  12  -9.907  -8.942  -6.982
   68   1HG   PRO  12          1HG       PRO  12  -7.270  -8.001  -6.037
   69   2HG   PRO  12          2HG       PRO  12  -8.019  -7.773  -7.604
   70   1HD   PRO  12          1HD       PRO  12  -7.802  -5.829  -5.507
   71   2HD   PRO  12          2HD       PRO  12  -8.652  -5.639  -7.026
   72    H    CYS  13           H        CYS  13  -8.981  -6.369  -3.379
   73    HA   CYS  13           HA       CYS  13  -8.998  -8.316  -1.322
   74   1HB   CYS  13          1HB       CYS  13  -8.597  -5.330  -1.068
   75   2HB   CYS  13          2HB       CYS  13  -8.139  -6.558   0.095
   76    H    CYS  14           H        CYS  14 -11.223  -5.899  -2.603
   77    HA   CYS  14           HA       CYS  14 -12.864  -6.163  -0.189
   78   1HB   CYS  14          1HB       CYS  14 -12.526  -3.857  -2.102
   79   2HB   CYS  14          2HB       CYS  14 -13.908  -3.984  -1.032
   80    H    ASP  15           H        ASP  15 -15.078  -6.795  -0.513
   81    HA   ASP  15           HA       ASP  15 -15.931  -7.536  -3.090
   82   1HB   ASP  15          1HB       ASP  15 -16.852  -8.395  -0.880
   83   2HB   ASP  15          2HB       ASP  15 -17.605  -6.832  -0.634
   84    H    ALA  16           H        ALA  16 -17.615  -6.386  -4.382
   85    HA   ALA  16           HA       ALA  16 -16.956  -3.630  -4.518
   86   1HB   ALA  16          1HB       ALA  16 -19.011  -5.312  -6.010
   87   2HB   ALA  16          2HB       ALA  16 -18.483  -3.676  -6.471
   88   3HB   ALA  16          3HB       ALA  16 -17.325  -5.027  -6.507
   89    H    ALA  17           H        ALA  17 -19.613  -5.559  -3.144
   90    HA   ALA  17           HA       ALA  17 -21.497  -3.426  -3.243
   91   1HB   ALA  17          1HB       ALA  17 -22.941  -5.002  -2.078
   92   2HB   ALA  17          2HB       ALA  17 -22.052  -5.866  -3.354
   93   3HB   ALA  17          3HB       ALA  17 -21.546  -6.023  -1.654
   94    H    THR  18           H        THR  18 -19.408  -4.942  -0.711
   95    HA   THR  18           HA       THR  18 -20.327  -3.033   1.257
   96    HB   THR  18           HB       THR  18 -18.852  -4.359   2.738
   97    HG1  THR  18           HG1      THR  18 -17.429  -5.884   1.681
   98   1HG2  THR  18          1HG2      THR  18 -19.860  -6.516   2.545
   99   2HG2  THR  18          2HG2      THR  18 -21.066  -5.435   1.807
  100   3HG2  THR  18          3HG2      THR  18 -19.980  -6.393   0.773
  101    H    CYS  19           H        CYS  19 -17.668  -3.404  -1.049
  102    HA   CYS  19           HA       CYS  19 -15.966  -2.096  -1.534
  103   1HB   CYS  19          1HB       CYS  19 -17.686  -0.234  -0.952
  104   2HB   CYS  19          2HB       CYS  19 -16.750  -0.044   0.517
  105    H    LYS  20           H        LYS  20 -16.244  -4.065   0.838
  106    HA   LYS  20           HA       LYS  20 -13.962  -3.117   2.406
  107   1HB   LYS  20          1HB       LYS  20 -16.710  -3.822   3.395
  108   2HB   LYS  20          2HB       LYS  20 -15.318  -4.181   4.399
  109   1HG   LYS  20          1HG       LYS  20 -14.578  -1.797   4.232
  110   2HG   LYS  20          2HG       LYS  20 -15.964  -1.435   3.221
  111   1HD   LYS  20          1HD       LYS  20 -16.239  -2.604   6.025
  112   2HD   LYS  20          2HD       LYS  20 -16.208  -0.879   5.722
  113   1HE   LYS  20          1HE       LYS  20 -18.144  -1.284   4.045
  114   2HE   LYS  20          2HE       LYS  20 -18.262  -2.896   4.719
  115   1HZ   LYS  20          1HZ       LYS  20 -18.600  -1.869   6.923
  116   2HZ   LYS  20          2HZ       LYS  20 -18.529  -0.378   6.274
  117    H    LEU  21           H        LEU  21 -13.183  -5.074   3.888
  118    HA   LEU  21           HA       LEU  21 -12.090  -6.640   1.862
  119   1HB   LEU  21          1HB       LEU  21 -11.974  -6.992   4.861
  120   2HB   LEU  21          2HB       LEU  21 -10.932  -7.794   3.702
  121    HG   LEU  21           HG       LEU  21 -11.075  -4.782   3.899
  122   1HD1  LEU  21          1HD1      LEU  21  -9.080  -4.867   5.340
  123   2HD1  LEU  21          2HD1      LEU  21 -10.511  -5.585   6.119
  124   3HD1  LEU  21          3HD1      LEU  21  -9.243  -6.637   5.445
  125   1HD2  LEU  21          1HD2      LEU  21  -8.855  -4.888   2.863
  126   2HD2  LEU  21          2HD2      LEU  21  -8.960  -6.664   2.815
  127   3HD2  LEU  21          3HD2      LEU  21 -10.091  -5.679   1.855
  128    H    ARG  22           H        ARG  22 -12.791  -8.537   0.890
  129    HA   ARG  22           HA       ARG  22 -14.611 -10.215   2.262
  130   1HB   ARG  22          1HB       ARG  22 -12.669 -10.971   0.024
  131   2HB   ARG  22          2HB       ARG  22 -14.132 -11.827   0.467
  132   1HG   ARG  22          1HG       ARG  22 -15.356 -10.505  -0.906
  133   2HG   ARG  22          2HG       ARG  22 -14.854  -9.079  -0.020
  134   1HD   ARG  22          1HD       ARG  22 -14.194  -8.834  -2.372
  135   2HD   ARG  22          2HD       ARG  22 -12.750  -8.980  -1.389
  136    HE   ARG  22           HE       ARG  22 -12.936 -11.523  -2.028
  137   1HH1  ARG  22          2HH2      ARG  22 -13.146  -8.716  -4.134
  138   2HH1  ARG  22          1HH2      ARG  22 -13.305  -9.640  -5.592
  139   1HH2  ARG  22          1HH1      ARG  22 -13.100 -12.030  -5.474
  140    HA   PRO  23           HA       PRO  23 -11.146 -13.114   2.226
  141   1HB   PRO  23          1HB       PRO  23  -8.532 -12.553   1.661
  142   2HB   PRO  23          2HB       PRO  23  -9.727 -12.893   0.427
  143   1HG   PRO  23          1HG       PRO  23  -8.544 -10.295   1.196
  144   2HG   PRO  23          2HG       PRO  23  -9.394 -10.722  -0.277
  145   1HD   PRO  23          1HD       PRO  23 -10.435  -9.213   1.930
  146   2HD   PRO  23          2HD       PRO  23 -11.318  -9.739   0.511
  147    H    GLY  24           H        GLY  24  -8.989 -14.098   3.360
  148   1HA   GLY  24          1HA       GLY  24  -8.806 -13.086   6.013
  149   2HA   GLY  24          2HA       GLY  24  -7.727 -14.220   5.225
  150    H    ALA  25           H        ALA  25  -8.621 -10.693   5.135
  151    HA   ALA  25           HA       ALA  25  -5.810 -10.158   4.452
  152   1HB   ALA  25          1HB       ALA  25  -6.964  -8.106   3.262
  153   2HB   ALA  25          2HB       ALA  25  -6.917  -9.692   2.456
  154   3HB   ALA  25          3HB       ALA  25  -8.400  -9.155   3.281
  155    H    GLN  26           H        GLN  26  -5.074  -7.939   5.113
  156    HA   GLN  26           HA       GLN  26  -6.343  -7.318   7.657
  157   1HB   GLN  26          1HB       GLN  26  -3.503  -7.035   6.630
  158   2HB   GLN  26          2HB       GLN  26  -4.041  -6.113   8.020
  159   1HG   GLN  26          1HG       GLN  26  -4.435  -9.128   7.864
  160   2HG   GLN  26          2HG       GLN  26  -2.942  -8.433   8.459
  161   1HE2  GLN  26          1HE2      GLN  26  -3.151  -6.764  10.174
  162   2HE2  GLN  26          2HE2      GLN  26  -4.330  -6.999  11.420
  163    H    CYS  27           H        CYS  27  -5.209  -5.983   4.538
  164    HA   CYS  27           HA       CYS  27  -6.841  -3.646   5.070
  165   1HB   CYS  27          1HB       CYS  27  -5.039  -2.165   4.128
  166   2HB   CYS  27          2HB       CYS  27  -4.797  -2.746   5.764
  167    H    GLY  28           H        GLY  28  -7.006  -2.346   2.863
  168   1HA   GLY  28          1HA       GLY  28  -6.900  -4.233   0.604
  169   2HA   GLY  28          2HA       GLY  28  -7.855  -2.768   0.695
  170    H    GLU  29           H        GLU  29  -6.032  -0.830   1.572
  171    HA   GLU  29           HA       GLU  29  -4.017  -0.871  -0.497
  172   1HB   GLU  29          1HB       GLU  29  -6.311   1.135  -0.409
  173   2HB   GLU  29          2HB       GLU  29  -4.874   1.341  -1.390
  174   1HG   GLU  29          1HG       GLU  29  -5.402  -0.975  -2.412
  175   2HG   GLU  29          2HG       GLU  29  -6.957  -0.874  -1.610
  176    H    GLY  30           H        GLY  30  -2.865   1.499  -0.436
  177   1HA   GLY  30          1HA       GLY  30  -2.185   3.072   1.405
  178   2HA   GLY  30          2HA       GLY  30  -2.144   1.649   2.428
  179    H    LEU  31           H        LEU  31   0.113   3.424   1.793
  180    HA   LEU  31           HA       LEU  31   1.575   2.449  -0.395
  181   1HB   LEU  31          1HB       LEU  31   2.393   4.050   2.031
  182   2HB   LEU  31          2HB       LEU  31   3.443   3.730   0.664
  183    HG   LEU  31           HG       LEU  31   0.771   5.098   0.324
  184   1HD1  LEU  31          1HD1      LEU  31   3.435   6.405   0.935
  185   2HD1  LEU  31          2HD1      LEU  31   1.967   7.255   0.396
  186   3HD1  LEU  31          3HD1      LEU  31   1.982   6.409   1.962
  187   1HD2  LEU  31          1HD2      LEU  31   3.286   4.985  -1.359
  188   2HD2  LEU  31          2HD2      LEU  31   1.708   4.247  -1.720
  189   3HD2  LEU  31          3HD2      LEU  31   1.878   6.019  -1.704
  190    H    CYS  32           H        CYS  32   1.147   1.345   2.922
  191    HA   CYS  32           HA       CYS  32   3.495  -0.376   2.611
  192   1HB   CYS  32          1HB       CYS  32   3.514   1.223   4.516
  193   2HB   CYS  32          2HB       CYS  32   2.085   0.439   5.160
  194    H    CYS  33           H        CYS  33   0.391  -0.455   1.805
  195    HA   CYS  33           HA       CYS  33  -0.172  -3.034   3.047
  196   1HB   CYS  33          1HB       CYS  33  -1.918  -1.275   3.122
  197   2HB   CYS  33          2HB       CYS  33  -1.972  -1.273   1.370
  198    H    GLU  34           H        GLU  34   0.567  -4.789   1.897
  199    HA   GLU  34           HA       GLU  34   0.086  -4.693  -0.966
  200   1HB   GLU  34          1HB       GLU  34   2.638  -5.674   0.381
  201   2HB   GLU  34          2HB       GLU  34   2.235  -6.024  -1.288
  202   1HG   GLU  34          1HG       GLU  34   1.994  -3.480  -1.636
  203   2HG   GLU  34          2HG       GLU  34   2.698  -3.279  -0.045
  204    H    GLN  35           H        GLN  35  -0.569  -6.711  -1.889
  205    HA   GLN  35           HA       GLN  35  -1.615  -8.612  -1.896
  206   1HB   GLN  35          1HB       GLN  35   0.765  -9.178  -0.663
  207   2HB   GLN  35          2HB       GLN  35  -0.354  -9.731   0.567
  208   1HG   GLN  35          1HG       GLN  35  -0.456 -10.571  -2.369
  209   2HG   GLN  35          2HG       GLN  35   0.266 -11.526  -1.089
  210   1HE2  GLN  35          1HE2      GLN  35  -1.064 -12.239   0.672
  211   2HE2  GLN  35          2HE2      GLN  35  -2.753 -12.549   0.439
  212    H    CYS  36           H        CYS  36  -2.746  -6.366  -0.390
  213    HA   CYS  36           HA       CYS  36  -4.501  -5.934   0.854
  214   1HB   CYS  36          1HB       CYS  36  -5.101  -8.876   1.101
  215   2HB   CYS  36          2HB       CYS  36  -6.217  -7.527   1.175
  216    H    LYS  37           H        LYS  37  -1.759  -6.617   1.964
  217    HA   LYS  37           HA       LYS  37  -2.565  -7.187   4.706
  218   1HB   LYS  37          1HB       LYS  37  -0.655  -8.846   3.060
  219   2HB   LYS  37          2HB       LYS  37  -0.513  -8.761   4.804
  220   1HG   LYS  37          1HG       LYS  37  -2.867  -9.526   5.057
  221   2HG   LYS  37          2HG       LYS  37  -3.060  -9.556   3.315
  222   1HD   LYS  37          1HD       LYS  37  -1.235 -11.270   3.149
  223   2HD   LYS  37          2HD       LYS  37  -1.064 -11.249   4.893
  224   1HE   LYS  37          1HE       LYS  37  -3.424 -12.011   5.151
  225   2HE   LYS  37          2HE       LYS  37  -3.634 -11.989   3.411
  226   1HZ   LYS  37          1HZ       LYS  37  -3.071 -14.221   4.266
  227   2HZ   LYS  37          2HZ       LYS  37  -1.937 -13.706   3.217
  228    H    PHE  38           H        PHE  38  -0.636  -6.766   6.233
  229    HA   PHE  38           HA       PHE  38   0.513  -4.258   5.438
  230   1HB   PHE  38          1HB       PHE  38   0.466  -6.082   7.898
  231   2HB   PHE  38          2HB       PHE  38   1.523  -4.684   7.873
  232    HD1  PHE  38           HD1      PHE  38  -2.018  -5.261   6.813
  233    HD2  PHE  38           HD2      PHE  38   0.680  -2.983   9.165
  234    HE1  PHE  38           HE1      PHE  38  -3.915  -3.811   7.586
  235    HE2  PHE  38           HE2      PHE  38  -1.217  -1.533   9.938
  236    HZ   PHE  38           HZ       PHE  38  -3.492  -1.965   9.139
  237    H    SER  39           H        SER  39   2.513  -3.955   4.574
  238    HA   SER  39           HA       SER  39   4.056  -6.166   3.903
  239   1HB   SER  39          1HB       SER  39   4.407  -4.415   2.435
  240   2HB   SER  39          2HB       SER  39   4.295  -3.193   3.686
  241    HG   SER  39           HG       SER  39   6.429  -3.628   4.341
  242    H    ARG  40           H        ARG  40   6.516  -6.305   4.473
  243    HA   ARG  40           HA       ARG  40   6.653  -6.539   7.276
  244   1HB   ARG  40          1HB       ARG  40   8.670  -6.955   5.024
  245   2HB   ARG  40          2HB       ARG  40   9.111  -7.190   6.704
  246   1HG   ARG  40          1HG       ARG  40   7.302  -8.883   6.962
  247   2HG   ARG  40          2HG       ARG  40   6.806  -8.626   5.301
  248   1HD   ARG  40          1HD       ARG  40   9.041  -9.397   4.499
  249   2HD   ARG  40          2HD       ARG  40   9.570  -9.619   6.154
  250    HE   ARG  40           HE       ARG  40   7.737 -11.356   4.650
  251   1HH1  ARG  40          2HH2      ARG  40   8.738 -10.377   7.903
  252   2HH1  ARG  40          1HH2      ARG  40   8.373 -11.913   8.615
  253   1HH2  ARG  40          1HH1      ARG  40   7.435 -13.645   7.247
  254    H    ALA  41           H        ALA  41   8.330  -5.507   8.677
  255    HA   ALA  41           HA       ALA  41   8.362  -2.713   8.216
  256   1HB   ALA  41          1HB       ALA  41   9.873  -4.340  10.296
  257   2HB   ALA  41          2HB       ALA  41   9.419  -2.621  10.391
  258   3HB   ALA  41          3HB       ALA  41   8.160  -3.879  10.442
  259    H    GLY  42           H        GLY  42   9.942  -1.404   7.364
  260   1HA   GLY  42          1HA       GLY  42  12.208  -0.813   7.162
  261   2HA   GLY  42          2HA       GLY  42  12.661  -2.507   7.160
  262    H    LYS  43           H        LYS  43  10.085  -2.822   5.273
  263    HA   LYS  43           HA       LYS  43  11.497  -2.688   2.831
  264   1HB   LYS  43          1HB       LYS  43   9.660  -4.293   3.383
  265   2HB   LYS  43          2HB       LYS  43   8.514  -2.968   3.304
  266   1HG   LYS  43          1HG       LYS  43   9.624  -2.539   0.917
  267   2HG   LYS  43          2HG       LYS  43  10.132  -4.209   1.067
  268   1HD   LYS  43          1HD       LYS  43   8.051  -4.447   0.007
  269   2HD   LYS  43          2HD       LYS  43   7.615  -4.681   1.687
  270   1HE   LYS  43          1HE       LYS  43   5.999  -3.131   0.840
  271   2HE   LYS  43          2HE       LYS  43   7.106  -2.156   1.788
  272   1HZ   LYS  43          1HZ       LYS  43   8.095  -1.308  -0.147
  273   2HZ   LYS  43          2HZ       LYS  43   7.565  -2.509  -1.108
  274    H    ILE  44           H        ILE  44  11.763  -1.040   1.404
  275    HA   ILE  44           HA       ILE  44  11.081   1.557   2.179
  276    HB   ILE  44           HB       ILE  44  12.324   0.231  -0.158
  277   1HG1  ILE  44          1HG1      ILE  44  14.008   2.063   0.277
  278   2HG1  ILE  44          2HG1      ILE  44  13.036   2.557   1.648
  279   1HG2  ILE  44          1HG2      ILE  44  11.088   2.988  -0.310
  280   2HG2  ILE  44          2HG2      ILE  44  12.390   2.426  -1.387
  281   3HG2  ILE  44          3HG2      ILE  44  10.815   1.597  -1.387
  282   1HD1  ILE  44          1HD1      ILE  44  13.319   0.394   2.732
  283   2HD1  ILE  44          2HD1      ILE  44  14.099  -0.280   1.282
  284   3HD1  ILE  44          3HD1      ILE  44  14.925   0.977   2.233
  285    H    CYS  45           H        CYS  45   9.204   2.663   2.048
  286    HA   CYS  45           HA       CYS  45   7.037   1.367   0.644
  287   1HB   CYS  45          1HB       CYS  45   5.589   2.890   1.819
  288   2HB   CYS  45          2HB       CYS  45   6.690   2.114   2.941
  289    H    ARG  46           H        ARG  46   9.206   4.195   0.479
  290    HA   ARG  46           HA       ARG  46   7.894   5.037  -1.935
  291   1HB   ARG  46          1HB       ARG  46   6.830   6.190   0.163
  292   2HB   ARG  46          2HB       ARG  46   8.342   7.067   0.295
  293   1HG   ARG  46          1HG       ARG  46   7.986   8.275  -1.676
  294   2HG   ARG  46          2HG       ARG  46   7.013   7.013  -2.407
  295   1HD   ARG  46          1HD       ARG  46   5.272   8.424  -1.876
  296   2HD   ARG  46          2HD       ARG  46   5.385   7.642  -0.312
  297    HE   ARG  46           HE       ARG  46   6.174  10.387  -0.950
  298   1HH1  ARG  46          2HH2      ARG  46   6.058   7.874   1.516
  299   2HH1  ARG  46          1HH2      ARG  46   7.082   8.720   2.627
  300   1HH2  ARG  46          1HH1      ARG  46   7.590  11.032   2.163
  301    H    ILE  47           H        ILE  47   9.269   6.457  -3.246
  302    HA   ILE  47           HA       ILE  47  12.051   5.951  -2.625
  303    HB   ILE  47           HB       ILE  47  10.803   7.115  -5.115
  304   1HG1  ILE  47          1HG1      ILE  47   9.782   4.991  -4.823
  305   2HG1  ILE  47          2HG1      ILE  47  11.043   4.788  -6.024
  306   1HG2  ILE  47          1HG2      ILE  47  12.872   6.441  -6.203
  307   2HG2  ILE  47          2HG2      ILE  47  13.205   7.559  -4.860
  308   3HG2  ILE  47          3HG2      ILE  47  13.503   5.816  -4.660
  309   1HD1  ILE  47          1HD1      ILE  47  11.247   2.925  -4.517
  310   2HD1  ILE  47          2HD1      ILE  47  12.588   4.027  -4.116
  311   3HD1  ILE  47          3HD1      ILE  47  11.135   3.982  -3.088
  312    HA   PRO  48           HA       PRO  48  12.765  10.106  -1.467
  313   1HB   PRO  48          1HB       PRO  48  15.494  10.012  -1.344
  314   2HB   PRO  48          2HB       PRO  48  14.457   9.516  -0.022
  315   1HG   PRO  48          1HG       PRO  48  15.993   7.831  -1.904
  316   2HG   PRO  48          2HG       PRO  48  15.310   7.398  -0.349
  317   1HD   PRO  48          1HD       PRO  48  14.260   6.724  -2.932
  318   2HD   PRO  48          2HD       PRO  48  13.518   6.392  -1.380
  319    H    ARG  49           H        ARG  49  12.929  12.055  -2.480
  320    HA   ARG  49           HA       ARG  49  13.701  12.024  -5.171
  321   1HB   ARG  49          1HB       ARG  49  12.155  13.717  -4.065
  322   2HB   ARG  49          2HB       ARG  49  13.549  14.410  -3.261
  323   1HG   ARG  49          1HG       ARG  49  14.557  14.584  -5.702
  324   2HG   ARG  49          2HG       ARG  49  12.895  14.395  -6.224
  325   1HD   ARG  49          1HD       ARG  49  12.242  16.351  -4.768
  326   2HD   ARG  49          2HD       ARG  49  13.925  16.556  -4.321
  327    HE   ARG  49           HE       ARG  49  13.764  16.513  -7.176
  328   1HH1  ARG  49          2HH2      ARG  49  12.812  18.586  -4.463
  329   2HH1  ARG  49          1HH2      ARG  49  12.898  20.047  -5.389
  330   1HH2  ARG  49          1HH1      ARG  49  13.529  19.939  -7.698
  331    H    GLY  50           H        GLY  50  15.849  10.932  -4.989
  332   1HA   GLY  50          1HA       GLY  50  18.058  11.171  -5.377
  333   2HA   GLY  50          2HA       GLY  50  17.886  12.906  -5.194
  334    H    ASP  51           H        ASP  51  17.808  13.815  -2.908
  335    HA   ASP  51           HA       ASP  51  20.077  12.451  -1.745
  336   1HB   ASP  51          1HB       ASP  51  20.488  14.728  -0.684
  337   2HB   ASP  51          2HB       ASP  51  20.555  14.707  -2.435
  338    H    MET  52           H        MET  52  16.822  12.485  -1.269
  339    HA   MET  52           HA       MET  52  16.789  13.037   1.535
  340   1HB   MET  52          1HB       MET  52  14.827  12.204  -0.611
  341   2HB   MET  52          2HB       MET  52  14.389  11.836   1.045
  342   1HG   MET  52          1HG       MET  52  13.464  14.014   0.577
  343   2HG   MET  52          2HG       MET  52  14.841  14.287   1.625
  344   1HE   MET  52          1HE       MET  52  14.857  16.816   0.858
  345   2HE   MET  52          2HE       MET  52  14.929  17.335  -0.843
  346   3HE   MET  52          3HE       MET  52  13.484  16.497  -0.229
  347    HA   PRO  53           HA       PRO  53  17.070   8.787   2.796
  348   1HB   PRO  53          1HB       PRO  53  15.598   8.815   5.099
  349   2HB   PRO  53          2HB       PRO  53  17.283   9.292   5.033
  350   1HG   PRO  53          1HG       PRO  53  14.882  11.000   5.264
  351   2HG   PRO  53          2HG       PRO  53  16.551  11.399   5.618
  352   1HD   PRO  53          1HD       PRO  53  15.055  12.179   3.299
  353   2HD   PRO  53          2HD       PRO  53  16.756  12.478   3.599
  354    H    ASP  54           H        ASP  54  16.099   6.831   2.429
  355    HA   ASP  54           HA       ASP  54  13.669   7.007   1.064
  356   1HB   ASP  54          1HB       ASP  54  13.747   4.489   1.168
  357   2HB   ASP  54          2HB       ASP  54  15.227   5.211   0.567
  358    H    ASP  55           H        ASP  55  11.527   6.447   1.789
  359    HA   ASP  55           HA       ASP  55  11.232   6.431   4.648
  360   1HB   ASP  55          1HB       ASP  55   9.265   6.576   2.322
  361   2HB   ASP  55          2HB       ASP  55   8.731   6.470   3.988
  362    H    ARG  56           H        ARG  56  10.028   4.670   5.767
  363    HA   ARG  56           HA       ARG  56  10.367   2.207   4.251
  364   1HB   ARG  56          1HB       ARG  56  11.310   2.858   7.086
  365   2HB   ARG  56          2HB       ARG  56  11.276   1.227   6.447
  366   1HG   ARG  56          1HG       ARG  56  12.839   1.840   4.646
  367   2HG   ARG  56          2HG       ARG  56  12.782   3.527   5.119
  368   1HD   ARG  56          1HD       ARG  56  13.842   3.017   7.282
  369   2HD   ARG  56          2HD       ARG  56  13.758   1.296   6.966
  370    HE   ARG  56           HE       ARG  56  15.171   2.585   4.817
  371   1HH1  ARG  56          2HH2      ARG  56  15.595   1.705   8.223
  372   2HH1  ARG  56          1HH2      ARG  56  17.315   1.552   8.098
  373   1HH2  ARG  56          1HH1      ARG  56  18.382   1.983   5.996
  374    H    CYS  57           H        CYS  57   9.119   0.325   5.135
  375    HA   CYS  57           HA       CYS  57   6.594   1.094   6.164
  376   1HB   CYS  57          1HB       CYS  57   7.904  -1.426   5.302
  377   2HB   CYS  57          2HB       CYS  57   6.592  -1.586   6.452
  378    H    THR  58           H        THR  58   5.858   1.000   8.318
  379    HA   THR  58           HA       THR  58   7.781   0.401  10.386
  380    HB   THR  58           HB       THR  58   5.330   0.757  11.606
  381    HG1  THR  58           HG1      THR  58   4.027   1.805  10.120
  382   1HG2  THR  58          1HG2      THR  58   5.863   3.180  11.706
  383   2HG2  THR  58          2HG2      THR  58   7.350   2.230  11.938
  384   3HG2  THR  58          3HG2      THR  58   7.018   2.995  10.365
  385    H    GLY  59           H        GLY  59   5.339  -1.315   8.540
  386   1HA   GLY  59          1HA       GLY  59   4.610  -3.449   8.676
  387   2HA   GLY  59          2HA       GLY  59   5.796  -3.768   9.926
  388    H    GLN  60           H        GLN  60   3.914  -0.963  10.639
  389    HA   GLN  60           HA       GLN  60   2.133  -2.598  12.269
  390   1HB   GLN  60          1HB       GLN  60   3.700  -0.113  13.062
  391   2HB   GLN  60          2HB       GLN  60   2.321  -0.677  13.984
  392   1HG   GLN  60          1HG       GLN  60   3.417  -2.596  14.737
  393   2HG   GLN  60          2HG       GLN  60   4.427  -2.716  13.309
  394   1HE2  GLN  60          1HE2      GLN  60   6.284  -1.479  13.111
  395   2HE2  GLN  60          2HE2      GLN  60   7.053  -0.702  14.454
  396    H    SER  61           H        SER  61   2.110  -0.895   9.579
  397    HA   SER  61           HA       SER  61  -0.363   0.431  10.108
  398   1HB   SER  61          1HB       SER  61   0.472   2.665   9.308
  399   2HB   SER  61          2HB       SER  61   1.123   2.190  10.865
  400    HG   SER  61           HG       SER  61   2.425   2.300   8.314
  401    H    ALA  62           H        ALA  62  -1.536   0.834   8.146
  402    HA   ALA  62           HA       ALA  62  -0.520  -0.673   5.911
  403   1HB   ALA  62          1HB       ALA  62  -2.837  -0.951   6.615
  404   2HB   ALA  62          2HB       ALA  62  -3.137   0.794   6.432
  405   3HB   ALA  62          3HB       ALA  62  -2.802  -0.207   4.999
  406    H    ASP  63           H        ASP  63  -1.167   2.741   6.826
  407    HA   ASP  63           HA       ASP  63  -0.146   3.628   4.306
  408   1HB   ASP  63          1HB       ASP  63  -0.751   5.091   6.917
  409   2HB   ASP  63          2HB       ASP  63  -0.219   5.897   5.456
  410    H    CYS  64           H        CYS  64   1.950   4.804   4.120
  411    HA   CYS  64           HA       CYS  64   3.925   3.948   6.016
  412   1HB   CYS  64          1HB       CYS  64   4.198   4.168   3.470
  413   2HB   CYS  64          2HB       CYS  64   4.350   5.891   3.753
  414    HA   PRO  65           HA       PRO  65   3.642   7.753   8.270
  415   1HB   PRO  65          1HB       PRO  65   5.636   7.237  10.066
  416   2HB   PRO  65          2HB       PRO  65   3.975   6.730  10.305
  417   1HG   PRO  65          1HG       PRO  65   6.316   5.100   9.529
  418   2HG   PRO  65          2HG       PRO  65   4.777   4.571  10.178
  419   1HD   PRO  65          1HD       PRO  65   5.634   4.412   7.445
  420   2HD   PRO  65          2HD       PRO  65   4.054   3.990   8.075
  421    H    ARG  66           H        ARG  66   6.997   6.654   8.080
  422    HA   ARG  66           HA       ARG  66   7.691   8.619   6.243
  423   1HB   ARG  66          1HB       ARG  66   7.287   9.714   8.780
  424   2HB   ARG  66          2HB       ARG  66   9.013   9.406   8.788
  425   1HG   ARG  66          1HG       ARG  66   7.527  10.955   6.612
  426   2HG   ARG  66          2HG       ARG  66   8.444  11.689   7.913
  427   1HD   ARG  66          1HD       ARG  66   9.613   9.779   5.830
  428   2HD   ARG  66          2HD       ARG  66   9.753  11.525   5.769
  429    HE   ARG  66           HE       ARG  66  10.730  10.939   8.281
  430   1HH1  ARG  66          2HH2      ARG  66  11.542   9.836   5.014
  431   2HH1  ARG  66          1HH2      ARG  66  13.142   9.333   5.447
  432   1HH2  ARG  66          1HH1      ARG  66  13.934   9.741   7.674
  433    H    TYR  67           H        TYR  67   8.812   6.897   9.242
  434    HA   TYR  67           HA       TYR  67  10.719   5.415   7.686
  435   1HB   TYR  67          1HB       TYR  67  11.619   7.823   8.461
  436   2HB   TYR  67          2HB       TYR  67  11.665   7.106  10.060
  437    HD1  TYR  67           HD1      TYR  67  13.397   5.566  10.690
  438    HD2  TYR  67           HD2      TYR  67  13.079   6.908   6.639
  439    HE1  TYR  67           HE1      TYR  67  15.690   4.594  10.179
  440    HE2  TYR  67           HE2      TYR  67  15.372   5.930   6.142
  441    HH   TYR  67           HH       TYR  67  17.044   4.794   6.898
  442    H    HIS  68           H        HIS  68  11.907   3.796   9.111
  443    HA   HIS  68           HA       HIS  68   9.853   2.680  10.773
  444   1HB   HIS  68          1HB       HIS  68  10.994   1.305   9.114
  445   2HB   HIS  68          2HB       HIS  68  12.543   1.618   9.870
  446    HD1  HIS  68           HD1      HIS  68   9.920   1.084  12.390
  447    HD2  HIS  68           HD2      HIS  68  12.520  -1.318  10.139
  448    HE1  HIS  68           HE1      HIS  68   9.958  -1.196  13.535
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -22.671   8.210   3.179
    2   2H    GLY   1          2H        GLY   1 -23.907   7.631   4.117
    3   3H    GLY   1          3H        GLY   1 -23.298   9.146   4.393
    4   1HA   GLY   1          1HA       GLY   1 -21.220   8.282   5.085
    5   2HA   GLY   1          2HA       GLY   1 -22.527   7.618   6.045
    6    H    LYS   2           H        LYS   2 -20.281   6.975   3.323
    7    HA   LYS   2           HA       LYS   2 -20.665   4.115   3.858
    8   1HB   LYS   2          1HB       LYS   2 -20.390   5.473   1.161
    9   2HB   LYS   2          2HB       LYS   2 -20.231   3.746   1.408
   10   1HG   LYS   2          1HG       LYS   2 -22.544   3.726   2.445
   11   2HG   LYS   2          2HG       LYS   2 -22.695   5.429   2.060
   12   1HD   LYS   2          1HD       LYS   2 -22.015   3.397  -0.098
   13   2HD   LYS   2          2HD       LYS   2 -23.677   3.681   0.376
   14   1HE   LYS   2          1HE       LYS   2 -21.751   5.848  -0.591
   15   2HE   LYS   2          2HE       LYS   2 -22.976   5.086  -1.585
   16   1HZ   LYS   2          1HZ       LYS   2 -23.763   7.188  -0.623
   17   2HZ   LYS   2          2HZ       LYS   2 -24.675   5.954  -0.076
   18    H    GLU   3           H        GLU   3 -18.855   3.335   4.784
   19    HA   GLU   3           HA       GLU   3 -16.383   4.722   4.125
   20   1HB   GLU   3          1HB       GLU   3 -17.235   3.095   6.551
   21   2HB   GLU   3          2HB       GLU   3 -15.562   3.535   6.271
   22   1HG   GLU   3          1HG       GLU   3 -16.413   5.270   7.671
   23   2HG   GLU   3          2HG       GLU   3 -16.370   5.979   6.068
   24    H    CYS   4           H        CYS   4 -14.649   3.619   3.204
   25    HA   CYS   4           HA       CYS   4 -15.200   0.805   2.600
   26   1HB   CYS   4          1HB       CYS   4 -13.736   2.869   0.942
   27   2HB   CYS   4          2HB       CYS   4 -13.819   1.160   0.561
   28    H    ASP   5           H        ASP   5 -13.559  -0.685   3.114
   29    HA   ASP   5           HA       ASP   5 -11.358   0.201   4.618
   30   1HB   ASP   5          1HB       ASP   5 -12.103  -2.434   3.291
   31   2HB   ASP   5          2HB       ASP   5 -10.578  -2.250   4.133
   32    H    CYS   6           H        CYS   6 -12.087  -0.319   1.198
   33    HA   CYS   6           HA       CYS   6  -9.245  -0.049   0.551
   34   1HB   CYS   6          1HB       CYS   6 -11.485  -1.027  -1.230
   35   2HB   CYS   6          2HB       CYS   6  -9.782  -0.957  -1.638
   36    H    SER   7           H        SER   7  -8.909   1.316  -1.558
   37    HA   SER   7           HA       SER   7 -10.437   3.708  -1.361
   38   1HB   SER   7          1HB       SER   7  -8.441   2.991  -3.543
   39   2HB   SER   7          2HB       SER   7  -8.910   4.593  -3.009
   40    HG   SER   7           HG       SER   7  -7.906   4.131  -0.931
   41    H    SER   8           H        SER   8 -10.543   0.704  -3.177
   42    HA   SER   8           HA       SER   8 -12.393   1.938  -5.055
   43   1HB   SER   8          1HB       SER   8 -10.102   0.034  -5.701
   44   2HB   SER   8          2HB       SER   8 -11.387   0.411  -6.832
   45    HG   SER   8           HG       SER   8  -9.519   2.289  -5.657
   46    HA   PRO   9           HA       PRO   9 -14.650  -1.811  -4.330
   47   1HB   PRO   9          1HB       PRO   9 -16.378  -1.723  -6.444
   48   2HB   PRO   9          2HB       PRO   9 -16.667  -0.880  -4.935
   49   1HG   PRO   9          1HG       PRO   9 -15.806   0.223  -7.538
   50   2HG   PRO   9          2HG       PRO   9 -16.500   1.063  -6.166
   51   1HD   PRO   9          1HD       PRO   9 -13.740   1.040  -6.948
   52   2HD   PRO   9          2HD       PRO   9 -14.416   1.782  -5.511
   53    H    GLU  10           H        GLU  10 -12.991  -1.098  -7.259
   54    HA   GLU  10           HA       GLU  10 -13.224  -3.718  -8.269
   55   1HB   GLU  10          1HB       GLU  10 -11.284  -1.456  -8.917
   56   2HB   GLU  10          2HB       GLU  10 -11.373  -2.951  -9.824
   57   1HG   GLU  10          1HG       GLU  10 -13.188  -2.231 -10.984
   58   2HG   GLU  10          2HG       GLU  10 -14.051  -1.845  -9.508
   59    H    ASN  11           H        ASN  11 -11.326  -2.229  -5.771
   60    HA   ASN  11           HA       ASN  11  -9.041  -3.720  -5.832
   61   1HB   ASN  11          1HB       ASN  11  -9.739  -1.823  -4.206
   62   2HB   ASN  11          2HB       ASN  11 -10.602  -3.043  -3.290
   63   1HD2  ASN  11          1HD2      ASN  11  -7.861  -1.345  -3.393
   64   2HD2  ASN  11          2HD2      ASN  11  -6.737  -2.416  -2.623
   65    HA   PRO  12           HA       PRO  12 -10.940  -7.620  -5.359
   66   1HB   PRO  12          1HB       PRO  12  -8.720  -9.207  -5.507
   67   2HB   PRO  12          2HB       PRO  12  -9.522  -8.547  -6.918
   68   1HG   PRO  12          1HG       PRO  12  -6.981  -7.703  -5.667
   69   2HG   PRO  12          2HG       PRO  12  -7.578  -7.360  -7.278
   70   1HD   PRO  12          1HD       PRO  12  -7.550  -5.566  -5.041
   71   2HD   PRO  12          2HD       PRO  12  -8.251  -5.263  -6.617
   72    H    CYS  13           H        CYS  13  -8.883  -6.258  -3.090
   73    HA   CYS  13           HA       CYS  13  -9.054  -8.379  -1.216
   74   1HB   CYS  13          1HB       CYS  13  -8.561  -5.444  -0.684
   75   2HB   CYS  13          2HB       CYS  13  -8.204  -6.784   0.387
   76    H    CYS  14           H        CYS  14 -11.122  -5.759  -2.363
   77    HA   CYS  14           HA       CYS  14 -12.800  -6.020   0.016
   78   1HB   CYS  14          1HB       CYS  14 -12.297  -3.793  -1.918
   79   2HB   CYS  14          2HB       CYS  14 -13.854  -3.881  -1.118
   80    H    ASP  15           H        ASP  15 -14.956  -6.807  -0.243
   81    HA   ASP  15           HA       ASP  15 -15.960  -7.642  -2.675
   82   1HB   ASP  15          1HB       ASP  15 -16.997  -8.257  -0.540
   83   2HB   ASP  15          2HB       ASP  15 -17.334  -6.580  -0.167
   84    H    ALA  16           H        ALA  16 -17.093  -6.508  -4.333
   85    HA   ALA  16           HA       ALA  16 -16.519  -3.756  -4.532
   86   1HB   ALA  16          1HB       ALA  16 -17.788  -3.952  -6.657
   87   2HB   ALA  16          2HB       ALA  16 -16.607  -5.271  -6.464
   88   3HB   ALA  16          3HB       ALA  16 -18.337  -5.573  -6.167
   89    H    ALA  17           H        ALA  17 -19.324  -5.659  -3.435
   90    HA   ALA  17           HA       ALA  17 -21.191  -3.546  -3.782
   91   1HB   ALA  17          1HB       ALA  17 -21.294  -6.122  -2.159
   92   2HB   ALA  17          2HB       ALA  17 -22.689  -5.080  -2.530
   93   3HB   ALA  17          3HB       ALA  17 -21.829  -5.918  -3.845
   94    H    THR  18           H        THR  18 -19.616  -5.056  -0.866
   95    HA   THR  18           HA       THR  18 -20.800  -2.960   0.762
   96    HB   THR  18           HB       THR  18 -19.777  -4.477   2.594
   97    HG1  THR  18           HG1      THR  18 -18.403  -5.964   1.704
   98   1HG2  THR  18          1HG2      THR  18 -21.565  -5.881   0.539
   99   2HG2  THR  18          2HG2      THR  18 -21.380  -6.328   2.252
  100   3HG2  THR  18          3HG2      THR  18 -22.165  -4.792   1.814
  101    H    CYS  19           H        CYS  19 -17.834  -3.596  -0.906
  102    HA   CYS  19           HA       CYS  19 -16.175  -2.193  -1.242
  103   1HB   CYS  19          1HB       CYS  19 -18.068  -0.456  -0.739
  104   2HB   CYS  19          2HB       CYS  19 -17.195  -0.206   0.760
  105    H    LYS  20           H        LYS  20 -16.292  -4.289   0.894
  106    HA   LYS  20           HA       LYS  20 -14.316  -3.202   2.749
  107   1HB   LYS  20          1HB       LYS  20 -16.974  -3.353   3.460
  108   2HB   LYS  20          2HB       LYS  20 -16.355  -4.886   4.040
  109   1HG   LYS  20          1HG       LYS  20 -14.689  -3.823   5.415
  110   2HG   LYS  20          2HG       LYS  20 -14.880  -2.284   4.598
  111   1HD   LYS  20          1HD       LYS  20 -17.249  -3.519   6.033
  112   2HD   LYS  20          2HD       LYS  20 -16.021  -2.680   6.958
  113   1HE   LYS  20          1HE       LYS  20 -17.269  -1.365   4.518
  114   2HE   LYS  20          2HE       LYS  20 -18.091  -1.322   6.065
  115   1HZ   LYS  20          1HZ       LYS  20 -15.311  -0.362   5.636
  116   2HZ   LYS  20          2HZ       LYS  20 -16.616   0.608   5.736
  117    H    LEU  21           H        LEU  21 -13.246  -5.025   4.026
  118    HA   LEU  21           HA       LEU  21 -12.191  -6.687   2.039
  119   1HB   LEU  21          1HB       LEU  21 -11.860  -6.829   5.040
  120   2HB   LEU  21          2HB       LEU  21 -10.835  -7.608   3.852
  121    HG   LEU  21           HG       LEU  21 -11.191  -4.617   3.835
  122   1HD1  LEU  21          1HD1      LEU  21 -10.574  -5.214   6.129
  123   2HD1  LEU  21          2HD1      LEU  21  -9.184  -6.141   5.517
  124   3HD1  LEU  21          3HD1      LEU  21  -9.247  -4.377   5.288
  125   1HD2  LEU  21          1HD2      LEU  21  -8.995  -4.640   2.780
  126   2HD2  LEU  21          2HD2      LEU  21  -8.914  -6.410   2.950
  127   3HD2  LEU  21          3HD2      LEU  21 -10.138  -5.674   1.888
  128    H    ARG  22           H        ARG  22 -12.926  -8.601   1.227
  129    HA   ARG  22           HA       ARG  22 -14.782 -10.159   2.664
  130   1HB   ARG  22          1HB       ARG  22 -12.917 -11.091   0.430
  131   2HB   ARG  22          2HB       ARG  22 -14.450 -11.810   0.886
  132   1HG   ARG  22          1HG       ARG  22 -15.565 -10.402  -0.495
  133   2HG   ARG  22          2HG       ARG  22 -14.912  -9.009   0.345
  134   1HD   ARG  22          1HD       ARG  22 -14.333  -9.056  -2.114
  135   2HD   ARG  22          2HD       ARG  22 -12.926  -8.982  -1.073
  136    HE   ARG  22           HE       ARG  22 -12.298 -11.120  -1.798
  137   1HH1  ARG  22          2HH2      ARG  22 -15.660 -10.520  -2.738
  138   2HH1  ARG  22          1HH2      ARG  22 -15.810 -12.005  -3.618
  139   1HH2  ARG  22          1HH1      ARG  22 -13.928 -13.483  -3.754
  140    HA   PRO  23           HA       PRO  23 -11.260 -13.128   2.811
  141   1HB   PRO  23          1HB       PRO  23  -8.654 -12.489   2.291
  142   2HB   PRO  23          2HB       PRO  23  -9.791 -12.964   1.046
  143   1HG   PRO  23          1HG       PRO  23  -8.747 -10.269   1.671
  144   2HG   PRO  23          2HG       PRO  23  -9.528 -10.831   0.206
  145   1HD   PRO  23          1HD       PRO  23 -10.706  -9.227   2.271
  146   2HD   PRO  23          2HD       PRO  23 -11.517  -9.886   0.864
  147    H    GLY  24           H        GLY  24  -9.207 -14.003   4.103
  148   1HA   GLY  24          1HA       GLY  24  -9.200 -12.830   6.699
  149   2HA   GLY  24          2HA       GLY  24  -8.104 -14.045   6.071
  150    H    ALA  25           H        ALA  25  -8.858 -10.500   5.685
  151    HA   ALA  25           HA       ALA  25  -6.008 -10.133   5.056
  152   1HB   ALA  25          1HB       ALA  25  -8.523  -9.126   3.722
  153   2HB   ALA  25          2HB       ALA  25  -7.020  -8.179   3.626
  154   3HB   ALA  25          3HB       ALA  25  -7.066  -9.841   2.991
  155    H    GLN  26           H        GLN  26  -5.285  -7.798   5.434
  156    HA   GLN  26           HA       GLN  26  -6.569  -6.899   7.886
  157   1HB   GLN  26          1HB       GLN  26  -3.730  -6.609   6.833
  158   2HB   GLN  26          2HB       GLN  26  -4.317  -5.656   8.183
  159   1HG   GLN  26          1HG       GLN  26  -4.945  -7.794   9.374
  160   2HG   GLN  26          2HG       GLN  26  -4.258  -8.708   8.046
  161   1HE2  GLN  26          1HE2      GLN  26  -1.984  -7.950   7.400
  162   2HE2  GLN  26          2HE2      GLN  26  -0.848  -7.727   8.688
  163    H    CYS  27           H        CYS  27  -5.286  -5.861   4.686
  164    HA   CYS  27           HA       CYS  27  -6.857  -3.428   4.953
  165   1HB   CYS  27          1HB       CYS  27  -4.981  -2.080   4.048
  166   2HB   CYS  27          2HB       CYS  27  -4.742  -2.657   5.686
  167    H    GLY  28           H        GLY  28  -6.753  -2.267   2.626
  168   1HA   GLY  28          1HA       GLY  28  -6.493  -4.336   0.524
  169   2HA   GLY  28          2HA       GLY  28  -7.697  -3.063   0.502
  170    H    GLU  29           H        GLU  29  -6.203  -0.805   1.351
  171    HA   GLU  29           HA       GLU  29  -4.503  -0.587  -1.012
  172   1HB   GLU  29          1HB       GLU  29  -6.951   0.804  -0.327
  173   2HB   GLU  29          2HB       GLU  29  -5.641   1.965  -0.394
  174   1HG   GLU  29          1HG       GLU  29  -5.844  -0.088  -2.601
  175   2HG   GLU  29          2HG       GLU  29  -6.983   1.245  -2.603
  176    H    GLY  30           H        GLY  30  -3.101   1.563  -0.866
  177   1HA   GLY  30          1HA       GLY  30  -1.869   2.940   0.694
  178   2HA   GLY  30          2HA       GLY  30  -1.987   1.649   1.873
  179    H    LEU  31           H        LEU  31   0.453   2.963   0.739
  180    HA   LEU  31           HA       LEU  31   1.465   1.363  -1.357
  181   1HB   LEU  31          1HB       LEU  31   2.729   3.366   0.511
  182   2HB   LEU  31          2HB       LEU  31   3.607   2.568  -0.779
  183    HG   LEU  31           HG       LEU  31   1.087   4.126  -1.344
  184   1HD1  LEU  31          1HD1      LEU  31   3.901   5.236  -1.163
  185   2HD1  LEU  31          2HD1      LEU  31   2.500   6.086  -1.859
  186   3HD1  LEU  31          3HD1      LEU  31   2.513   5.660  -0.131
  187   1HD2  LEU  31          1HD2      LEU  31   2.136   4.379  -3.574
  188   2HD2  LEU  31          2HD2      LEU  31   3.479   3.345  -3.030
  189   3HD2  LEU  31          3HD2      LEU  31   1.830   2.683  -3.129
  190    H    CYS  32           H        CYS  32   1.345   1.054   2.141
  191    HA   CYS  32           HA       CYS  32   3.528  -0.874   2.069
  192   1HB   CYS  32          1HB       CYS  32   3.593   0.974   3.729
  193   2HB   CYS  32          2HB       CYS  32   2.124   0.349   4.453
  194    H    CYS  33           H        CYS  33   0.339  -0.861   1.370
  195    HA   CYS  33           HA       CYS  33  -0.312  -3.245   2.897
  196   1HB   CYS  33          1HB       CYS  33  -1.971  -1.403   2.642
  197   2HB   CYS  33          2HB       CYS  33  -2.007  -1.707   0.917
  198    H    GLU  34           H        GLU  34   0.562  -5.109   2.041
  199    HA   GLU  34           HA       GLU  34   0.293  -5.407  -0.845
  200   1HB   GLU  34          1HB       GLU  34   2.618  -6.381   0.872
  201   2HB   GLU  34          2HB       GLU  34   2.414  -6.735  -0.832
  202   1HG   GLU  34          1HG       GLU  34   2.460  -4.275  -1.337
  203   2HG   GLU  34          2HG       GLU  34   2.695  -3.937   0.365
  204    H    GLN  35           H        GLN  35  -0.536  -7.398  -1.556
  205    HA   GLN  35           HA       GLN  35  -1.749  -9.193  -1.419
  206   1HB   GLN  35          1HB       GLN  35   0.535 -10.011  -0.430
  207   2HB   GLN  35          2HB       GLN  35  -0.302 -10.042   1.109
  208   1HG   GLN  35          1HG       GLN  35  -0.506 -12.255   0.165
  209   2HG   GLN  35          2HG       GLN  35  -2.086 -11.507   0.038
  210   1HE2  GLN  35          1HE2      GLN  35  -3.027 -11.269  -1.878
  211   2HE2  GLN  35          2HE2      GLN  35  -2.321 -11.641  -3.415
  212    H    CYS  36           H        CYS  36  -2.713  -6.778  -0.095
  213    HA   CYS  36           HA       CYS  36  -4.468  -6.156   1.064
  214   1HB   CYS  36          1HB       CYS  36  -5.188  -9.054   1.499
  215   2HB   CYS  36          2HB       CYS  36  -6.253  -7.664   1.549
  216    H    LYS  37           H        LYS  37  -1.779  -6.896   2.279
  217    HA   LYS  37           HA       LYS  37  -2.673  -7.043   5.048
  218   1HB   LYS  37          1HB       LYS  37  -0.781  -8.981   3.712
  219   2HB   LYS  37          2HB       LYS  37  -0.716  -8.675   5.436
  220   1HG   LYS  37          1HG       LYS  37  -3.143  -9.281   5.629
  221   2HG   LYS  37          2HG       LYS  37  -3.195  -9.602   3.907
  222   1HD   LYS  37          1HD       LYS  37  -1.455 -11.377   4.181
  223   2HD   LYS  37          2HD       LYS  37  -1.387 -11.050   5.901
  224   1HE   LYS  37          1HE       LYS  37  -3.785 -11.686   6.136
  225   2HE   LYS  37          2HE       LYS  37  -3.895 -11.960   4.408
  226   1HZ   LYS  37          1HZ       LYS  37  -3.477 -14.026   5.664
  227   2HZ   LYS  37          2HZ       LYS  37  -2.264 -13.737   4.618
  228    H    PHE  38           H        PHE  38  -0.779  -6.480   6.562
  229    HA   PHE  38           HA       PHE  38   0.502  -4.157   5.494
  230   1HB   PHE  38          1HB       PHE  38   0.405  -5.703   8.135
  231   2HB   PHE  38          2HB       PHE  38   1.505  -4.351   7.957
  232    HD1  PHE  38           HD1      PHE  38  -2.097  -5.071   7.237
  233    HD2  PHE  38           HD2      PHE  38   0.761  -2.349   8.799
  234    HE1  PHE  38           HE1      PHE  38  -3.943  -3.487   7.855
  235    HE2  PHE  38           HE2      PHE  38  -1.086  -0.765   9.416
  236    HZ   PHE  38           HZ       PHE  38  -3.415  -1.353   8.936
  237    H    SER  39           H        SER  39   2.435  -4.130   4.456
  238    HA   SER  39           HA       SER  39   3.904  -6.449   4.124
  239   1HB   SER  39          1HB       SER  39   4.266  -4.944   2.404
  240   2HB   SER  39          2HB       SER  39   4.245  -3.549   3.466
  241    HG   SER  39           HG       SER  39   6.379  -3.977   4.117
  242    H    ARG  40           H        ARG  40   6.349  -6.632   4.679
  243    HA   ARG  40           HA       ARG  40   6.538  -6.577   7.455
  244   1HB   ARG  40          1HB       ARG  40   8.812  -7.464   7.101
  245   2HB   ARG  40          2HB       ARG  40   7.704  -8.237   5.985
  246   1HG   ARG  40          1HG       ARG  40   8.420  -6.750   4.158
  247   2HG   ARG  40          2HG       ARG  40   9.410  -5.811   5.257
  248   1HD   ARG  40          1HD       ARG  40  10.838  -7.812   5.701
  249   2HD   ARG  40          2HD       ARG  40   9.835  -8.775   4.636
  250    HE   ARG  40           HE       ARG  40  10.846  -7.759   2.772
  251   1HH1  ARG  40          2HH2      ARG  40  11.578  -5.846   5.662
  252   2HH1  ARG  40          1HH2      ARG  40  12.824  -4.924   4.888
  253   1HH2  ARG  40          1HH1      ARG  40  13.295  -5.304   2.569
  254    H    ALA  41           H        ALA  41   8.207  -5.416   8.775
  255    HA   ALA  41           HA       ALA  41   8.438  -2.687   8.118
  256   1HB   ALA  41          1HB       ALA  41   9.942  -4.372  10.161
  257   2HB   ALA  41          2HB       ALA  41   9.808  -2.596  10.157
  258   3HB   ALA  41          3HB       ALA  41   8.361  -3.599  10.424
  259    H    GLY  42           H        GLY  42  10.026  -1.552   7.041
  260   1HA   GLY  42          1HA       GLY  42  12.334  -1.132   6.782
  261   2HA   GLY  42          2HA       GLY  42  12.654  -2.854   6.789
  262    H    LYS  43           H        LYS  43   9.957  -2.901   5.000
  263    HA   LYS  43           HA       LYS  43  11.351  -3.017   2.529
  264   1HB   LYS  43          1HB       LYS  43   9.473  -4.503   3.096
  265   2HB   LYS  43          2HB       LYS  43   8.384  -3.132   3.149
  266   1HG   LYS  43          1HG       LYS  43   8.057  -3.935   0.961
  267   2HG   LYS  43          2HG       LYS  43   9.212  -2.642   0.707
  268   1HD   LYS  43          1HD       LYS  43  10.211  -4.380  -0.505
  269   2HD   LYS  43          2HD       LYS  43  11.031  -4.531   1.036
  270   1HE   LYS  43          1HE       LYS  43   9.230  -6.237   1.710
  271   2HE   LYS  43          2HE       LYS  43   8.664  -6.188   0.053
  272   1HZ   LYS  43          1HZ       LYS  43  10.814  -6.965  -0.693
  273   2HZ   LYS  43          2HZ       LYS  43  11.458  -6.867   0.800
  274    H    ILE  44           H        ILE  44  11.971  -1.314   1.323
  275    HA   ILE  44           HA       ILE  44  11.162   1.294   1.851
  276    HB   ILE  44           HB       ILE  44  12.668  -0.115  -0.288
  277   1HG1  ILE  44          1HG1      ILE  44  14.276   1.809   0.359
  278   2HG1  ILE  44          2HG1      ILE  44  13.192   2.085   1.709
  279   1HG2  ILE  44          1HG2      ILE  44  12.952   2.093  -1.481
  280   2HG2  ILE  44          2HG2      ILE  44  11.379   1.289  -1.698
  281   3HG2  ILE  44          3HG2      ILE  44  11.527   2.669  -0.585
  282   1HD1  ILE  44          1HD1      ILE  44  14.383  -0.653   1.082
  283   2HD1  ILE  44          2HD1      ILE  44  15.140   0.514   2.194
  284   3HD1  ILE  44          3HD1      ILE  44  13.533  -0.156   2.565
  285    H    CYS  45           H        CYS  45   9.278   2.333   1.470
  286    HA   CYS  45           HA       CYS  45   7.428   0.929  -0.308
  287   1HB   CYS  45          1HB       CYS  45   5.697   2.284   1.025
  288   2HB   CYS  45          2HB       CYS  45   6.443   0.883   1.770
  289    H    ARG  46           H        ARG  46   9.413   3.721   0.103
  290    HA   ARG  46           HA       ARG  46   8.232   4.797  -2.280
  291   1HB   ARG  46          1HB       ARG  46   7.270   5.956  -0.110
  292   2HB   ARG  46          2HB       ARG  46   8.843   6.720  -0.004
  293   1HG   ARG  46          1HG       ARG  46   8.577   7.680  -2.267
  294   2HG   ARG  46          2HG       ARG  46   7.059   6.831  -2.482
  295   1HD   ARG  46          1HD       ARG  46   7.517   8.824  -0.215
  296   2HD   ARG  46          2HD       ARG  46   6.882   9.302  -1.776
  297    HE   ARG  46           HE       ARG  46   4.978   7.712  -1.372
  298   1HH1  ARG  46          2HH2      ARG  46   7.016   7.858   1.465
  299   2HH1  ARG  46          1HH2      ARG  46   5.725   8.187   2.573
  300   1HH2  ARG  46          1HH1      ARG  46   3.462   8.066   1.758
  301    H    ILE  47           H        ILE  47   9.803   5.854  -3.604
  302    HA   ILE  47           HA       ILE  47  12.537   5.618  -2.673
  303    HB   ILE  47           HB       ILE  47  11.546   6.550  -5.363
  304   1HG1  ILE  47          1HG1      ILE  47  10.484   4.435  -5.011
  305   2HG1  ILE  47          2HG1      ILE  47  11.835   4.190  -6.099
  306   1HG2  ILE  47          1HG2      ILE  47  14.167   5.330  -4.454
  307   2HG2  ILE  47          2HG2      ILE  47  13.737   5.746  -6.130
  308   3HG2  ILE  47          3HG2      ILE  47  13.886   7.029  -4.906
  309   1HD1  ILE  47          1HD1      ILE  47  11.851   2.404  -4.440
  310   2HD1  ILE  47          2HD1      ILE  47  13.239   3.471  -4.118
  311   3HD1  ILE  47          3HD1      ILE  47  11.778   3.584  -3.108
  312    HA   PRO  48           HA       PRO  48  12.835   9.923  -1.877
  313   1HB   PRO  48          1HB       PRO  48  15.537  10.045  -1.484
  314   2HB   PRO  48          2HB       PRO  48  14.402   9.628  -0.216
  315   1HG   PRO  48          1HG       PRO  48  16.225   7.858  -1.728
  316   2HG   PRO  48          2HG       PRO  48  15.415   7.555  -0.205
  317   1HD   PRO  48          1HD       PRO  48  14.680   6.517  -2.775
  318   2HD   PRO  48          2HD       PRO  48  13.805   6.309  -1.272
  319    H    ARG  49           H        ARG  49  14.044  11.898  -2.691
  320    HA   ARG  49           HA       ARG  49  14.980  11.394  -5.362
  321   1HB   ARG  49          1HB       ARG  49  13.398  13.177  -6.278
  322   2HB   ARG  49          2HB       ARG  49  12.615  11.680  -5.810
  323   1HG   ARG  49          1HG       ARG  49  11.823  12.637  -3.725
  324   2HG   ARG  49          2HG       ARG  49  12.841  14.051  -3.908
  325   1HD   ARG  49          1HD       ARG  49  11.543  14.762  -5.906
  326   2HD   ARG  49          2HD       ARG  49  10.560  13.314  -5.807
  327    HE   ARG  49           HE       ARG  49  10.429  14.630  -3.278
  328   1HH1  ARG  49          2HH2      ARG  49   9.369  15.137  -6.621
  329   2HH1  ARG  49          1HH2      ARG  49   8.007  16.109  -6.173
  330   1HH2  ARG  49          1HH1      ARG  49   7.590  16.547  -3.854
  331    H    GLY  50           H        GLY  50  16.173  12.335  -2.821
  332   1HA   GLY  50          1HA       GLY  50  17.498  14.676  -3.723
  333   2HA   GLY  50          2HA       GLY  50  16.285  15.090  -2.526
  334    H    ASP  51           H        ASP  51  17.322  15.428  -0.601
  335    HA   ASP  51           HA       ASP  51  19.540  13.675   0.015
  336   1HB   ASP  51          1HB       ASP  51  19.516  16.304   0.200
  337   2HB   ASP  51          2HB       ASP  51  18.609  16.042   1.677
  338    H    MET  52           H        MET  52  16.341  13.384   0.248
  339    HA   MET  52           HA       MET  52  16.051  13.009   3.066
  340   1HB   MET  52          1HB       MET  52  14.297  12.606   0.599
  341   2HB   MET  52          2HB       MET  52  13.761  12.022   2.162
  342   1HG   MET  52          1HG       MET  52  14.666  14.905   1.748
  343   2HG   MET  52          2HG       MET  52  13.008  14.408   1.477
  344   1HE   MET  52          1HE       MET  52  14.573  16.446   3.705
  345   2HE   MET  52          2HE       MET  52  14.727  15.708   5.317
  346   3HE   MET  52          3HE       MET  52  15.790  15.179   3.990
  347    HA   PRO  53           HA       PRO  53  16.880   8.731   3.111
  348   1HB   PRO  53          1HB       PRO  53  15.339   7.868   5.197
  349   2HB   PRO  53          2HB       PRO  53  16.890   8.654   5.413
  350   1HG   PRO  53          1HG       PRO  53  14.180   9.756   5.839
  351   2HG   PRO  53          2HG       PRO  53  15.715  10.353   6.438
  352   1HD   PRO  53          1HD       PRO  53  14.189  11.424   4.258
  353   2HD   PRO  53          2HD       PRO  53  15.776  11.948   4.783
  354    H    ASP  54           H        ASP  54  16.139   6.534   2.698
  355    HA   ASP  54           HA       ASP  54  13.928   6.512   0.998
  356   1HB   ASP  54          1HB       ASP  54  14.141   3.979   1.280
  357   2HB   ASP  54          2HB       ASP  54  15.584   4.801   0.722
  358    H    ASP  55           H        ASP  55  11.737   6.347   1.538
  359    HA   ASP  55           HA       ASP  55  11.027   6.218   4.266
  360   1HB   ASP  55          1HB       ASP  55   9.859   7.310   2.089
  361   2HB   ASP  55          2HB       ASP  55   9.017   5.773   2.063
  362    H    ARG  56           H        ARG  56  10.451   4.354   5.434
  363    HA   ARG  56           HA       ARG  56  10.461   1.915   3.850
  364   1HB   ARG  56          1HB       ARG  56  11.290   2.428   6.748
  365   2HB   ARG  56          2HB       ARG  56  11.198   0.824   6.048
  366   1HG   ARG  56          1HG       ARG  56  12.980   1.246   4.520
  367   2HG   ARG  56          2HG       ARG  56  12.831   2.986   4.679
  368   1HD   ARG  56          1HD       ARG  56  13.575   2.766   7.104
  369   2HD   ARG  56          2HD       ARG  56  13.855   1.060   6.819
  370    HE   ARG  56           HE       ARG  56  15.317   2.152   4.799
  371   1HH1  ARG  56          2HH2      ARG  56  15.346   2.558   8.310
  372   2HH1  ARG  56          1HH2      ARG  56  16.795   3.505   8.321
  373   1HH2  ARG  56          1HH1      ARG  56  18.053   3.706   6.280
  374    H    CYS  57           H        CYS  57   8.985   0.142   4.553
  375    HA   CYS  57           HA       CYS  57   6.536   0.917   5.657
  376   1HB   CYS  57          1HB       CYS  57   7.874  -1.660   4.996
  377   2HB   CYS  57          2HB       CYS  57   6.521  -1.720   6.109
  378    H    THR  58           H        THR  58   5.906   1.142   7.807
  379    HA   THR  58           HA       THR  58   7.818   0.644   9.896
  380    HB   THR  58           HB       THR  58   5.673   1.331  11.256
  381    HG1  THR  58           HG1      THR  58   4.295   0.754   9.359
  382   1HG2  THR  58          1HG2      THR  58   6.784   3.178   9.076
  383   2HG2  THR  58          2HG2      THR  58   5.800   3.718  10.458
  384   3HG2  THR  58          3HG2      THR  58   7.416   3.024  10.732
  385    H    GLY  59           H        GLY  59   5.135  -1.092   8.358
  386   1HA   GLY  59          1HA       GLY  59   4.632  -3.333   8.725
  387   2HA   GLY  59          2HA       GLY  59   5.491  -3.297  10.252
  388    H    GLN  60           H        GLN  60   4.165  -0.619  10.971
  389    HA   GLN  60           HA       GLN  60   1.703  -1.859  11.888
  390   1HB   GLN  60          1HB       GLN  60   3.482   0.339  12.965
  391   2HB   GLN  60          2HB       GLN  60   1.804   0.267  13.468
  392   1HG   GLN  60          1HG       GLN  60   2.122  -2.091  14.224
  393   2HG   GLN  60          2HG       GLN  60   3.791  -2.043  13.698
  394   1HE2  GLN  60          1HE2      GLN  60   1.422  -0.599  15.873
  395   2HE2  GLN  60          2HE2      GLN  60   2.522  -0.069  17.101
  396    H    SER  61           H        SER  61   2.342  -0.482   9.177
  397    HA   SER  61           HA       SER  61   0.105   1.357   9.292
  398   1HB   SER  61          1HB       SER  61   2.711   2.047   7.871
  399   2HB   SER  61          2HB       SER  61   1.302   3.075   8.040
  400    HG   SER  61           HG       SER  61   3.401   2.697   9.786
  401    H    ALA  62           H        ALA  62  -1.238   1.188   7.472
  402    HA   ALA  62           HA       ALA  62  -0.490  -0.663   5.402
  403   1HB   ALA  62          1HB       ALA  62  -2.898   1.164   5.773
  404   2HB   ALA  62          2HB       ALA  62  -2.740  -0.088   4.518
  405   3HB   ALA  62          3HB       ALA  62  -2.795  -0.552   6.236
  406    H    ASP  63           H        ASP  63  -0.421   2.823   6.023
  407    HA   ASP  63           HA       ASP  63   0.137   3.321   3.236
  408   1HB   ASP  63          1HB       ASP  63  -1.323   4.925   4.345
  409   2HB   ASP  63          2HB       ASP  63  -0.201   5.116   5.677
  410    H    CYS  64           H        CYS  64   2.210   4.427   2.618
  411    HA   CYS  64           HA       CYS  64   4.423   3.893   4.335
  412   1HB   CYS  64          1HB       CYS  64   4.421   3.913   1.787
  413   2HB   CYS  64          2HB       CYS  64   4.407   5.662   1.891
  414    HA   PRO  65           HA       PRO  65   3.574   7.600   6.529
  415   1HB   PRO  65          1HB       PRO  65   5.384   7.255   8.548
  416   2HB   PRO  65          2HB       PRO  65   3.783   6.542   8.564
  417   1HG   PRO  65          1HG       PRO  65   6.387   5.240   8.048
  418   2HG   PRO  65          2HG       PRO  65   4.858   4.504   8.485
  419   1HD   PRO  65          1HD       PRO  65   6.053   4.559   5.878
  420   2HD   PRO  65          2HD       PRO  65   4.473   3.925   6.294
  421    H    ARG  66           H        ARG  66   7.058   7.008   6.850
  422    HA   ARG  66           HA       ARG  66   7.598   9.497   5.626
  423   1HB   ARG  66          1HB       ARG  66   6.547   9.819   8.116
  424   2HB   ARG  66          2HB       ARG  66   8.218   9.552   8.572
  425   1HG   ARG  66          1HG       ARG  66   7.319  11.626   6.517
  426   2HG   ARG  66          2HG       ARG  66   7.627  11.988   8.203
  427   1HD   ARG  66          1HD       ARG  66   9.989  10.968   7.832
  428   2HD   ARG  66          2HD       ARG  66   9.630  11.023   6.117
  429    HE   ARG  66           HE       ARG  66   9.026  13.590   7.175
  430   1HH1  ARG  66          2HH2      ARG  66  11.863  11.538   6.630
  431   2HH1  ARG  66          1HH2      ARG  66  12.964  12.872   6.539
  432   1HH2  ARG  66          1HH1      ARG  66  12.120  15.107   6.743
  433    H    TYR  67           H        TYR  67   8.709   7.342   8.352
  434    HA   TYR  67           HA       TYR  67  10.819   6.315   6.750
  435   1HB   TYR  67          1HB       TYR  67  11.721   8.574   7.465
  436   2HB   TYR  67          2HB       TYR  67  11.345   8.197   9.134
  437    HD1  TYR  67           HD1      TYR  67  13.099   7.507  10.482
  438    HD2  TYR  67           HD2      TYR  67  13.284   6.695   6.285
  439    HE1  TYR  67           HE1      TYR  67  15.417   6.504  10.771
  440    HE2  TYR  67           HE2      TYR  67  15.601   5.694   6.588
  441    HH   TYR  67           HH       TYR  67  17.150   5.670   9.786
  442    H    HIS  68           H        HIS  68  11.998   4.572   7.862
  443    HA   HIS  68           HA       HIS  68  12.266   2.944   9.307
  444   1HB   HIS  68          1HB       HIS  68  12.375   5.051  10.873
  445   2HB   HIS  68          2HB       HIS  68  10.848   4.449  11.486
  446    HD1  HIS  68           HD1      HIS  68  11.086   1.609  12.019
  447    HD2  HIS  68           HD2      HIS  68  14.441   4.103  12.364
  448    HE1  HIS  68           HE1      HIS  68  12.741   0.377  13.519
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -20.268   0.185  -0.988
    2   2H    GLY   1          2H        GLY   1 -19.763  -0.739   0.290
    3   3H    GLY   1          3H        GLY   1 -20.966  -1.290  -0.706
    4   1HA   GLY   1          1HA       GLY   1 -22.545   0.063   0.129
    5   2HA   GLY   1          2HA       GLY   1 -21.593  -0.342   1.543
    6    H    LYS   2           H        LYS   2 -22.045   1.602   2.682
    7    HA   LYS   2           HA       LYS   2 -21.213   4.070   1.355
    8   1HB   LYS   2          1HB       LYS   2 -22.920   3.546   3.804
    9   2HB   LYS   2          2HB       LYS   2 -22.407   5.144   3.301
   10   1HG   LYS   2          1HG       LYS   2 -23.750   3.333   1.280
   11   2HG   LYS   2          2HG       LYS   2 -24.737   4.148   2.476
   12   1HD   LYS   2          1HD       LYS   2 -22.695   5.741   0.901
   13   2HD   LYS   2          2HD       LYS   2 -24.223   5.322   0.150
   14   1HE   LYS   2          1HE       LYS   2 -24.150   6.614   2.902
   15   2HE   LYS   2          2HE       LYS   2 -24.055   7.591   1.450
   16   1HZ   LYS   2          1HZ       LYS   2 -26.275   5.771   2.199
   17   2HZ   LYS   2          2HZ       LYS   2 -26.349   7.390   2.040
   18    H    GLU   3           H        GLU   3 -19.571   1.728   2.707
   19    HA   GLU   3           HA       GLU   3 -17.676   3.609   3.728
   20   1HB   GLU   3          1HB       GLU   3 -18.957   3.023   5.771
   21   2HB   GLU   3          2HB       GLU   3 -18.675   1.319   5.479
   22   1HG   GLU   3          1HG       GLU   3 -17.066   2.178   7.144
   23   2HG   GLU   3          2HG       GLU   3 -16.223   1.661   5.697
   24    H    CYS   4           H        CYS   4 -15.503   2.841   3.523
   25    HA   CYS   4           HA       CYS   4 -15.362   0.292   2.086
   26   1HB   CYS   4          1HB       CYS   4 -13.937   2.869   1.392
   27   2HB   CYS   4          2HB       CYS   4 -13.643   1.318   0.631
   28    H    ASP   5           H        ASP   5 -13.680  -1.074   2.812
   29    HA   ASP   5           HA       ASP   5 -11.799  -0.037   4.685
   30   1HB   ASP   5          1HB       ASP   5 -12.206  -2.678   3.249
   31   2HB   ASP   5          2HB       ASP   5 -10.701  -2.380   4.096
   32    H    CYS   6           H        CYS   6 -12.193  -0.390   1.208
   33    HA   CYS   6           HA       CYS   6  -9.328  -0.029   0.782
   34   1HB   CYS   6          1HB       CYS   6 -11.501  -0.773  -1.188
   35   2HB   CYS   6          2HB       CYS   6  -9.796  -0.610  -1.560
   36    H    SER   7           H        SER   7  -8.975   1.481  -1.326
   37    HA   SER   7           HA       SER   7 -10.458   3.895  -0.837
   38   1HB   SER   7          1HB       SER   7  -8.202   3.352  -2.819
   39   2HB   SER   7          2HB       SER   7  -8.832   4.931  -2.389
   40    HG   SER   7           HG       SER   7  -6.934   4.533  -1.174
   41    H    SER   8           H        SER   8 -10.657   1.095  -2.824
   42    HA   SER   8           HA       SER   8 -12.309   2.512  -4.732
   43   1HB   SER   8          1HB       SER   8  -9.971   0.704  -5.492
   44   2HB   SER   8          2HB       SER   8 -11.173   1.289  -6.625
   45    HG   SER   8           HG       SER   8 -10.520   3.488  -6.087
   46    HA   PRO   9           HA       PRO   9 -14.510  -1.316  -4.503
   47   1HB   PRO   9          1HB       PRO   9 -16.112  -1.078  -6.705
   48   2HB   PRO   9          2HB       PRO   9 -16.500  -0.358  -5.155
   49   1HG   PRO   9          1HG       PRO   9 -15.501   0.953  -7.610
   50   2HG   PRO   9          2HG       PRO   9 -16.286   1.677  -6.220
   51   1HD   PRO   9          1HD       PRO   9 -13.485   1.739  -6.833
   52   2HD   PRO   9          2HD       PRO   9 -14.255   2.361  -5.388
   53    H    GLU  10           H        GLU  10 -12.657  -0.365  -7.233
   54    HA   GLU  10           HA       GLU  10 -12.819  -2.950  -8.412
   55   1HB   GLU  10          1HB       GLU  10 -11.001  -0.571  -8.994
   56   2HB   GLU  10          2HB       GLU  10 -11.075  -2.021  -9.975
   57   1HG   GLU  10          1HG       GLU  10 -13.443  -0.177  -9.403
   58   2HG   GLU  10          2HG       GLU  10 -12.505  -0.172 -10.884
   59    H    ASN  11           H        ASN  11 -11.105  -1.559  -5.785
   60    HA   ASN  11           HA       ASN  11  -8.694  -2.838  -5.896
   61   1HB   ASN  11          1HB       ASN  11  -9.571  -1.190  -4.118
   62   2HB   ASN  11          2HB       ASN  11 -10.427  -2.536  -3.390
   63   1HD2  ASN  11          1HD2      ASN  11  -7.731  -0.727  -3.213
   64   2HD2  ASN  11          2HD2      ASN  11  -6.620  -1.819  -2.455
   65    HA   PRO  12           HA       PRO  12 -10.187  -6.926  -5.893
   66   1HB   PRO  12          1HB       PRO  12  -7.810  -8.275  -5.937
   67   2HB   PRO  12          2HB       PRO  12  -8.537  -7.567  -7.366
   68   1HG   PRO  12          1HG       PRO  12  -6.229  -6.604  -5.792
   69   2HG   PRO  12          2HG       PRO  12  -6.701  -6.173  -7.422
   70   1HD   PRO  12          1HD       PRO  12  -7.075  -4.596  -5.056
   71   2HD   PRO  12          2HD       PRO  12  -7.649  -4.219  -6.668
   72    H    CYS  13           H        CYS  13  -8.404  -5.632  -3.337
   73    HA   CYS  13           HA       CYS  13  -8.547  -7.941  -1.696
   74   1HB   CYS  13          1HB       CYS  13  -8.223  -5.046  -0.885
   75   2HB   CYS  13          2HB       CYS  13  -7.900  -6.450   0.112
   76    H    CYS  14           H        CYS  14 -10.700  -5.337  -2.700
   77    HA   CYS  14           HA       CYS  14 -12.568  -6.061  -0.572
   78   1HB   CYS  14          1HB       CYS  14 -12.249  -3.583  -2.249
   79   2HB   CYS  14          2HB       CYS  14 -13.761  -3.938  -1.439
   80    H    ASP  15           H        ASP  15 -14.768  -6.697  -1.201
   81    HA   ASP  15           HA       ASP  15 -15.188  -7.289  -3.951
   82   1HB   ASP  15          1HB       ASP  15 -16.273  -8.506  -1.998
   83   2HB   ASP  15          2HB       ASP  15 -17.207  -7.060  -1.672
   84    H    ALA  16           H        ALA  16 -16.819  -6.140  -5.312
   85    HA   ALA  16           HA       ALA  16 -16.394  -3.353  -5.077
   86   1HB   ALA  16          1HB       ALA  16 -18.153  -4.991  -6.949
   87   2HB   ALA  16          2HB       ALA  16 -17.712  -3.281  -7.177
   88   3HB   ALA  16          3HB       ALA  16 -16.454  -4.539  -7.231
   89    H    ALA  17           H        ALA  17 -18.997  -5.597  -4.176
   90    HA   ALA  17           HA       ALA  17 -21.042  -3.622  -4.239
   91   1HB   ALA  17          1HB       ALA  17 -22.418  -5.411  -3.301
   92   2HB   ALA  17          2HB       ALA  17 -21.397  -6.063  -4.605
   93   3HB   ALA  17          3HB       ALA  17 -20.963  -6.357  -2.904
   94    H    THR  18           H        THR  18 -19.091  -5.237  -1.649
   95    HA   THR  18           HA       THR  18 -20.379  -3.623   0.373
   96    HB   THR  18           HB       THR  18 -18.923  -5.001   1.874
   97    HG1  THR  18           HG1      THR  18 -17.385  -6.374   0.791
   98   1HG2  THR  18          1HG2      THR  18 -19.814  -7.187   1.374
   99   2HG2  THR  18          2HG2      THR  18 -21.047  -6.043   0.790
  100   3HG2  THR  18          3HG2      THR  18 -19.933  -6.817  -0.363
  101    H    CYS  19           H        CYS  19 -17.423  -3.571  -1.579
  102    HA   CYS  19           HA       CYS  19 -15.734  -2.166  -1.650
  103   1HB   CYS  19          1HB       CYS  19 -17.674  -0.464  -1.133
  104   2HB   CYS  19          2HB       CYS  19 -16.878  -0.333   0.422
  105    H    LYS  20           H        LYS  20 -16.089  -4.422   0.321
  106    HA   LYS  20           HA       LYS  20 -14.351  -3.454   2.473
  107   1HB   LYS  20          1HB       LYS  20 -17.054  -3.887   2.809
  108   2HB   LYS  20          2HB       LYS  20 -16.373  -5.426   3.296
  109   1HG   LYS  20          1HG       LYS  20 -16.283  -4.215   5.306
  110   2HG   LYS  20          2HG       LYS  20 -14.663  -3.979   4.681
  111   1HD   LYS  20          1HD       LYS  20 -15.214  -1.773   5.169
  112   2HD   LYS  20          2HD       LYS  20 -15.750  -1.844   3.503
  113   1HE   LYS  20          1HE       LYS  20 -17.660  -2.553   5.756
  114   2HE   LYS  20          2HE       LYS  20 -17.384  -0.877   5.327
  115   1HZ   LYS  20          1HZ       LYS  20 -19.256  -1.852   4.088
  116   2HZ   LYS  20          2HZ       LYS  20 -18.084  -1.385   3.058
  117    H    LEU  21           H        LEU  21 -13.172  -5.254   3.587
  118    HA   LEU  21           HA       LEU  21 -11.800  -6.564   1.557
  119   1HB   LEU  21          1HB       LEU  21 -11.757  -7.007   4.545
  120   2HB   LEU  21          2HB       LEU  21 -10.581  -7.651   3.416
  121    HG   LEU  21           HG       LEU  21 -11.088  -4.683   3.647
  122   1HD1  LEU  21          1HD1      LEU  21  -9.106  -6.311   5.263
  123   2HD1  LEU  21          2HD1      LEU  21  -9.211  -4.535   5.211
  124   3HD1  LEU  21          3HD1      LEU  21 -10.553  -5.486   5.890
  125   1HD2  LEU  21          1HD2      LEU  21  -8.826  -4.506   2.728
  126   2HD2  LEU  21          2HD2      LEU  21  -8.701  -6.280   2.675
  127   3HD2  LEU  21          3HD2      LEU  21  -9.894  -5.442   1.654
  128    H    ARG  22           H        ARG  22 -12.035  -8.520   0.561
  129    HA   ARG  22           HA       ARG  22 -14.127 -10.231   1.455
  130   1HB   ARG  22          1HB       ARG  22 -12.066 -11.090  -0.586
  131   2HB   ARG  22          2HB       ARG  22 -13.788 -11.412  -0.563
  132   1HG   ARG  22          1HG       ARG  22 -14.087  -8.837  -0.894
  133   2HG   ARG  22          2HG       ARG  22 -12.384  -8.817  -1.307
  134   1HD   ARG  22          1HD       ARG  22 -14.483 -10.562  -2.689
  135   2HD   ARG  22          2HD       ARG  22 -13.879  -9.042  -3.322
  136    HE   ARG  22           HE       ARG  22 -11.598 -10.615  -2.792
  137   1HH1  ARG  22          2HH2      ARG  22 -14.390 -10.666  -4.971
  138   2HH1  ARG  22          1HH2      ARG  22 -13.619 -11.690  -6.136
  139   1HH2  ARG  22          1HH1      ARG  22 -11.368 -12.418  -5.752
  140    HA   PRO  23           HA       PRO  23 -10.462 -13.116   1.895
  141   1HB   PRO  23          1HB       PRO  23  -7.873 -12.251   1.768
  142   2HB   PRO  23          2HB       PRO  23  -8.774 -12.788   0.364
  143   1HG   PRO  23          1HG       PRO  23  -8.065 -10.034   1.168
  144   2HG   PRO  23          2HG       PRO  23  -8.575 -10.622  -0.401
  145   1HD   PRO  23          1HD       PRO  23 -10.171  -9.171   1.489
  146   2HD   PRO  23          2HD       PRO  23 -10.711  -9.859  -0.030
  147    H    GLY  24           H        GLY  24  -8.557 -13.854   3.459
  148   1HA   GLY  24          1HA       GLY  24  -9.052 -12.744   6.043
  149   2HA   GLY  24          2HA       GLY  24  -7.807 -13.890   5.590
  150    H    ALA  25           H        ALA  25  -8.671 -10.378   5.114
  151    HA   ALA  25           HA       ALA  25  -5.786  -9.898   4.797
  152   1HB   ALA  25          1HB       ALA  25  -8.215  -8.959   3.287
  153   2HB   ALA  25          2HB       ALA  25  -6.790  -7.897   3.385
  154   3HB   ALA  25          3HB       ALA  25  -6.643  -9.521   2.670
  155    H    GLN  26           H        GLN  26  -5.204  -7.516   5.271
  156    HA   GLN  26           HA       GLN  26  -6.594  -6.871   7.747
  157   1HB   GLN  26          1HB       GLN  26  -3.708  -6.561   6.867
  158   2HB   GLN  26          2HB       GLN  26  -4.338  -5.613   8.200
  159   1HG   GLN  26          1HG       GLN  26  -4.660  -8.640   8.105
  160   2HG   GLN  26          2HG       GLN  26  -3.221  -7.891   8.768
  161   1HE2  GLN  26          1HE2      GLN  26  -3.576  -6.177  10.417
  162   2HE2  GLN  26          2HE2      GLN  26  -4.822  -6.411  11.598
  163    H    CYS  27           H        CYS  27  -5.159  -5.540   4.727
  164    HA   CYS  27           HA       CYS  27  -6.913  -3.244   5.055
  165   1HB   CYS  27          1HB       CYS  27  -5.076  -1.742   4.244
  166   2HB   CYS  27          2HB       CYS  27  -4.930  -2.313   5.894
  167    H    GLY  28           H        GLY  28  -6.937  -1.993   2.821
  168   1HA   GLY  28          1HA       GLY  28  -6.502  -3.911   0.613
  169   2HA   GLY  28          2HA       GLY  28  -7.690  -2.622   0.622
  170    H    GLU  29           H        GLU  29  -6.083  -0.499   1.753
  171    HA   GLU  29           HA       GLU  29  -4.219  -0.157  -0.463
  172   1HB   GLU  29          1HB       GLU  29  -6.692   1.327   0.132
  173   2HB   GLU  29          2HB       GLU  29  -5.303   2.388   0.000
  174   1HG   GLU  29          1HG       GLU  29  -5.796   0.230  -2.083
  175   2HG   GLU  29          2HG       GLU  29  -6.639   1.764  -2.178
  176    H    GLY  30           H        GLY  30  -2.824   1.955  -0.059
  177   1HA   GLY  30          1HA       GLY  30  -1.916   3.268   1.840
  178   2HA   GLY  30          2HA       GLY  30  -1.955   1.780   2.764
  179    H    LEU  31           H        LEU  31   0.384   3.500   2.040
  180    HA   LEU  31           HA       LEU  31   1.721   2.446  -0.180
  181   1HB   LEU  31          1HB       LEU  31   2.684   3.961   2.246
  182   2HB   LEU  31          2HB       LEU  31   3.713   3.553   0.888
  183    HG   LEU  31           HG       LEU  31   1.158   5.095   0.468
  184   1HD1  LEU  31          1HD1      LEU  31   2.312   6.329   2.192
  185   2HD1  LEU  31          2HD1      LEU  31   3.840   6.245   1.283
  186   3HD1  LEU  31          3HD1      LEU  31   2.474   7.188   0.640
  187   1HD2  LEU  31          1HD2      LEU  31   2.213   4.202  -1.520
  188   2HD2  LEU  31          2HD2      LEU  31   2.387   5.973  -1.485
  189   3HD2  LEU  31          3HD2      LEU  31   3.769   4.934  -1.062
  190    H    CYS  32           H        CYS  32   1.387   1.378   3.183
  191    HA   CYS  32           HA       CYS  32   3.619  -0.462   2.788
  192   1HB   CYS  32          1HB       CYS  32   3.746   1.043   4.729
  193   2HB   CYS  32          2HB       CYS  32   2.235   0.396   5.338
  194    H    CYS  33           H        CYS  33   0.451  -0.370   2.081
  195    HA   CYS  33           HA       CYS  33  -0.274  -2.893   3.305
  196   1HB   CYS  33          1HB       CYS  33  -1.885  -0.984   3.129
  197   2HB   CYS  33          2HB       CYS  33  -1.863  -1.179   1.387
  198    H    GLU  34           H        GLU  34   0.772  -4.619   2.322
  199    HA   GLU  34           HA       GLU  34   0.413  -4.762  -0.564
  200   1HB   GLU  34          1HB       GLU  34   2.904  -5.450   1.041
  201   2HB   GLU  34          2HB       GLU  34   2.633  -6.086  -0.570
  202   1HG   GLU  34          1HG       GLU  34   2.520  -3.101   0.046
  203   2HG   GLU  34          2HG       GLU  34   4.007  -3.908  -0.409
  204    H    GLN  35           H        GLN  35  -0.072  -6.881  -1.395
  205    HA   GLN  35           HA       GLN  35  -1.250  -8.703  -1.317
  206   1HB   GLN  35          1HB       GLN  35   0.990  -9.430  -0.144
  207   2HB   GLN  35          2HB       GLN  35   0.022  -9.500   1.316
  208   1HG   GLN  35          1HG       GLN  35  -1.641 -10.954  -0.096
  209   2HG   GLN  35          2HG       GLN  35  -0.320 -11.117  -1.236
  210   1HE2  GLN  35          1HE2      GLN  35   1.808 -11.775  -0.301
  211   2HE2  GLN  35          2HE2      GLN  35   1.820 -12.999   0.925
  212    H    CYS  36           H        CYS  36  -2.283  -6.262   0.010
  213    HA   CYS  36           HA       CYS  36  -4.087  -5.645   1.095
  214   1HB   CYS  36          1HB       CYS  36  -4.891  -8.532   1.432
  215   2HB   CYS  36          2HB       CYS  36  -5.923  -7.116   1.420
  216    H    LYS  37           H        LYS  37  -1.484  -6.388   2.431
  217    HA   LYS  37           HA       LYS  37  -2.496  -6.864   5.127
  218   1HB   LYS  37          1HB       LYS  37  -0.471  -8.570   3.671
  219   2HB   LYS  37          2HB       LYS  37  -0.518  -8.479   5.420
  220   1HG   LYS  37          1HG       LYS  37  -2.801  -9.316   5.490
  221   2HG   LYS  37          2HG       LYS  37  -2.986  -9.142   3.757
  222   1HD   LYS  37          1HD       LYS  37  -1.096 -10.840   3.469
  223   2HD   LYS  37          2HD       LYS  37  -1.139 -11.097   5.202
  224   1HE   LYS  37          1HE       LYS  37  -3.459 -11.879   5.098
  225   2HE   LYS  37          2HE       LYS  37  -3.590 -11.426   3.411
  226   1HZ   LYS  37          1HZ       LYS  37  -1.859 -13.087   2.905
  227   2HZ   LYS  37          2HZ       LYS  37  -1.767 -13.519   4.472
  228    H    PHE  38           H        PHE  38  -0.742  -6.385   6.793
  229    HA   PHE  38           HA       PHE  38   0.507  -3.922   6.012
  230   1HB   PHE  38          1HB       PHE  38   0.206  -5.636   8.532
  231   2HB   PHE  38          2HB       PHE  38   1.253  -4.231   8.553
  232    HD1  PHE  38           HD1      PHE  38  -2.147  -4.863   7.126
  233    HD2  PHE  38           HD2      PHE  38   0.260  -2.510   9.710
  234    HE1  PHE  38           HE1      PHE  38  -4.123  -3.400   7.634
  235    HE2  PHE  38           HE2      PHE  38  -1.715  -1.046  10.218
  236    HZ   PHE  38           HZ       PHE  38  -3.883  -1.509   9.174
  237    H    SER  39           H        SER  39   2.455  -3.929   4.967
  238    HA   SER  39           HA       SER  39   3.848  -6.332   4.754
  239   1HB   SER  39          1HB       SER  39   4.107  -5.024   2.860
  240   2HB   SER  39          2HB       SER  39   4.173  -3.525   3.764
  241    HG   SER  39           HG       SER  39   6.242  -4.117   2.806
  242    H    ARG  40           H        ARG  40   6.356  -6.450   5.152
  243    HA   ARG  40           HA       ARG  40   6.426  -6.255   7.972
  244   1HB   ARG  40          1HB       ARG  40   8.389  -7.678   7.820
  245   2HB   ARG  40          2HB       ARG  40   7.259  -8.238   6.602
  246   1HG   ARG  40          1HG       ARG  40   8.513  -6.664   4.950
  247   2HG   ARG  40          2HG       ARG  40   9.751  -6.538   6.184
  248   1HD   ARG  40          1HD       ARG  40  10.480  -8.332   4.784
  249   2HD   ARG  40          2HD       ARG  40   9.818  -9.124   6.200
  250    HE   ARG  40           HE       ARG  40   7.693  -8.812   4.333
  251   1HH1  ARG  40          2HH2      ARG  40  10.733 -10.608   4.625
  252   2HH1  ARG  40          1HH2      ARG  40  10.208 -11.908   3.608
  253   1HH2  ARG  40          1HH1      ARG  40   8.005 -11.844   2.665
  254    H    ALA  41           H        ALA  41   8.317  -5.340   9.211
  255    HA   ALA  41           HA       ALA  41   8.606  -2.655   8.418
  256   1HB   ALA  41          1HB       ALA  41   8.443  -3.560  10.770
  257   2HB   ALA  41          2HB       ALA  41  10.106  -4.168  10.590
  258   3HB   ALA  41          3HB       ALA  41   9.785  -2.419  10.515
  259    H    GLY  42           H        GLY  42  10.199  -1.622   7.284
  260   1HA   GLY  42          1HA       GLY  42  12.528  -1.297   6.914
  261   2HA   GLY  42          2HA       GLY  42  12.771  -3.032   6.968
  262    H    LYS  43           H        LYS  43  10.149  -3.406   5.357
  263    HA   LYS  43           HA       LYS  43  11.396  -3.480   2.823
  264   1HB   LYS  43          1HB       LYS  43   9.628  -5.055   3.750
  265   2HB   LYS  43          2HB       LYS  43   8.447  -3.801   3.429
  266   1HG   LYS  43          1HG       LYS  43   8.342  -4.979   1.421
  267   2HG   LYS  43          2HG       LYS  43   9.550  -3.779   1.006
  268   1HD   LYS  43          1HD       LYS  43  10.664  -5.705   0.322
  269   2HD   LYS  43          2HD       LYS  43  11.254  -5.592   1.969
  270   1HE   LYS  43          1HE       LYS  43   9.330  -7.119   2.679
  271   2HE   LYS  43          2HE       LYS  43   8.947  -7.332   0.982
  272   1HZ   LYS  43          1HZ       LYS  43  11.219  -8.199   0.653
  273   2HZ   LYS  43          2HZ       LYS  43  11.548  -8.028   2.240
  274    H    ILE  44           H        ILE  44  11.193  -2.142   1.026
  275    HA   ILE  44           HA       ILE  44  10.875   0.561   1.687
  276    HB   ILE  44           HB       ILE  44  11.062  -0.772  -1.017
  277   1HG1  ILE  44          1HG1      ILE  44  12.961  -1.478   0.163
  278   2HG1  ILE  44          2HG1      ILE  44  13.505  -0.101  -0.774
  279   1HG2  ILE  44          1HG2      ILE  44  10.279   1.460  -1.322
  280   2HG2  ILE  44          2HG2      ILE  44  11.453   2.101  -0.148
  281   3HG2  ILE  44          3HG2      ILE  44  12.017   1.445  -1.704
  282   1HD1  ILE  44          1HD1      ILE  44  12.955   1.327   1.339
  283   2HD1  ILE  44          2HD1      ILE  44  12.906  -0.231   2.199
  284   3HD1  ILE  44          3HD1      ILE  44  14.403   0.292   1.388
  285    H    CYS  45           H        CYS  45   9.089   1.803   1.840
  286    HA   CYS  45           HA       CYS  45   6.608   0.618   0.908
  287   1HB   CYS  45          1HB       CYS  45   5.501   2.261   2.299
  288   2HB   CYS  45          2HB       CYS  45   6.688   1.355   3.217
  289    H    ARG  46           H        ARG  46   8.928   3.240   0.312
  290    HA   ARG  46           HA       ARG  46   7.364   4.071  -1.943
  291   1HB   ARG  46          1HB       ARG  46   6.702   5.453   0.182
  292   2HB   ARG  46          2HB       ARG  46   8.287   6.188   0.047
  293   1HG   ARG  46          1HG       ARG  46   7.786   7.020  -2.202
  294   2HG   ARG  46          2HG       ARG  46   6.282   6.123  -2.254
  295   1HD   ARG  46          1HD       ARG  46   5.782   8.461  -1.721
  296   2HD   ARG  46          2HD       ARG  46   5.424   7.479  -0.315
  297    HE   ARG  46           HE       ARG  46   7.975   9.039  -0.614
  298   1HH1  ARG  46          2HH2      ARG  46   6.070   7.132   1.590
  299   2HH1  ARG  46          1HH2      ARG  46   6.159   8.253   2.906
  300   1HH2  ARG  46          1HH1      ARG  46   7.514  10.224   2.656
  301    H    ILE  47           H        ILE  47   8.670   5.153  -3.561
  302    HA   ILE  47           HA       ILE  47  11.510   4.764  -3.158
  303    HB   ILE  47           HB       ILE  47  10.037   5.692  -5.621
  304   1HG1  ILE  47          1HG1      ILE  47   9.042   3.607  -5.029
  305   2HG1  ILE  47          2HG1      ILE  47  10.164   3.303  -6.340
  306   1HG2  ILE  47          1HG2      ILE  47  12.435   6.140  -5.648
  307   2HG2  ILE  47          2HG2      ILE  47  12.772   4.439  -5.250
  308   3HG2  ILE  47          3HG2      ILE  47  12.012   4.855  -6.805
  309   1HD1  ILE  47          1HD1      ILE  47  11.906   2.647  -4.597
  310   2HD1  ILE  47          2HD1      ILE  47  10.617   2.759  -3.375
  311   3HD1  ILE  47          3HD1      ILE  47  10.496   1.564  -4.688
  312    HA   PRO  48           HA       PRO  48  12.213   9.043  -2.511
  313   1HB   PRO  48          1HB       PRO  48  14.944   8.989  -2.603
  314   2HB   PRO  48          2HB       PRO  48  14.027   8.656  -1.147
  315   1HG   PRO  48          1HG       PRO  48  15.437   6.761  -2.924
  316   2HG   PRO  48          2HG       PRO  48  14.892   6.522  -1.276
  317   1HD   PRO  48          1HD       PRO  48  13.650   5.517  -3.658
  318   2HD   PRO  48          2HD       PRO  48  13.042   5.377  -2.021
  319    H    ARG  49           H        ARG  49  12.772  10.959  -3.636
  320    HA   ARG  49           HA       ARG  49  13.626  10.440  -6.334
  321   1HB   ARG  49          1HB       ARG  49  11.681  11.718  -7.287
  322   2HB   ARG  49          2HB       ARG  49  11.181  10.228  -6.512
  323   1HG   ARG  49          1HG       ARG  49  10.741  11.612  -4.387
  324   2HG   ARG  49          2HG       ARG  49  10.994  13.046  -5.362
  325   1HD   ARG  49          1HD       ARG  49   8.902  10.889  -5.930
  326   2HD   ARG  49          2HD       ARG  49   8.569  12.438  -5.182
  327    HE   ARG  49           HE       ARG  49   9.053  11.945  -8.020
  328   1HH1  ARG  49          2HH2      ARG  49   9.198  14.400  -5.470
  329   2HH1  ARG  49          1HH2      ARG  49   9.100  15.731  -6.574
  330   1HH2  ARG  49          1HH1      ARG  49   8.938  15.297  -8.925
  331    H    GLY  50           H        GLY  50  14.702  11.808  -3.899
  332   1HA   GLY  50          1HA       GLY  50  15.399  14.330  -5.096
  333   2HA   GLY  50          2HA       GLY  50  14.350  14.495  -3.703
  334    H    ASP  51           H        ASP  51  15.431  14.850  -1.817
  335    HA   ASP  51           HA       ASP  51  18.174  13.880  -1.747
  336   1HB   ASP  51          1HB       ASP  51  18.396  15.693   0.078
  337   2HB   ASP  51          2HB       ASP  51  18.194  16.254  -1.571
  338    H    MET  52           H        MET  52  15.295  12.768  -0.858
  339    HA   MET  52           HA       MET  52  15.846  12.542   1.991
  340   1HB   MET  52          1HB       MET  52  13.479  12.325   2.282
  341   2HB   MET  52          2HB       MET  52  13.615  13.499   0.986
  342   1HG   MET  52          1HG       MET  52  13.440  11.503  -0.656
  343   2HG   MET  52          2HG       MET  52  12.988  10.524   0.725
  344   1HE   MET  52          1HE       MET  52  10.821   9.904  -0.450
  345   2HE   MET  52          2HE       MET  52   9.533  11.034  -0.930
  346   3HE   MET  52          3HE       MET  52  11.054  10.976  -1.852
  347    HA   PRO  53           HA       PRO  53  16.644   8.375   1.674
  348   1HB   PRO  53          1HB       PRO  53  15.779   7.345   4.053
  349   2HB   PRO  53          2HB       PRO  53  17.262   8.264   3.889
  350   1HG   PRO  53          1HG       PRO  53  14.677   9.110   5.045
  351   2HG   PRO  53          2HG       PRO  53  16.259   9.834   5.249
  352   1HD   PRO  53          1HD       PRO  53  14.133  10.798   3.582
  353   2HD   PRO  53          2HD       PRO  53  15.754  11.454   3.698
  354    H    ASP  54           H        ASP  54  15.993   6.104   1.455
  355    HA   ASP  54           HA       ASP  54  13.510   5.890   0.252
  356   1HB   ASP  54          1HB       ASP  54  13.907   3.361   0.696
  357   2HB   ASP  54          2HB       ASP  54  15.085   4.206  -0.289
  358    H    ASP  55           H        ASP  55  11.460   5.664   1.184
  359    HA   ASP  55           HA       ASP  55  11.352   5.707   4.029
  360   1HB   ASP  55          1HB       ASP  55   9.019   5.525   2.076
  361   2HB   ASP  55          2HB       ASP  55   8.973   6.130   3.719
  362    H    ARG  56           H        ARG  56  10.178   4.053   5.337
  363    HA   ARG  56           HA       ARG  56  10.313   1.496   3.961
  364   1HB   ARG  56          1HB       ARG  56  11.728   2.336   6.532
  365   2HB   ARG  56          2HB       ARG  56  11.510   0.652   6.103
  366   1HG   ARG  56          1HG       ARG  56  12.807   0.912   4.062
  367   2HG   ARG  56          2HG       ARG  56  12.823   2.657   4.219
  368   1HD   ARG  56          1HD       ARG  56  14.220   2.520   6.242
  369   2HD   ARG  56          2HD       ARG  56  14.089   0.772   6.265
  370    HE   ARG  56           HE       ARG  56  15.128   1.558   3.718
  371   1HH1  ARG  56          2HH2      ARG  56  16.112   1.435   7.120
  372   2HH1  ARG  56          1HH2      ARG  56  17.798   1.273   6.754
  373   1HH2  ARG  56          1HH1      ARG  56  18.509   1.285   4.465
  374    H    CYS  57           H        CYS  57   9.018  -0.213   4.934
  375    HA   CYS  57           HA       CYS  57   6.696   0.675   6.204
  376   1HB   CYS  57          1HB       CYS  57   7.869  -1.967   5.487
  377   2HB   CYS  57          2HB       CYS  57   6.588  -1.952   6.681
  378    H    THR  58           H        THR  58   5.951  -0.124   8.458
  379    HA   THR  58           HA       THR  58   8.189   0.753  10.153
  380    HB   THR  58           HB       THR  58   5.209   1.186  10.640
  381    HG1  THR  58           HG1      THR  58   7.221   2.576   9.023
  382   1HG2  THR  58          1HG2      THR  58   6.005   3.199  11.801
  383   2HG2  THR  58          2HG2      THR  58   6.901   1.803  12.445
  384   3HG2  THR  58          3HG2      THR  58   7.674   2.893  11.267
  385    H    GLY  59           H        GLY  59   6.046  -1.886   9.535
  386   1HA   GLY  59          1HA       GLY  59   5.383  -3.661  10.757
  387   2HA   GLY  59          2HA       GLY  59   6.586  -3.255  11.964
  388    H    GLN  60           H        GLN  60   3.465  -1.841  10.684
  389    HA   GLN  60           HA       GLN  60   2.481  -1.450  13.299
  390   1HB   GLN  60          1HB       GLN  60   4.385   0.304  13.002
  391   2HB   GLN  60          2HB       GLN  60   3.304   1.105  11.880
  392   1HG   GLN  60          1HG       GLN  60   1.539   1.184  13.683
  393   2HG   GLN  60          2HG       GLN  60   2.676   0.455  14.799
  394   1HE2  GLN  60          1HE2      GLN  60   2.725   2.171  16.181
  395   2HE2  GLN  60          2HE2      GLN  60   3.475   3.690  15.821
  396    H    SER  61           H        SER  61   2.404  -0.517   9.760
  397    HA   SER  61           HA       SER  61  -0.248   0.533  10.288
  398   1HB   SER  61          1HB       SER  61   1.192   2.408  10.799
  399   2HB   SER  61          2HB       SER  61   2.176   2.131   9.375
  400    HG   SER  61           HG       SER  61   0.863   3.709   8.639
  401    H    ALA  62           H        ALA  62  -1.479   0.994   8.294
  402    HA   ALA  62           HA       ALA  62  -0.717  -0.687   6.110
  403   1HB   ALA  62          1HB       ALA  62  -3.055  -0.452   6.819
  404   2HB   ALA  62          2HB       ALA  62  -2.997   1.295   6.488
  405   3HB   ALA  62          3HB       ALA  62  -2.858   0.131   5.150
  406    H    ASP  63           H        ASP  63  -0.352   2.696   7.038
  407    HA   ASP  63           HA       ASP  63   0.621   3.223   4.339
  408   1HB   ASP  63          1HB       ASP  63  -1.396   4.566   5.189
  409   2HB   ASP  63          2HB       ASP  63  -0.336   5.266   6.395
  410    H    CYS  64           H        CYS  64   2.503   4.867   4.318
  411    HA   CYS  64           HA       CYS  64   4.350   4.018   6.353
  412   1HB   CYS  64          1HB       CYS  64   4.580   4.479   3.663
  413   2HB   CYS  64          2HB       CYS  64   5.272   5.945   4.328
  414    HA   PRO  65           HA       PRO  65   4.367   8.053   8.269
  415   1HB   PRO  65          1HB       PRO  65   6.574   7.704   9.843
  416   2HB   PRO  65          2HB       PRO  65   4.956   7.262  10.350
  417   1HG   PRO  65          1HG       PRO  65   7.167   5.507   9.473
  418   2HG   PRO  65          2HG       PRO  65   5.723   5.087  10.371
  419   1HD   PRO  65          1HD       PRO  65   6.216   4.599   7.588
  420   2HD   PRO  65          2HD       PRO  65   4.728   4.285   8.459
  421    H    ARG  66           H        ARG  66   7.631   6.806   7.647
  422    HA   ARG  66           HA       ARG  66   8.195   8.870   5.854
  423   1HB   ARG  66          1HB       ARG  66   7.970  10.104   8.133
  424   2HB   ARG  66          2HB       ARG  66   9.437   9.273   8.612
  425   1HG   ARG  66          1HG       ARG  66  10.495  11.083   7.690
  426   2HG   ARG  66          2HG       ARG  66  10.226  10.249   6.173
  427   1HD   ARG  66          1HD       ARG  66   8.025  11.481   5.933
  428   2HD   ARG  66          2HD       ARG  66   8.393  12.368   7.398
  429    HE   ARG  66           HE       ARG  66  10.066  13.592   6.243
  430   1HH1  ARG  66          2HH2      ARG  66   9.051  10.857   4.240
  431   2HH1  ARG  66          1HH2      ARG  66   9.527  11.606   2.752
  432   1HH2  ARG  66          1HH1      ARG  66  10.709  13.694   2.830
  433    H    TYR  67           H        TYR  67   9.602   6.950   8.607
  434    HA   TYR  67           HA       TYR  67  11.218   5.454   6.773
  435   1HB   TYR  67          1HB       TYR  67  12.414   7.713   7.252
  436   2HB   TYR  67          2HB       TYR  67  12.451   7.260   8.943
  437    HD1  TYR  67           HD1      TYR  67  14.008   5.590   9.770
  438    HD2  TYR  67           HD2      TYR  67  13.818   6.523   5.598
  439    HE1  TYR  67           HE1      TYR  67  16.205   4.370   9.390
  440    HE2  TYR  67           HE2      TYR  67  16.018   5.300   5.232
  441    HH   TYR  67           HH       TYR  67  17.570   3.553   7.883
  442    H    HIS  68           H        HIS  68  12.583   3.798   8.007
  443    HA   HIS  68           HA       HIS  68  11.898   3.518  10.787
  444   1HB   HIS  68          1HB       HIS  68  10.013   2.397   9.737
  445   2HB   HIS  68          2HB       HIS  68  11.088   1.433   8.744
  446    HD1  HIS  68           HD1      HIS  68   9.738   1.725  12.242
  447    HD2  HIS  68           HD2      HIS  68  12.350  -0.736  10.072
  448    HE1  HIS  68           HE1      HIS  68  10.159  -0.329  13.696
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -20.144   3.852   9.146
    2   2H    GLY   1          2H        GLY   1 -20.081   5.498   9.313
    3   3H    GLY   1          3H        GLY   1 -21.180   4.618  10.185
    4   1HA   GLY   1          1HA       GLY   1 -22.637   4.485   8.559
    5   2HA   GLY   1          2HA       GLY   1 -21.771   5.890   7.970
    6    H    LYS   2           H        LYS   2 -22.398   5.223   5.764
    7    HA   LYS   2           HA       LYS   2 -21.435   2.913   4.559
    8   1HB   LYS   2          1HB       LYS   2 -21.791   4.061   2.486
    9   2HB   LYS   2          2HB       LYS   2 -23.078   4.507   3.588
   10   1HG   LYS   2          1HG       LYS   2 -21.514   6.544   4.208
   11   2HG   LYS   2          2HG       LYS   2 -20.697   6.166   2.704
   12   1HD   LYS   2          1HD       LYS   2 -22.276   7.517   1.750
   13   2HD   LYS   2          2HD       LYS   2 -23.316   6.111   1.864
   14   1HE   LYS   2          1HE       LYS   2 -23.094   8.330   3.955
   15   2HE   LYS   2          2HE       LYS   2 -24.418   8.123   2.825
   16   1HZ   LYS   2          1HZ       LYS   2 -24.863   7.142   5.045
   17   2HZ   LYS   2          2HZ       LYS   2 -24.961   6.022   3.869
   18    H    GLU   3           H        GLU   3 -19.408   2.201   4.017
   19    HA   GLU   3           HA       GLU   3 -17.241   4.079   4.293
   20   1HB   GLU   3          1HB       GLU   3 -17.922   1.948   6.315
   21   2HB   GLU   3          2HB       GLU   3 -16.230   2.280   5.997
   22   1HG   GLU   3          1HG       GLU   3 -16.477   4.617   6.618
   23   2HG   GLU   3          2HG       GLU   3 -18.226   4.493   6.645
   24    H    CYS   4           H        CYS   4 -15.125   3.111   3.652
   25    HA   CYS   4           HA       CYS   4 -15.425   0.525   2.328
   26   1HB   CYS   4          1HB       CYS   4 -14.164   2.994   1.119
   27   2HB   CYS   4          2HB       CYS   4 -13.988   1.376   0.470
   28    H    ASP   5           H        ASP   5 -13.712  -0.857   2.830
   29    HA   ASP   5           HA       ASP   5 -11.583   0.168   4.416
   30   1HB   ASP   5          1HB       ASP   5 -12.226  -2.551   3.206
   31   2HB   ASP   5          2HB       ASP   5 -10.721  -2.267   4.057
   32    H    CYS   6           H        CYS   6 -12.342  -0.274   1.041
   33    HA   CYS   6           HA       CYS   6  -9.504  -0.043   0.354
   34   1HB   CYS   6          1HB       CYS   6 -11.808  -0.995  -1.361
   35   2HB   CYS   6          2HB       CYS   6 -10.148  -0.822  -1.893
   36    H    SER   7           H        SER   7  -9.283   1.325  -1.827
   37    HA   SER   7           HA       SER   7 -10.924   3.682  -1.505
   38   1HB   SER   7          1HB       SER   7  -8.440   3.138  -3.190
   39   2HB   SER   7          2HB       SER   7  -9.290   4.671  -3.176
   40    HG   SER   7           HG       SER   7  -8.199   3.411  -0.807
   41    H    SER   8           H        SER   8 -10.971   0.755  -3.199
   42    HA   SER   8           HA       SER   8 -12.547   1.933  -5.322
   43   1HB   SER   8          1HB       SER   8 -10.192   0.046  -5.764
   44   2HB   SER   8          2HB       SER   8 -11.365   0.450  -7.000
   45    HG   SER   8           HG       SER   8 -10.744   2.715  -6.750
   46    HA   PRO   9           HA       PRO   9 -14.816  -1.791  -4.630
   47   1HB   PRO   9          1HB       PRO   9 -16.446  -1.748  -6.823
   48   2HB   PRO   9          2HB       PRO   9 -16.795  -0.861  -5.353
   49   1HG   PRO   9          1HG       PRO   9 -15.806   0.163  -7.944
   50   2HG   PRO   9          2HG       PRO   9 -16.554   1.045  -6.628
   51   1HD   PRO   9          1HD       PRO   9 -13.762   0.979  -7.280
   52   2HD   PRO   9          2HD       PRO   9 -14.496   1.767  -5.899
   53    H    GLU  10           H        GLU  10 -13.019  -1.173  -7.498
   54    HA   GLU  10           HA       GLU  10 -13.251  -3.802  -8.472
   55   1HB   GLU  10          1HB       GLU  10 -12.636  -1.718  -9.808
   56   2HB   GLU  10          2HB       GLU  10 -11.049  -1.780  -9.065
   57   1HG   GLU  10          1HG       GLU  10 -10.939  -2.907 -11.230
   58   2HG   GLU  10          2HG       GLU  10 -10.732  -4.103  -9.968
   59    H    ASN  11           H        ASN  11 -11.346  -2.250  -5.978
   60    HA   ASN  11           HA       ASN  11  -9.089  -3.766  -5.975
   61   1HB   ASN  11          1HB       ASN  11  -9.764  -1.794  -4.431
   62   2HB   ASN  11          2HB       ASN  11 -10.624  -2.967  -3.454
   63   1HD2  ASN  11          1HD2      ASN  11  -8.189  -1.239  -3.057
   64   2HD2  ASN  11          2HD2      ASN  11  -6.955  -2.297  -2.457
   65    HA   PRO  12           HA       PRO  12 -11.041  -7.637  -5.206
   66   1HB   PRO  12          1HB       PRO  12  -8.851  -9.248  -5.495
   67   2HB   PRO  12          2HB       PRO  12  -9.803  -8.672  -6.849
   68   1HG   PRO  12          1HG       PRO  12  -7.139  -7.770  -5.939
   69   2HG   PRO  12          2HG       PRO  12  -7.909  -7.525  -7.494
   70   1HD   PRO  12          1HD       PRO  12  -7.635  -5.594  -5.392
   71   2HD   PRO  12          2HD       PRO  12  -8.504  -5.386  -6.900
   72    H    CYS  13           H        CYS  13  -8.851  -6.094  -3.230
   73    HA   CYS  13           HA       CYS  13  -8.820  -8.025  -1.173
   74   1HB   CYS  13          1HB       CYS  13  -8.589  -5.020  -0.928
   75   2HB   CYS  13          2HB       CYS  13  -8.104  -6.211   0.263
   76    H    CYS  14           H        CYS  14 -11.108  -5.605  -2.406
   77    HA   CYS  14           HA       CYS  14 -12.828  -6.114  -0.092
   78   1HB   CYS  14          1HB       CYS  14 -12.627  -3.761  -1.965
   79   2HB   CYS  14          2HB       CYS  14 -14.042  -4.032  -0.969
   80    H    ASP  15           H        ASP  15 -14.979  -6.934  -0.514
   81    HA   ASP  15           HA       ASP  15 -15.697  -7.612  -3.152
   82   1HB   ASP  15          1HB       ASP  15 -16.639  -8.645  -1.037
   83   2HB   ASP  15          2HB       ASP  15 -17.471  -7.138  -0.711
   84    H    ALA  16           H        ALA  16 -17.306  -6.474  -4.504
   85    HA   ALA  16           HA       ALA  16 -16.797  -3.688  -4.428
   86   1HB   ALA  16          1HB       ALA  16 -16.928  -4.974  -6.516
   87   2HB   ALA  16          2HB       ALA  16 -18.626  -5.383  -6.176
   88   3HB   ALA  16          3HB       ALA  16 -18.165  -3.695  -6.500
   89    H    ALA  17           H        ALA  17 -19.433  -5.818  -3.355
   90    HA   ALA  17           HA       ALA  17 -21.435  -3.804  -3.559
   91   1HB   ALA  17          1HB       ALA  17 -21.811  -6.273  -3.798
   92   2HB   ALA  17          2HB       ALA  17 -21.463  -6.453  -2.061
   93   3HB   ALA  17          3HB       ALA  17 -22.874  -5.508  -2.593
   94    H    THR  18           H        THR  18 -19.487  -5.282  -0.895
   95    HA   THR  18           HA       THR  18 -20.741  -3.478   1.013
   96    HB   THR  18           HB       THR  18 -19.405  -4.875   2.632
   97    HG1  THR  18           HG1      THR  18 -17.982  -6.402   1.683
   98   1HG2  THR  18          1HG2      THR  18 -20.518  -7.008   2.264
   99   2HG2  THR  18          2HG2      THR  18 -21.649  -5.748   1.716
  100   3HG2  THR  18          3HG2      THR  18 -20.704  -6.673   0.526
  101    H    CYS  19           H        CYS  19 -17.897  -3.684  -1.005
  102    HA   CYS  19           HA       CYS  19 -16.282  -2.232  -1.345
  103   1HB   CYS  19          1HB       CYS  19 -18.203  -0.563  -0.726
  104   2HB   CYS  19          2HB       CYS  19 -17.287  -0.335   0.750
  105    H    LYS  20           H        LYS  20 -16.185  -4.415   0.662
  106    HA   LYS  20           HA       LYS  20 -14.358  -3.309   2.639
  107   1HB   LYS  20          1HB       LYS  20 -17.081  -3.593   3.201
  108   2HB   LYS  20          2HB       LYS  20 -16.349  -5.020   3.904
  109   1HG   LYS  20          1HG       LYS  20 -14.878  -3.736   5.289
  110   2HG   LYS  20          2HG       LYS  20 -15.110  -2.280   4.341
  111   1HD   LYS  20          1HD       LYS  20 -17.498  -3.542   5.712
  112   2HD   LYS  20          2HD       LYS  20 -16.375  -2.590   6.662
  113   1HE   LYS  20          1HE       LYS  20 -16.685  -0.660   5.091
  114   2HE   LYS  20          2HE       LYS  20 -17.814  -1.613   4.149
  115   1HZ   LYS  20          1HZ       LYS  20 -19.247  -1.763   6.117
  116   2HZ   LYS  20          2HZ       LYS  20 -18.192  -0.901   7.009
  117    H    LEU  21           H        LEU  21 -13.314  -5.138   3.943
  118    HA   LEU  21           HA       LEU  21 -12.074  -6.597   1.916
  119   1HB   LEU  21          1HB       LEU  21 -11.877  -6.903   4.916
  120   2HB   LEU  21          2HB       LEU  21 -10.760  -7.575   3.745
  121    HG   LEU  21           HG       LEU  21 -11.262  -4.605   3.873
  122   1HD1  LEU  21          1HD1      LEU  21  -9.354  -4.377   5.392
  123   2HD1  LEU  21          2HD1      LEU  21 -10.688  -5.285   6.145
  124   3HD1  LEU  21          3HD1      LEU  21  -9.254  -6.148   5.539
  125   1HD2  LEU  21          1HD2      LEU  21  -8.890  -6.250   2.944
  126   2HD2  LEU  21          2HD2      LEU  21 -10.101  -5.465   1.902
  127   3HD2  LEU  21          3HD2      LEU  21  -9.017  -4.474   2.907
  128    H    ARG  22           H        ARG  22 -12.603  -8.535   0.961
  129    HA   ARG  22           HA       ARG  22 -14.306 -10.354   2.295
  130   1HB   ARG  22          1HB       ARG  22 -12.316 -10.930   0.045
  131   2HB   ARG  22          2HB       ARG  22 -13.716 -11.896   0.469
  132   1HG   ARG  22          1HG       ARG  22 -15.036 -10.630  -0.869
  133   2HG   ARG  22          2HG       ARG  22 -14.622  -9.191   0.041
  134   1HD   ARG  22          1HD       ARG  22 -13.996  -8.871  -2.316
  135   2HD   ARG  22          2HD       ARG  22 -12.545  -8.916  -1.333
  136    HE   ARG  22           HE       ARG  22 -12.545 -11.465  -2.000
  137   1HH1  ARG  22          2HH2      ARG  22 -12.939  -8.649  -4.068
  138   2HH1  ARG  22          1HH2      ARG  22 -13.010  -9.558  -5.541
  139   1HH2  ARG  22          1HH1      ARG  22 -12.637 -11.931  -5.453
  140    HA   PRO  23           HA       PRO  23 -10.664 -13.031   2.214
  141   1HB   PRO  23          1HB       PRO  23  -8.089 -12.293   1.677
  142   2HB   PRO  23          2HB       PRO  23  -9.255 -12.682   0.428
  143   1HG   PRO  23          1HG       PRO  23  -8.244 -10.031   1.258
  144   2HG   PRO  23          2HG       PRO  23  -9.058 -10.479  -0.227
  145   1HD   PRO  23          1HD       PRO  23 -10.202  -9.087   2.004
  146   2HD   PRO  23          2HD       PRO  23 -11.043  -9.638   0.569
  147    H    GLY  24           H        GLY  24  -8.443 -13.892   3.334
  148   1HA   GLY  24          1HA       GLY  24  -8.353 -12.948   6.015
  149   2HA   GLY  24          2HA       GLY  24  -7.186 -13.974   5.204
  150    H    ALA  25           H        ALA  25  -8.336 -10.519   5.228
  151    HA   ALA  25           HA       ALA  25  -5.591  -9.769   4.479
  152   1HB   ALA  25          1HB       ALA  25  -6.955  -7.733   3.471
  153   2HB   ALA  25          2HB       ALA  25  -6.807  -9.260   2.566
  154   3HB   ALA  25          3HB       ALA  25  -8.295  -8.906   3.477
  155    H    GLN  26           H        GLN  26  -4.956  -7.543   5.223
  156    HA   GLN  26           HA       GLN  26  -6.306  -6.914   7.719
  157   1HB   GLN  26          1HB       GLN  26  -3.565  -6.159   6.627
  158   2HB   GLN  26          2HB       GLN  26  -4.232  -5.445   8.082
  159   1HG   GLN  26          1HG       GLN  26  -4.360  -7.618   9.186
  160   2HG   GLN  26          2HG       GLN  26  -3.970  -8.461   7.700
  161   1HE2  GLN  26          1HE2      GLN  26  -2.798  -6.977  10.501
  162   2HE2  GLN  26          2HE2      GLN  26  -1.098  -7.030  10.178
  163    H    CYS  27           H        CYS  27  -5.199  -5.513   4.580
  164    HA   CYS  27           HA       CYS  27  -6.936  -3.229   5.098
  165   1HB   CYS  27          1HB       CYS  27  -5.127  -1.732   4.189
  166   2HB   CYS  27          2HB       CYS  27  -4.902  -2.333   5.819
  167    H    GLY  28           H        GLY  28  -7.131  -1.904   2.937
  168   1HA   GLY  28          1HA       GLY  28  -7.256  -3.835   0.712
  169   2HA   GLY  28          2HA       GLY  28  -8.248  -2.404   0.904
  170    H    GLU  29           H        GLU  29  -6.133  -0.551   1.713
  171    HA   GLU  29           HA       GLU  29  -4.523  -0.488  -0.689
  172   1HB   GLU  29          1HB       GLU  29  -6.876   1.227  -0.149
  173   2HB   GLU  29          2HB       GLU  29  -5.433   2.137  -0.549
  174   1HG   GLU  29          1HG       GLU  29  -5.946  -0.256  -2.268
  175   2HG   GLU  29          2HG       GLU  29  -7.122   1.035  -2.416
  176    H    GLY  30           H        GLY  30  -2.974   1.525  -0.588
  177   1HA   GLY  30          1HA       GLY  30  -1.996   3.023   1.187
  178   2HA   GLY  30          2HA       GLY  30  -1.985   1.592   2.197
  179    H    LEU  31           H        LEU  31   0.350   3.163   1.371
  180    HA   LEU  31           HA       LEU  31   1.543   1.910  -0.886
  181   1HB   LEU  31          1HB       LEU  31   2.639   3.763   1.233
  182   2HB   LEU  31          2HB       LEU  31   3.532   3.234  -0.180
  183    HG   LEU  31           HG       LEU  31   0.936   4.794  -0.278
  184   1HD1  LEU  31          1HD1      LEU  31   3.780   5.777  -0.646
  185   2HD1  LEU  31          2HD1      LEU  31   2.297   6.732  -0.886
  186   3HD1  LEU  31          3HD1      LEU  31   2.715   6.128   0.737
  187   1HD2  LEU  31          1HD2      LEU  31   2.863   3.871  -2.413
  188   2HD2  LEU  31          2HD2      LEU  31   1.114   3.570  -2.284
  189   3HD2  LEU  31          3HD2      LEU  31   1.710   5.203  -2.666
  190    H    CYS  32           H        CYS  32   1.336   1.251   2.561
  191    HA   CYS  32           HA       CYS  32   3.555  -0.632   2.323
  192   1HB   CYS  32          1HB       CYS  32   3.663   1.001   4.159
  193   2HB   CYS  32          2HB       CYS  32   2.140   0.405   4.788
  194    H    CYS  33           H        CYS  33   0.372  -0.542   1.604
  195    HA   CYS  33           HA       CYS  33  -0.378  -2.956   3.030
  196   1HB   CYS  33          1HB       CYS  33  -1.945  -1.032   2.879
  197   2HB   CYS  33          2HB       CYS  33  -2.007  -1.244   1.142
  198    H    GLU  34           H        GLU  34   0.833  -4.621   2.035
  199    HA   GLU  34           HA       GLU  34   0.432  -4.839  -0.847
  200   1HB   GLU  34          1HB       GLU  34   2.749  -5.912   0.825
  201   2HB   GLU  34          2HB       GLU  34   2.571  -6.110  -0.908
  202   1HG   GLU  34          1HG       GLU  34   2.800  -3.429   0.541
  203   2HG   GLU  34          2HG       GLU  34   4.098  -4.217  -0.332
  204    H    GLN  35           H        GLN  35  -0.354  -6.804  -1.681
  205    HA   GLN  35           HA       GLN  35  -1.624  -8.564  -1.642
  206   1HB   GLN  35          1HB       GLN  35   0.633  -9.490  -0.689
  207   2HB   GLN  35          2HB       GLN  35  -0.211  -9.581   0.844
  208   1HG   GLN  35          1HG       GLN  35  -0.472 -11.735  -0.207
  209   2HG   GLN  35          2HG       GLN  35  -2.029 -10.939  -0.317
  210   1HE2  GLN  35          1HE2      GLN  35  -2.935 -10.576  -2.231
  211   2HE2  GLN  35          2HE2      GLN  35  -2.221 -10.897  -3.775
  212    H    CYS  36           H        CYS  36  -2.542  -6.202  -0.202
  213    HA   CYS  36           HA       CYS  36  -4.323  -5.617   0.938
  214   1HB   CYS  36          1HB       CYS  36  -5.064  -8.523   1.273
  215   2HB   CYS  36          2HB       CYS  36  -6.122  -7.128   1.341
  216    H    LYS  37           H        LYS  37  -1.656  -6.388   2.171
  217    HA   LYS  37           HA       LYS  37  -2.554  -6.743   4.914
  218   1HB   LYS  37          1HB       LYS  37  -0.892  -8.713   3.371
  219   2HB   LYS  37          2HB       LYS  37  -0.590  -8.485   5.082
  220   1HG   LYS  37          1HG       LYS  37  -3.016  -8.924   5.559
  221   2HG   LYS  37          2HG       LYS  37  -3.298  -9.181   3.849
  222   1HD   LYS  37          1HD       LYS  37  -1.121 -10.782   5.202
  223   2HD   LYS  37          2HD       LYS  37  -2.789 -11.233   5.492
  224   1HE   LYS  37          1HE       LYS  37  -1.536 -10.929   2.721
  225   2HE   LYS  37          2HE       LYS  37  -1.757 -12.458   3.546
  226   1HZ   LYS  37          1HZ       LYS  37  -3.615 -12.067   2.073
  227   2HZ   LYS  37          2HZ       LYS  37  -4.179 -11.966   3.597
  228    H    PHE  38           H        PHE  38  -0.682  -6.354   6.470
  229    HA   PHE  38           HA       PHE  38   0.649  -3.989   5.590
  230   1HB   PHE  38          1HB       PHE  38   0.469  -5.726   8.100
  231   2HB   PHE  38          2HB       PHE  38   1.641  -4.424   8.045
  232    HD1  PHE  38           HD1      PHE  38  -1.941  -4.758   7.015
  233    HD2  PHE  38           HD2      PHE  38   0.948  -2.593   9.244
  234    HE1  PHE  38           HE1      PHE  38  -3.714  -3.132   7.733
  235    HE2  PHE  38           HE2      PHE  38  -0.823  -0.967   9.962
  236    HZ   PHE  38           HZ       PHE  38  -3.133  -1.256   9.198
  237    H    SER  39           H        SER  39   2.562  -3.941   4.514
  238    HA   SER  39           HA       SER  39   3.951  -6.306   4.058
  239   1HB   SER  39          1HB       SER  39   4.269  -4.827   2.317
  240   2HB   SER  39          2HB       SER  39   4.260  -3.420   3.362
  241    HG   SER  39           HG       SER  39   6.373  -3.745   2.508
  242    H    ARG  40           H        ARG  40   6.419  -6.540   4.481
  243    HA   ARG  40           HA       ARG  40   6.563  -6.654   7.267
  244   1HB   ARG  40          1HB       ARG  40   8.695  -7.799   6.904
  245   2HB   ARG  40          2HB       ARG  40   7.571  -8.337   5.672
  246   1HG   ARG  40          1HG       ARG  40   8.554  -6.502   4.147
  247   2HG   ARG  40          2HG       ARG  40   9.807  -6.289   5.354
  248   1HD   ARG  40          1HD       ARG  40   9.177  -8.962   4.011
  249   2HD   ARG  40          2HD       ARG  40  10.441  -7.873   3.475
  250    HE   ARG  40           HE       ARG  40  10.881  -8.276   6.235
  251   1HH1  ARG  40          2HH2      ARG  40  10.928 -10.193   3.257
  252   2HH1  ARG  40          1HH2      ARG  40  12.004 -11.390   3.897
  253   1HH2  ARG  40          1HH1      ARG  40  12.821 -11.155   6.138
  254    H    ALA  41           H        ALA  41   8.193  -5.658   8.695
  255    HA   ALA  41           HA       ALA  41   8.365  -2.897   8.153
  256   1HB   ALA  41          1HB       ALA  41   9.744  -4.525  10.324
  257   2HB   ALA  41          2HB       ALA  41   9.372  -2.785  10.360
  258   3HB   ALA  41          3HB       ALA  41   8.052  -3.978  10.401
  259    H    GLY  42           H        GLY  42   9.927  -1.735   7.132
  260   1HA   GLY  42          1HA       GLY  42  12.288  -1.247   7.048
  261   2HA   GLY  42          2HA       GLY  42  12.608  -2.965   6.922
  262    H    LYS  43           H        LYS  43  10.023  -3.107   5.117
  263    HA   LYS  43           HA       LYS  43  11.493  -2.989   2.692
  264   1HB   LYS  43          1HB       LYS  43   9.795  -4.707   3.169
  265   2HB   LYS  43          2HB       LYS  43   8.544  -3.481   3.208
  266   1HG   LYS  43          1HG       LYS  43   8.799  -2.980   0.871
  267   2HG   LYS  43          2HG       LYS  43  10.343  -3.802   0.776
  268   1HD   LYS  43          1HD       LYS  43   7.897  -5.384   1.596
  269   2HD   LYS  43          2HD       LYS  43   8.116  -4.984  -0.095
  270   1HE   LYS  43          1HE       LYS  43  10.312  -6.091  -0.135
  271   2HE   LYS  43          2HE       LYS  43  10.258  -6.354   1.597
  272   1HZ   LYS  43          1HZ       LYS  43   9.565  -8.333   0.326
  273   2HZ   LYS  43          2HZ       LYS  43   8.351  -7.816   1.281
  274    H    ILE  44           H        ILE  44  11.535  -1.440   1.094
  275    HA   ILE  44           HA       ILE  44  10.916   1.164   2.001
  276    HB   ILE  44           HB       ILE  44  12.186  -0.078  -0.381
  277   1HG1  ILE  44          1HG1      ILE  44  13.889   1.748   0.237
  278   2HG1  ILE  44          2HG1      ILE  44  12.936   1.990   1.689
  279   1HG2  ILE  44          1HG2      ILE  44  12.371   2.205  -1.434
  280   2HG2  ILE  44          2HG2      ILE  44  10.768   1.437  -1.536
  281   3HG2  ILE  44          3HG2      ILE  44  11.062   2.730  -0.348
  282   1HD1  ILE  44          1HD1      ILE  44  14.846   0.362   1.982
  283   2HD1  ILE  44          2HD1      ILE  44  13.255  -0.331   2.376
  284   3HD1  ILE  44          3HD1      ILE  44  14.037  -0.723   0.826
  285    H    CYS  45           H        CYS  45   9.063   2.313   1.818
  286    HA   CYS  45           HA       CYS  45   7.000   1.065   0.161
  287   1HB   CYS  45          1HB       CYS  45   5.443   2.375   1.716
  288   2HB   CYS  45          2HB       CYS  45   6.225   0.933   2.329
  289    H    ARG  46           H        ARG  46   9.114   3.770   0.552
  290    HA   ARG  46           HA       ARG  46   7.797   4.937  -1.721
  291   1HB   ARG  46          1HB       ARG  46   7.094   6.139   0.500
  292   2HB   ARG  46          2HB       ARG  46   8.735   6.752   0.541
  293   1HG   ARG  46          1HG       ARG  46   8.434   7.782  -1.701
  294   2HG   ARG  46          2HG       ARG  46   6.817   7.117  -1.810
  295   1HD   ARG  46          1HD       ARG  46   7.692   9.010   0.422
  296   2HD   ARG  46          2HD       ARG  46   6.944   9.562  -1.062
  297    HE   ARG  46           HE       ARG  46   4.930   8.228  -0.458
  298   1HH1  ARG  46          2HH2      ARG  46   7.316   7.976   2.097
  299   2HH1  ARG  46          1HH2      ARG  46   6.207   8.326   3.380
  300   1HH2  ARG  46          1HH1      ARG  46   3.859   8.447   2.858
  301    H    ILE  47           H        ILE  47   9.306   5.774  -3.220
  302    HA   ILE  47           HA       ILE  47  12.075   5.258  -2.580
  303    HB   ILE  47           HB       ILE  47  10.678   6.100  -5.121
  304   1HG1  ILE  47          1HG1      ILE  47  11.839   3.565  -5.405
  305   2HG1  ILE  47          2HG1      ILE  47  11.103   3.535  -3.814
  306   1HG2  ILE  47          1HG2      ILE  47  13.035   6.909  -4.968
  307   2HG2  ILE  47          2HG2      ILE  47  13.555   5.216  -4.794
  308   3HG2  ILE  47          3HG2      ILE  47  12.742   5.748  -6.285
  309   1HD1  ILE  47          1HD1      ILE  47   9.500   2.824  -5.579
  310   2HD1  ILE  47          2HD1      ILE  47   8.946   4.304  -4.759
  311   3HD1  ILE  47          3HD1      ILE  47   9.686   4.404  -6.376
  312    HA   PRO  48           HA       PRO  48  12.878   9.425  -1.654
  313   1HB   PRO  48          1HB       PRO  48  15.601   9.285  -1.478
  314   2HB   PRO  48          2HB       PRO  48  14.532   8.850  -0.160
  315   1HG   PRO  48          1HG       PRO  48  16.069   7.080  -1.961
  316   2HG   PRO  48          2HG       PRO  48  15.350   6.708  -0.407
  317   1HD   PRO  48          1HD       PRO  48  14.335   5.974  -2.987
  318   2HD   PRO  48          2HD       PRO  48  13.559   5.703  -1.439
  319    H    ARG  49           H        ARG  49  13.482  11.422  -2.590
  320    HA   ARG  49           HA       ARG  49  15.218  11.028  -4.877
  321   1HB   ARG  49          1HB       ARG  49  14.041  12.887  -6.082
  322   2HB   ARG  49          2HB       ARG  49  12.989  11.513  -5.808
  323   1HG   ARG  49          1HG       ARG  49  12.097  12.666  -3.735
  324   2HG   ARG  49          2HG       ARG  49  13.079  14.064  -4.130
  325   1HD   ARG  49          1HD       ARG  49  11.890  14.296  -6.315
  326   2HD   ARG  49          2HD       ARG  49  10.927  12.879  -5.951
  327    HE   ARG  49           HE       ARG  49  10.557  15.559  -4.859
  328   1HH1  ARG  49          2HH2      ARG  49   9.986  12.115  -4.251
  329   2HH1  ARG  49          1HH2      ARG  49   8.682  12.399  -3.147
  330   1HH2  ARG  49          1HH1      ARG  49   8.013  14.650  -2.675
  331    H    GLY  50           H        GLY  50  16.385  13.191  -5.450
  332   1HA   GLY  50          1HA       GLY  50  17.559  15.022  -4.839
  333   2HA   GLY  50          2HA       GLY  50  16.499  15.235  -3.459
  334    H    ASP  51           H        ASP  51  17.221  14.676  -1.409
  335    HA   ASP  51           HA       ASP  51  19.318  12.676  -1.313
  336   1HB   ASP  51          1HB       ASP  51  20.235  15.069  -1.032
  337   2HB   ASP  51          2HB       ASP  51  19.304  15.166   0.449
  338    H    MET  52           H        MET  52  16.327  12.755  -0.885
  339    HA   MET  52           HA       MET  52  15.821  12.790   1.866
  340   1HB   MET  52          1HB       MET  52  14.425  11.610  -0.582
  341   2HB   MET  52          2HB       MET  52  13.753  11.378   1.020
  342   1HG   MET  52          1HG       MET  52  13.487  13.769   1.358
  343   2HG   MET  52          2HG       MET  52  14.455  14.146  -0.053
  344   1HE   MET  52          1HE       MET  52  11.231  12.780   1.386
  345   2HE   MET  52          2HE       MET  52  10.191  12.435  -0.017
  346   3HE   MET  52          3HE       MET  52  11.559  11.361   0.364
  347    HA   PRO  53           HA       PRO  53  16.766   8.558   2.855
  348   1HB   PRO  53          1HB       PRO  53  15.173   8.229   5.051
  349   2HB   PRO  53          2HB       PRO  53  16.781   8.922   5.128
  350   1HG   PRO  53          1HG       PRO  53  14.165  10.285   5.310
  351   2HG   PRO  53          2HG       PRO  53  15.742  10.868   5.799
  352   1HD   PRO  53          1HD       PRO  53  14.292  11.617   3.440
  353   2HD   PRO  53          2HD       PRO  53  15.918  12.109   3.872
  354    H    ASP  54           H        ASP  54  16.054   6.491   2.381
  355    HA   ASP  54           HA       ASP  54  13.647   6.341   0.989
  356   1HB   ASP  54          1HB       ASP  54  13.999   3.807   1.358
  357   2HB   ASP  54          2HB       ASP  54  15.265   4.667   0.505
  358    H    ASP  55           H        ASP  55  11.553   6.148   1.819
  359    HA   ASP  55           HA       ASP  55  11.294   5.954   4.657
  360   1HB   ASP  55          1HB       ASP  55   9.054   6.033   2.594
  361   2HB   ASP  55          2HB       ASP  55   8.964   6.513   4.278
  362    H    ARG  56           H        ARG  56  10.155   4.184   5.757
  363    HA   ARG  56           HA       ARG  56  10.182   1.805   4.080
  364   1HB   ARG  56          1HB       ARG  56  11.449   2.217   6.833
  365   2HB   ARG  56          2HB       ARG  56  11.246   0.636   6.106
  366   1HG   ARG  56          1HG       ARG  56  12.699   1.202   4.245
  367   2HG   ARG  56          2HG       ARG  56  12.706   2.900   4.679
  368   1HD   ARG  56          1HD       ARG  56  13.922   2.396   6.780
  369   2HD   ARG  56          2HD       ARG  56  13.839   0.677   6.447
  370    HE   ARG  56           HE       ARG  56  15.043   1.898   4.184
  371   1HH1  ARG  56          2HH2      ARG  56  15.781   1.379   7.611
  372   2HH1  ARG  56          1HH2      ARG  56  17.496   1.419   7.375
  373   1HH2  ARG  56          1HH1      ARG  56  18.371   1.712   5.162
  374    H    CYS  57           H        CYS  57   8.793   0.028   4.833
  375    HA   CYS  57           HA       CYS  57   6.479   0.742   6.189
  376   1HB   CYS  57          1HB       CYS  57   7.761  -1.863   5.447
  377   2HB   CYS  57          2HB       CYS  57   6.369  -1.860   6.511
  378    H    THR  58           H        THR  58   5.912   0.664   8.395
  379    HA   THR  58           HA       THR  58   8.075   0.111  10.269
  380    HB   THR  58           HB       THR  58   6.285   1.038  11.881
  381    HG1  THR  58           HG1      THR  58   4.418   1.873  10.754
  382   1HG2  THR  58          1HG2      THR  58   7.949   2.620  10.931
  383   2HG2  THR  58          2HG2      THR  58   7.006   2.725   9.426
  384   3HG2  THR  58          3HG2      THR  58   6.337   3.376  10.942
  385    H    GLY  59           H        GLY  59   5.393  -1.504   8.781
  386   1HA   GLY  59          1HA       GLY  59   4.468  -3.532   9.202
  387   2HA   GLY  59          2HA       GLY  59   5.563  -3.759  10.551
  388    H    GLN  60           H        GLN  60   3.982  -0.687  10.671
  389    HA   GLN  60           HA       GLN  60   1.873  -1.801  12.334
  390   1HB   GLN  60          1HB       GLN  60   3.906   0.317  13.109
  391   2HB   GLN  60          2HB       GLN  60   2.342   0.240  13.896
  392   1HG   GLN  60          1HG       GLN  60   4.230  -2.151  13.697
  393   2HG   GLN  60          2HG       GLN  60   4.216  -1.051  15.062
  394   1HE2  GLN  60          1HE2      GLN  60   2.768  -3.726  13.539
  395   2HE2  GLN  60          2HE2      GLN  60   1.462  -4.012  14.640
  396    H    SER  61           H        SER  61   2.223  -0.524   9.535
  397    HA   SER  61           HA       SER  61  -0.036   1.202   9.802
  398   1HB   SER  61          1HB       SER  61   1.789   2.808  10.181
  399   2HB   SER  61          2HB       SER  61   2.622   2.257   8.742
  400    HG   SER  61           HG       SER  61   1.546   3.903   7.849
  401    H    ALA  62           H        ALA  62  -1.272   1.224   7.873
  402    HA   ALA  62           HA       ALA  62  -0.437  -0.614   5.830
  403   1HB   ALA  62          1HB       ALA  62  -2.670  -0.053   4.874
  404   2HB   ALA  62          2HB       ALA  62  -2.765  -0.537   6.584
  405   3HB   ALA  62          3HB       ALA  62  -2.878   1.182   6.139
  406    H    ASP  63           H        ASP  63  -0.179   2.803   6.504
  407    HA   ASP  63           HA       ASP  63   0.388   3.280   3.688
  408   1HB   ASP  63          1HB       ASP  63  -1.364   4.722   4.741
  409   2HB   ASP  63          2HB       ASP  63  -0.211   5.240   5.955
  410    H    CYS  64           H        CYS  64   2.319   4.765   3.271
  411    HA   CYS  64           HA       CYS  64   4.502   3.949   4.909
  412   1HB   CYS  64          1HB       CYS  64   4.458   4.269   2.362
  413   2HB   CYS  64          2HB       CYS  64   4.608   5.985   2.688
  414    HA   PRO  65           HA       PRO  65   4.040   7.508   7.464
  415   1HB   PRO  65          1HB       PRO  65   5.929   6.849   9.325
  416   2HB   PRO  65          2HB       PRO  65   4.274   6.276   9.395
  417   1HG   PRO  65          1HG       PRO  65   6.714   4.803   8.610
  418   2HG   PRO  65          2HG       PRO  65   5.155   4.166   9.091
  419   1HD   PRO  65          1HD       PRO  65   6.191   4.329   6.422
  420   2HD   PRO  65          2HD       PRO  65   4.588   3.800   6.894
  421    H    ARG  66           H        ARG  66   7.444   6.550   7.440
  422    HA   ARG  66           HA       ARG  66   8.215   8.832   6.033
  423   1HB   ARG  66          1HB       ARG  66   7.400   9.845   8.256
  424   2HB   ARG  66          2HB       ARG  66   8.712   8.992   9.045
  425   1HG   ARG  66          1HG       ARG  66  10.232  10.160   7.216
  426   2HG   ARG  66          2HG       ARG  66   8.873  11.252   7.029
  427   1HD   ARG  66          1HD       ARG  66  10.327  12.257   8.673
  428   2HD   ARG  66          2HD       ARG  66   8.941  11.645   9.555
  429    HE   ARG  66           HE       ARG  66  10.313  10.033  10.584
  430   1HH1  ARG  66          2HH2      ARG  66  12.030  11.394   7.802
  431   2HH1  ARG  66          1HH2      ARG  66  13.565  10.742   8.272
  432   1HH2  ARG  66          1HH1      ARG  66  13.721   9.435  10.275
  433    H    TYR  67           H        TYR  67   9.114   6.672   8.820
  434    HA   TYR  67           HA       TYR  67  11.122   5.432   7.197
  435   1HB   TYR  67          1HB       TYR  67  12.079   7.639   8.261
  436   2HB   TYR  67          2HB       TYR  67  11.855   6.867   9.819
  437    HD1  TYR  67           HD1      TYR  67  13.636   5.690  10.747
  438    HD2  TYR  67           HD2      TYR  67  13.493   6.219   6.504
  439    HE1  TYR  67           HE1      TYR  67  15.923   4.601  10.527
  440    HE2  TYR  67           HE2      TYR  67  15.781   5.128   6.298
  441    HH   TYR  67           HH       TYR  67  17.483   3.951   9.190
  442    H    HIS  68           H        HIS  68  12.315   3.689   8.566
  443    HA   HIS  68           HA       HIS  68  10.404   2.115   9.827
  444   1HB   HIS  68          1HB       HIS  68  12.340   1.165   8.750
  445   2HB   HIS  68          2HB       HIS  68  13.429   2.010   9.832
  446    HD1  HIS  68           HD1      HIS  68  11.064  -0.929   9.696
  447    HD2  HIS  68           HD2      HIS  68  13.774   0.831  12.371
  448    HE1  HIS  68           HE1      HIS  68  11.388  -2.605  11.593
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1 -25.772   3.233   6.643
    2   2H    GLY   1          2H        GLY   1 -25.584   2.261   7.970
    3   3H    GLY   1          3H        GLY   1 -26.143   3.809   8.150
    4   1HA   GLY   1          1HA       GLY   1 -24.081   4.719   7.440
    5   2HA   GLY   1          2HA       GLY   1 -23.876   3.676   8.832
    6    H    LYS   2           H        LYS   2 -23.521   3.913   5.274
    7    HA   LYS   2           HA       LYS   2 -22.225   1.350   5.117
    8   1HB   LYS   2          1HB       LYS   2 -22.716   3.541   3.081
    9   2HB   LYS   2          2HB       LYS   2 -21.919   2.024   2.715
   10   1HG   LYS   2          1HG       LYS   2 -23.936   0.769   3.492
   11   2HG   LYS   2          2HG       LYS   2 -24.733   2.281   3.878
   12   1HD   LYS   2          1HD       LYS   2 -23.664   1.780   1.078
   13   2HD   LYS   2          2HD       LYS   2 -25.222   1.138   1.559
   14   1HE   LYS   2          1HE       LYS   2 -24.429   4.086   1.736
   15   2HE   LYS   2          2HE       LYS   2 -25.393   3.389   0.447
   16   1HZ   LYS   2          1HZ       LYS   2 -26.781   4.371   2.204
   17   2HZ   LYS   2          2HZ       LYS   2 -27.071   2.772   2.092
   18    H    GLU   3           H        GLU   3 -20.010   0.955   4.788
   19    HA   GLU   3           HA       GLU   3 -18.252   3.202   4.660
   20   1HB   GLU   3          1HB       GLU   3 -18.729   2.963   7.120
   21   2HB   GLU   3          2HB       GLU   3 -18.103   1.327   7.062
   22   1HG   GLU   3          1HG       GLU   3 -16.350   3.507   5.949
   23   2HG   GLU   3          2HG       GLU   3 -16.547   3.452   7.690
   24    H    CYS   4           H        CYS   4 -16.255   2.639   3.715
   25    HA   CYS   4           HA       CYS   4 -16.177  -0.146   2.834
   26   1HB   CYS   4          1HB       CYS   4 -14.963   2.330   1.590
   27   2HB   CYS   4          2HB       CYS   4 -14.767   0.698   0.981
   28    H    ASP   5           H        ASP   5 -14.408  -1.420   3.445
   29    HA   ASP   5           HA       ASP   5 -12.392  -0.392   5.079
   30   1HB   ASP   5          1HB       ASP   5 -12.669  -2.910   3.394
   31   2HB   ASP   5          2HB       ASP   5 -11.209  -2.596   4.312
   32    H    CYS   6           H        CYS   6 -12.929  -0.664   1.575
   33    HA   CYS   6           HA       CYS   6 -10.134   0.027   1.075
   34   1HB   CYS   6          1HB       CYS   6 -12.245  -1.104  -0.772
   35   2HB   CYS   6          2HB       CYS   6 -10.638  -0.622  -1.277
   36    H    SER   7           H        SER   7 -10.008   1.528  -1.052
   37    HA   SER   7           HA       SER   7 -11.749   3.758  -0.506
   38   1HB   SER   7          1HB       SER   7  -9.390   3.533  -2.427
   39   2HB   SER   7          2HB       SER   7 -10.216   5.016  -1.994
   40    HG   SER   7           HG       SER   7  -9.508   4.746   0.200
   41    H    SER   8           H        SER   8 -11.612   1.013  -2.568
   42    HA   SER   8           HA       SER   8 -13.266   2.315  -4.547
   43   1HB   SER   8          1HB       SER   8 -10.669   0.860  -5.211
   44   2HB   SER   8          2HB       SER   8 -11.851   1.366  -6.401
   45    HG   SER   8           HG       SER   8 -11.511   3.587  -5.714
   46    HA   PRO   9           HA       PRO   9 -14.917  -1.798  -4.691
   47   1HB   PRO   9          1HB       PRO   9 -16.423  -1.603  -6.963
   48   2HB   PRO   9          2HB       PRO   9 -16.994  -1.089  -5.388
   49   1HG   PRO   9          1HG       PRO   9 -16.083   0.567  -7.662
   50   2HG   PRO   9          2HG       PRO   9 -17.038   1.042  -6.272
   51   1HD   PRO   9          1HD       PRO   9 -14.251   1.568  -6.701
   52   2HD   PRO   9          2HD       PRO   9 -15.179   1.941  -5.261
   53    H    GLU  10           H        GLU  10 -13.096  -0.348  -7.217
   54    HA   GLU  10           HA       GLU  10 -12.731  -2.717  -8.667
   55   1HB   GLU  10          1HB       GLU  10 -11.357  -0.034  -8.533
   56   2HB   GLU  10          2HB       GLU  10 -10.565  -1.337  -9.397
   57   1HG   GLU  10          1HG       GLU  10 -11.954  -0.056 -10.962
   58   2HG   GLU  10          2HG       GLU  10 -12.620  -1.667 -10.785
   59    H    ASN  11           H        ASN  11 -11.410  -1.457  -5.671
   60    HA   ASN  11           HA       ASN  11  -8.948  -2.658  -5.666
   61   1HB   ASN  11          1HB       ASN  11 -10.079  -1.044  -3.934
   62   2HB   ASN  11          2HB       ASN  11 -10.744  -2.492  -3.204
   63   1HD2  ASN  11          1HD2      ASN  11  -8.609  -0.392  -2.525
   64   2HD2  ASN  11          2HD2      ASN  11  -7.256  -1.309  -1.952
   65    HA   PRO  12           HA       PRO  12 -10.515  -6.766  -5.742
   66   1HB   PRO  12          1HB       PRO  12  -8.154  -8.090  -6.115
   67   2HB   PRO  12          2HB       PRO  12  -9.062  -7.362  -7.426
   68   1HG   PRO  12          1HG       PRO  12  -6.579  -6.406  -6.137
   69   2HG   PRO  12          2HG       PRO  12  -7.258  -5.949  -7.686
   70   1HD   PRO  12          1HD       PRO  12  -7.339  -4.423  -5.259
   71   2HD   PRO  12          2HD       PRO  12  -8.116  -4.019  -6.777
   72    H    CYS  13           H        CYS  13  -8.540  -5.458  -3.373
   73    HA   CYS  13           HA       CYS  13  -8.454  -7.795  -1.757
   74   1HB   CYS  13          1HB       CYS  13  -8.081  -4.878  -1.045
   75   2HB   CYS  13          2HB       CYS  13  -7.776  -6.225   0.034
   76    H    CYS  14           H        CYS  14 -10.834  -5.429  -2.676
   77    HA   CYS  14           HA       CYS  14 -12.537  -6.363  -0.481
   78   1HB   CYS  14          1HB       CYS  14 -12.446  -3.735  -1.937
   79   2HB   CYS  14          2HB       CYS  14 -13.923  -4.279  -1.166
   80    H    ASP  15           H        ASP  15 -14.750  -7.017  -1.119
   81    HA   ASP  15           HA       ASP  15 -15.115  -7.558  -3.893
   82   1HB   ASP  15          1HB       ASP  15 -16.095  -8.883  -1.909
   83   2HB   ASP  15          2HB       ASP  15 -17.209  -7.551  -1.675
   84    H    ALA  16           H        ALA  16 -16.750  -6.459  -5.248
   85    HA   ALA  16           HA       ALA  16 -16.696  -3.662  -4.811
   86   1HB   ALA  16          1HB       ALA  16 -17.956  -3.618  -6.955
   87   2HB   ALA  16          2HB       ALA  16 -16.520  -4.666  -7.039
   88   3HB   ALA  16          3HB       ALA  16 -18.138  -5.386  -6.864
   89    H    ALA  17           H        ALA  17 -19.021  -6.284  -4.202
   90    HA   ALA  17           HA       ALA  17 -21.303  -4.596  -4.221
   91   1HB   ALA  17          1HB       ALA  17 -22.440  -6.620  -3.378
   92   2HB   ALA  17          2HB       ALA  17 -21.372  -7.008  -4.749
   93   3HB   ALA  17          3HB       ALA  17 -20.860  -7.389  -3.086
   94    H    THR  18           H        THR  18 -19.255  -6.103  -1.637
   95    HA   THR  18           HA       THR  18 -20.851  -4.751   0.383
   96    HB   THR  18           HB       THR  18 -19.432  -6.169   1.906
   97    HG1  THR  18           HG1      THR  18 -17.742  -7.336   0.892
   98   1HG2  THR  18          1HG2      THR  18 -20.313  -7.822  -0.511
   99   2HG2  THR  18          2HG2      THR  18 -20.201  -8.358   1.181
  100   3HG2  THR  18          3HG2      THR  18 -21.463  -7.200   0.696
  101    H    CYS  19           H        CYS  19 -17.879  -4.311  -1.411
  102    HA   CYS  19           HA       CYS  19 -16.443  -2.650  -1.422
  103   1HB   CYS  19          1HB       CYS  19 -18.623  -1.322  -0.844
  104   2HB   CYS  19          2HB       CYS  19 -17.886  -1.147   0.737
  105    H    LYS  20           H        LYS  20 -16.169  -5.009   0.307
  106    HA   LYS  20           HA       LYS  20 -14.673  -3.919   2.554
  107   1HB   LYS  20          1HB       LYS  20 -17.262  -4.423   3.003
  108   2HB   LYS  20          2HB       LYS  20 -16.660  -6.056   3.193
  109   1HG   LYS  20          1HG       LYS  20 -15.237  -5.465   5.006
  110   2HG   LYS  20          2HG       LYS  20 -15.245  -3.764   4.587
  111   1HD   LYS  20          1HD       LYS  20 -17.844  -5.120   5.358
  112   2HD   LYS  20          2HD       LYS  20 -16.719  -4.640   6.613
  113   1HE   LYS  20          1HE       LYS  20 -17.824  -2.761   4.469
  114   2HE   LYS  20          2HE       LYS  20 -18.444  -2.875   6.105
  115   1HZ   LYS  20          1HZ       LYS  20 -16.750  -1.078   5.744
  116   2HZ   LYS  20          2HZ       LYS  20 -16.364  -2.089   6.961
  117    H    LEU  21           H        LEU  21 -13.411  -5.723   3.688
  118    HA   LEU  21           HA       LEU  21 -11.786  -6.574   1.612
  119   1HB   LEU  21          1HB       LEU  21 -11.844  -7.261   4.549
  120   2HB   LEU  21          2HB       LEU  21 -10.581  -7.806   3.462
  121    HG   LEU  21           HG       LEU  21 -11.251  -4.882   3.854
  122   1HD1  LEU  21          1HD1      LEU  21  -9.354  -4.756   5.401
  123   2HD1  LEU  21          2HD1      LEU  21 -10.640  -5.821   6.020
  124   3HD1  LEU  21          3HD1      LEU  21  -9.165  -6.524   5.316
  125   1HD2  LEU  21          1HD2      LEU  21  -8.911  -4.591   3.005
  126   2HD2  LEU  21          2HD2      LEU  21  -8.892  -6.331   2.630
  127   3HD2  LEU  21          3HD2      LEU  21 -10.059  -5.258   1.820
  128    H    ARG  22           H        ARG  22 -11.720  -8.368   0.351
  129    HA   ARG  22           HA       ARG  22 -13.803 -10.241   0.634
  130   1HB   ARG  22          1HB       ARG  22 -11.926  -9.453  -1.383
  131   2HB   ARG  22          2HB       ARG  22 -11.665 -11.166  -1.124
  132   1HG   ARG  22          1HG       ARG  22 -13.781 -11.757  -1.882
  133   2HG   ARG  22          2HG       ARG  22 -14.526 -10.280  -1.303
  134   1HD   ARG  22          1HD       ARG  22 -14.461 -10.315  -3.784
  135   2HD   ARG  22          2HD       ARG  22 -13.493  -8.993  -3.159
  136    HE   ARG  22           HE       ARG  22 -11.773 -11.243  -3.421
  137   1HH1  ARG  22          2HH2      ARG  22 -13.518  -8.923  -5.449
  138   2HH1  ARG  22          1HH2      ARG  22 -12.520  -9.196  -6.839
  139   1HH2  ARG  22          1HH1      ARG  22 -10.712 -10.762  -6.695
  140    HA   PRO  23           HA       PRO  23 -10.242 -13.195   1.527
  141   1HB   PRO  23          1HB       PRO  23  -7.670 -12.318   1.819
  142   2HB   PRO  23          2HB       PRO  23  -8.332 -12.852   0.287
  143   1HG   PRO  23          1HG       PRO  23  -7.774 -10.098   1.206
  144   2HG   PRO  23          2HG       PRO  23  -8.025 -10.682  -0.428
  145   1HD   PRO  23          1HD       PRO  23  -9.910  -9.247   1.189
  146   2HD   PRO  23          2HD       PRO  23 -10.197  -9.930  -0.399
  147    H    GLY  24           H        GLY  24  -8.551 -13.892   3.389
  148   1HA   GLY  24          1HA       GLY  24  -9.320 -12.625   5.844
  149   2HA   GLY  24          2HA       GLY  24  -8.050 -13.808   5.598
  150    H    ALA  25           H        ALA  25  -8.827 -10.335   4.818
  151    HA   ALA  25           HA       ALA  25  -5.946  -9.893   4.563
  152   1HB   ALA  25          1HB       ALA  25  -7.222  -7.629   3.632
  153   2HB   ALA  25          2HB       ALA  25  -6.718  -9.008   2.626
  154   3HB   ALA  25          3HB       ALA  25  -8.389  -8.911   3.229
  155    H    GLN  26           H        GLN  26  -5.150  -7.689   5.352
  156    HA   GLN  26           HA       GLN  26  -6.563  -6.970   7.783
  157   1HB   GLN  26          1HB       GLN  26  -3.769  -6.278   6.778
  158   2HB   GLN  26          2HB       GLN  26  -4.455  -5.628   8.254
  159   1HG   GLN  26          1HG       GLN  26  -4.689  -7.884   9.206
  160   2HG   GLN  26          2HG       GLN  26  -4.191  -8.618   7.695
  161   1HE2  GLN  26          1HE2      GLN  26  -3.224  -7.387  10.674
  162   2HE2  GLN  26          2HE2      GLN  26  -1.505  -7.388  10.459
  163    H    CYS  27           H        CYS  27  -5.381  -5.683   4.635
  164    HA   CYS  27           HA       CYS  27  -7.050  -3.345   5.023
  165   1HB   CYS  27          1HB       CYS  27  -5.190  -1.824   4.389
  166   2HB   CYS  27          2HB       CYS  27  -5.049  -2.531   5.987
  167    H    GLY  28           H        GLY  28  -7.136  -2.070   2.871
  168   1HA   GLY  28          1HA       GLY  28  -6.356  -3.773   0.578
  169   2HA   GLY  28          2HA       GLY  28  -7.833  -2.830   0.625
  170    H    GLU  29           H        GLU  29  -5.552  -1.007   2.328
  171    HA   GLU  29           HA       GLU  29  -4.943   0.518  -0.048
  172   1HB   GLU  29          1HB       GLU  29  -6.940   1.338   2.080
  173   2HB   GLU  29          2HB       GLU  29  -6.057   2.555   1.181
  174   1HG   GLU  29          1HG       GLU  29  -7.626   0.318  -0.178
  175   2HG   GLU  29          2HG       GLU  29  -8.338   1.871   0.211
  176    H    GLY  30           H        GLY  30  -3.477   2.373   0.412
  177   1HA   GLY  30          1HA       GLY  30  -2.149   3.566   1.995
  178   2HA   GLY  30          2HA       GLY  30  -2.145   2.158   3.037
  179    H    LEU  31           H        LEU  31   0.181   3.657   1.960
  180    HA   LEU  31           HA       LEU  31   1.231   2.414  -0.306
  181   1HB   LEU  31          1HB       LEU  31   2.257   4.151   1.884
  182   2HB   LEU  31          2HB       LEU  31   3.433   3.304   0.900
  183    HG   LEU  31           HG       LEU  31   2.923   5.635   0.160
  184   1HD1  LEU  31          1HD1      LEU  31   3.872   3.901  -1.348
  185   2HD1  LEU  31          2HD1      LEU  31   2.223   3.532  -1.905
  186   3HD1  LEU  31          3HD1      LEU  31   2.920   5.144  -2.195
  187   1HD2  LEU  31          1HD2      LEU  31   0.242   4.497  -0.676
  188   2HD2  LEU  31          2HD2      LEU  31   0.509   5.604   0.693
  189   3HD2  LEU  31          3HD2      LEU  31   0.847   6.145  -0.969
  190    H    CYS  32           H        CYS  32   1.161   1.494   3.128
  191    HA   CYS  32           HA       CYS  32   3.322  -0.398   2.643
  192   1HB   CYS  32          1HB       CYS  32   2.184   0.886   5.106
  193   2HB   CYS  32          2HB       CYS  32   3.079  -0.616   5.236
  194    H    CYS  33           H        CYS  33   0.257  -0.471   1.897
  195    HA   CYS  33           HA       CYS  33  -0.412  -2.931   3.299
  196   1HB   CYS  33          1HB       CYS  33  -2.093  -1.088   3.049
  197   2HB   CYS  33          2HB       CYS  33  -2.079  -1.366   1.320
  198    H    GLU  34           H        GLU  34   0.712  -4.645   2.382
  199    HA   GLU  34           HA       GLU  34   0.509  -4.836  -0.521
  200   1HB   GLU  34          1HB       GLU  34   2.841  -5.642   1.267
  201   2HB   GLU  34          2HB       GLU  34   2.708  -6.114  -0.415
  202   1HG   GLU  34          1HG       GLU  34   2.607  -3.701  -1.082
  203   2HG   GLU  34          2HG       GLU  34   2.748  -3.232   0.601
  204    H    GLN  35           H        GLN  35  -0.071  -6.884  -1.373
  205    HA   GLN  35           HA       GLN  35  -1.236  -8.714  -1.369
  206   1HB   GLN  35          1HB       GLN  35   0.977  -9.468  -0.162
  207   2HB   GLN  35          2HB       GLN  35  -0.025  -9.579   1.271
  208   1HG   GLN  35          1HG       GLN  35  -1.602 -11.095   0.012
  209   2HG   GLN  35          2HG       GLN  35  -0.532 -11.025  -1.374
  210   1HE2  GLN  35          1HE2      GLN  35  -1.421 -13.183   0.538
  211   2HE2  GLN  35          2HE2      GLN  35   0.031 -13.969   1.063
  212    H    CYS  36           H        CYS  36  -2.331  -6.321  -0.040
  213    HA   CYS  36           HA       CYS  36  -4.161  -5.736   1.019
  214   1HB   CYS  36          1HB       CYS  36  -4.947  -8.641   1.234
  215   2HB   CYS  36          2HB       CYS  36  -5.995  -7.237   1.266
  216    H    LYS  37           H        LYS  37  -1.595  -6.532   2.407
  217    HA   LYS  37           HA       LYS  37  -2.711  -6.819   5.082
  218   1HB   LYS  37          1HB       LYS  37  -0.715  -8.697   3.815
  219   2HB   LYS  37          2HB       LYS  37  -0.786  -8.470   5.551
  220   1HG   LYS  37          1HG       LYS  37  -3.234  -9.060   5.506
  221   2HG   LYS  37          2HG       LYS  37  -3.119  -9.344   3.780
  222   1HD   LYS  37          1HD       LYS  37  -1.299 -10.794   5.742
  223   2HD   LYS  37          2HD       LYS  37  -2.903 -11.398   5.375
  224   1HE   LYS  37          1HE       LYS  37  -2.292 -11.390   2.914
  225   2HE   LYS  37          2HE       LYS  37  -0.666 -10.905   3.352
  226   1HZ   LYS  37          1HZ       LYS  37  -0.860 -13.327   3.106
  227   2HZ   LYS  37          2HZ       LYS  37  -0.445 -12.957   4.636
  228    H    PHE  38           H        PHE  38  -0.943  -6.336   6.769
  229    HA   PHE  38           HA       PHE  38   0.290  -3.900   6.016
  230   1HB   PHE  38          1HB       PHE  38   0.194  -5.783   8.418
  231   2HB   PHE  38          2HB       PHE  38   1.330  -4.450   8.443
  232    HD1  PHE  38           HD1      PHE  38  -2.247  -4.834   7.412
  233    HD2  PHE  38           HD2      PHE  38   0.593  -2.698   9.730
  234    HE1  PHE  38           HE1      PHE  38  -4.062  -3.304   8.226
  235    HE2  PHE  38           HE2      PHE  38  -1.221  -1.168  10.544
  236    HZ   PHE  38           HZ       PHE  38  -3.528  -1.489   9.783
  237    H    SER  39           H        SER  39   2.353  -3.498   5.293
  238    HA   SER  39           HA       SER  39   3.654  -5.790   4.307
  239   1HB   SER  39          1HB       SER  39   3.630  -3.832   2.922
  240   2HB   SER  39          2HB       SER  39   4.247  -2.812   4.206
  241    HG   SER  39           HG       SER  39   5.782  -3.612   2.429
  242    H    ARG  40           H        ARG  40   6.384  -5.375   4.436
  243    HA   ARG  40           HA       ARG  40   6.670  -6.371   7.096
  244   1HB   ARG  40          1HB       ARG  40   7.605  -7.546   5.050
  245   2HB   ARG  40          2HB       ARG  40   8.725  -6.216   4.833
  246   1HG   ARG  40          1HG       ARG  40   9.675  -6.654   7.114
  247   2HG   ARG  40          2HG       ARG  40   8.568  -7.998   7.312
  248   1HD   ARG  40          1HD       ARG  40  10.800  -8.796   6.571
  249   2HD   ARG  40          2HD       ARG  40   9.579  -9.162   5.368
  250    HE   ARG  40           HE       ARG  40  10.672  -7.737   3.877
  251   1HH1  ARG  40          2HH2      ARG  40  11.890  -7.107   7.139
  252   2HH1  ARG  40          1HH2      ARG  40  12.921  -5.807   6.641
  253   1HH2  ARG  40          1HH1      ARG  40  13.068  -5.257   4.313
  254    H    ALA  41           H        ALA  41   8.069  -5.511   8.716
  255    HA   ALA  41           HA       ALA  41   8.481  -2.761   8.714
  256   1HB   ALA  41          1HB       ALA  41   9.870  -4.926  10.346
  257   2HB   ALA  41          2HB       ALA  41   9.747  -3.202  10.769
  258   3HB   ALA  41          3HB       ALA  41   8.282  -4.213  10.721
  259    H    GLY  42           H        GLY  42   9.805  -1.635   7.375
  260   1HA   GLY  42          1HA       GLY  42  12.071  -0.954   7.101
  261   2HA   GLY  42          2HA       GLY  42  12.570  -2.634   7.119
  262    H    LYS  43           H        LYS  43   9.774  -2.855   5.416
  263    HA   LYS  43           HA       LYS  43  11.060  -3.014   2.909
  264   1HB   LYS  43          1HB       LYS  43   9.023  -4.310   3.778
  265   2HB   LYS  43          2HB       LYS  43   8.077  -2.889   3.383
  266   1HG   LYS  43          1HG       LYS  43   7.908  -4.034   1.367
  267   2HG   LYS  43          2HG       LYS  43   9.337  -3.076   1.034
  268   1HD   LYS  43          1HD       LYS  43  10.156  -5.165   0.441
  269   2HD   LYS  43          2HD       LYS  43  10.598  -5.171   2.137
  270   1HE   LYS  43          1HE       LYS  43   8.249  -6.248   2.552
  271   2HE   LYS  43          2HE       LYS  43   8.217  -6.534   0.823
  272   1HZ   LYS  43          1HZ       LYS  43   9.174  -8.433   1.979
  273   2HZ   LYS  43          2HZ       LYS  43  10.336  -7.752   1.063
  274    H    ILE  44           H        ILE  44  11.137  -1.593   1.180
  275    HA   ILE  44           HA       ILE  44  10.884   1.146   1.844
  276    HB   ILE  44           HB       ILE  44  11.368  -0.199  -0.816
  277   1HG1  ILE  44          1HG1      ILE  44  13.089  -0.951   0.590
  278   2HG1  ILE  44          2HG1      ILE  44  13.779   0.405  -0.279
  279   1HG2  ILE  44          1HG2      ILE  44  10.689   2.048  -1.220
  280   2HG2  ILE  44          2HG2      ILE  44  11.713   2.664   0.099
  281   3HG2  ILE  44          3HG2      ILE  44  12.462   1.995  -1.370
  282   1HD1  ILE  44          1HD1      ILE  44  14.418   0.781   1.978
  283   2HD1  ILE  44          2HD1      ILE  44  13.023   1.862   1.745
  284   3HD1  ILE  44          3HD1      ILE  44  12.817   0.314   2.599
  285    H    CYS  45           H        CYS  45   9.110   2.412   1.798
  286    HA   CYS  45           HA       CYS  45   6.739   1.303   0.563
  287   1HB   CYS  45          1HB       CYS  45   5.499   2.894   1.803
  288   2HB   CYS  45          2HB       CYS  45   6.686   2.187   2.881
  289    H    ARG  46           H        ARG  46   9.159   3.913   0.244
  290    HA   ARG  46           HA       ARG  46   7.828   4.797  -2.152
  291   1HB   ARG  46          1HB       ARG  46   7.058   6.144  -0.028
  292   2HB   ARG  46          2HB       ARG  46   8.661   6.850  -0.062
  293   1HG   ARG  46          1HG       ARG  46   8.300   7.714  -2.334
  294   2HG   ARG  46          2HG       ARG  46   6.772   6.866  -2.461
  295   1HD   ARG  46          1HD       ARG  46   7.368   9.051  -0.406
  296   2HD   ARG  46          2HD       ARG  46   6.503   9.312  -1.908
  297    HE   ARG  46           HE       ARG  46   4.715   7.829  -1.082
  298   1HH1  ARG  46          2HH2      ARG  46   7.250   8.088   1.336
  299   2HH1  ARG  46          1HH2      ARG  46   6.162   8.263   2.673
  300   1HH2  ARG  46          1HH1      ARG  46   3.803   8.023   2.279
  301    H    ILE  47           H        ILE  47   9.292   5.741  -3.675
  302    HA   ILE  47           HA       ILE  47  12.070   5.256  -3.052
  303    HB   ILE  47           HB       ILE  47  10.794   6.195  -5.622
  304   1HG1  ILE  47          1HG1      ILE  47   9.737   4.135  -5.090
  305   2HG1  ILE  47          2HG1      ILE  47  10.961   3.787  -6.295
  306   1HG2  ILE  47          1HG2      ILE  47  12.826   5.346  -6.674
  307   2HG2  ILE  47          2HG2      ILE  47  13.202   6.613  -5.482
  308   3HG2  ILE  47          3HG2      ILE  47  13.481   4.902  -5.079
  309   1HD1  ILE  47          1HD1      ILE  47  11.161   2.078  -4.610
  310   2HD1  ILE  47          2HD1      ILE  47  12.540   3.176  -4.368
  311   3HD1  ILE  47          3HD1      ILE  47  11.122   3.277  -3.296
  312    HA   PRO  48           HA       PRO  48  12.867   9.459  -2.229
  313   1HB   PRO  48          1HB       PRO  48  15.592   9.319  -2.065
  314   2HB   PRO  48          2HB       PRO  48  14.530   8.936  -0.724
  315   1HG   PRO  48          1HG       PRO  48  16.050   7.096  -2.467
  316   2HG   PRO  48          2HG       PRO  48  15.341   6.785  -0.895
  317   1HD   PRO  48          1HD       PRO  48  14.307   5.955  -3.439
  318   2HD   PRO  48          2HD       PRO  48  13.540   5.746  -1.876
  319    H    ARG  49           H        ARG  49  14.060  11.399  -3.103
  320    HA   ARG  49           HA       ARG  49  15.479  10.685  -5.505
  321   1HB   ARG  49          1HB       ARG  49  14.529  12.669  -6.734
  322   2HB   ARG  49          2HB       ARG  49  13.318  11.451  -6.384
  323   1HG   ARG  49          1HG       ARG  49  12.632  12.757  -4.339
  324   2HG   ARG  49          2HG       ARG  49  13.801  13.993  -4.758
  325   1HD   ARG  49          1HD       ARG  49  12.630  14.356  -6.946
  326   2HD   ARG  49          2HD       ARG  49  11.457  13.126  -6.520
  327    HE   ARG  49           HE       ARG  49  11.551  15.039  -4.397
  328   1HH1  ARG  49          2HH2      ARG  49  10.493  14.812  -7.770
  329   2HH1  ARG  49          1HH2      ARG  49   9.264  16.020  -7.596
  330   1HH2  ARG  49          1HH1      ARG  49   8.953  17.078  -5.468
  331    H    GLY  50           H        GLY  50  17.017  12.503  -6.179
  332   1HA   GLY  50          1HA       GLY  50  18.489  14.159  -5.700
  333   2HA   GLY  50          2HA       GLY  50  17.527  14.618  -4.309
  334    H    ASP  51           H        ASP  51  18.254  14.095  -2.267
  335    HA   ASP  51           HA       ASP  51  20.040  11.813  -2.096
  336   1HB   ASP  51          1HB       ASP  51  21.330  14.010  -2.042
  337   2HB   ASP  51          2HB       ASP  51  20.442  14.442  -0.595
  338    H    MET  52           H        MET  52  17.105  12.386  -1.550
  339    HA   MET  52           HA       MET  52  16.841  12.604   1.254
  340   1HB   MET  52          1HB       MET  52  15.080  12.060  -1.137
  341   2HB   MET  52          2HB       MET  52  14.457  11.536   0.415
  342   1HG   MET  52          1HG       MET  52  13.657  13.791   0.090
  343   2HG   MET  52          2HG       MET  52  14.913  13.887   1.309
  344   1HE   MET  52          1HE       MET  52  17.282  14.838   0.950
  345   2HE   MET  52          2HE       MET  52  17.299  16.338  -0.008
  346   3HE   MET  52          3HE       MET  52  16.029  16.075   1.211
  347    HA   PRO  53           HA       PRO  53  17.057   8.349   2.301
  348   1HB   PRO  53          1HB       PRO  53  15.471   8.249   4.523
  349   2HB   PRO  53          2HB       PRO  53  17.137   8.787   4.559
  350   1HG   PRO  53          1HG       PRO  53  14.665  10.399   4.718
  351   2HG   PRO  53          2HG       PRO  53  16.298  10.846   5.171
  352   1HD   PRO  53          1HD       PRO  53  14.893  11.647   2.801
  353   2HD   PRO  53          2HD       PRO  53  16.564  11.999   3.199
  354    H    ASP  54           H        ASP  54  16.149   6.345   1.904
  355    HA   ASP  54           HA       ASP  54  13.707   6.406   0.546
  356   1HB   ASP  54          1HB       ASP  54  13.852   3.871   0.833
  357   2HB   ASP  54          2HB       ASP  54  15.230   4.621   0.052
  358    H    ASP  55           H        ASP  55  11.595   6.149   1.370
  359    HA   ASP  55           HA       ASP  55  11.391   6.256   4.218
  360   1HB   ASP  55          1HB       ASP  55   9.254   6.294   2.034
  361   2HB   ASP  55          2HB       ASP  55   8.945   6.600   3.732
  362    H    ARG  56           H        ARG  56  10.067   4.676   5.485
  363    HA   ARG  56           HA       ARG  56  10.203   2.099   4.140
  364   1HB   ARG  56          1HB       ARG  56  11.387   2.930   6.828
  365   2HB   ARG  56          2HB       ARG  56  11.138   1.246   6.411
  366   1HG   ARG  56          1HG       ARG  56  12.632   1.419   4.487
  367   2HG   ARG  56          2HG       ARG  56  12.727   3.162   4.645
  368   1HD   ARG  56          1HD       ARG  56  13.907   2.960   6.797
  369   2HD   ARG  56          2HD       ARG  56  13.683   1.223   6.805
  370    HE   ARG  56           HE       ARG  56  15.014   1.986   4.375
  371   1HH1  ARG  56          2HH2      ARG  56  15.647   1.787   7.855
  372   2HH1  ARG  56          1HH2      ARG  56  17.333   1.442   7.654
  373   1HH2  ARG  56          1HH1      ARG  56  18.254   1.334   5.443
  374    H    CYS  57           H        CYS  57   8.856   0.382   5.158
  375    HA   CYS  57           HA       CYS  57   6.557   1.427   6.512
  376   1HB   CYS  57          1HB       CYS  57   7.331  -1.398   5.756
  377   2HB   CYS  57          2HB       CYS  57   5.808  -0.946   6.494
  378    H    THR  58           H        THR  58   6.006   1.016   8.725
  379    HA   THR  58           HA       THR  58   8.210   0.238  10.435
  380    HB   THR  58           HB       THR  58   6.329   0.770  12.181
  381    HG1  THR  58           HG1      THR  58   4.515   1.817  11.147
  382   1HG2  THR  58          1HG2      THR  58   8.025   2.499  11.633
  383   2HG2  THR  58          2HG2      THR  58   7.157   2.891  10.130
  384   3HG2  THR  58          3HG2      THR  58   6.410   3.244  11.706
  385    H    GLY  59           H        GLY  59   5.479  -1.265   8.857
  386   1HA   GLY  59          1HA       GLY  59   4.636  -3.361   9.034
  387   2HA   GLY  59          2HA       GLY  59   5.865  -3.761  10.219
  388    H    GLN  60           H        GLN  60   4.158  -0.811  10.920
  389    HA   GLN  60           HA       GLN  60   2.241  -2.294  12.536
  390   1HB   GLN  60          1HB       GLN  60   4.001   0.037  13.376
  391   2HB   GLN  60          2HB       GLN  60   2.524  -0.350  14.234
  392   1HG   GLN  60          1HG       GLN  60   4.728  -2.398  13.725
  393   2HG   GLN  60          2HG       GLN  60   4.664  -1.409  15.170
  394   1HE2  GLN  60          1HE2      GLN  60   3.477  -4.148  13.522
  395   2HE2  GLN  60          2HE2      GLN  60   2.326  -4.706  14.689
  396    H    SER  61           H        SER  61   2.362  -0.719   9.830
  397    HA   SER  61           HA       SER  61  -0.087   0.681  10.285
  398   1HB   SER  61          1HB       SER  61   1.599   2.421  10.825
  399   2HB   SER  61          2HB       SER  61   2.383   2.165   9.279
  400    HG   SER  61           HG       SER  61  -0.221   3.284   9.803
  401    H    ALA  62           H        ALA  62  -1.369   0.646   8.407
  402    HA   ALA  62           HA       ALA  62  -0.349  -0.762   6.138
  403   1HB   ALA  62          1HB       ALA  62  -2.972   0.686   6.685
  404   2HB   ALA  62          2HB       ALA  62  -2.647  -0.324   5.256
  405   3HB   ALA  62          3HB       ALA  62  -2.656  -1.055   6.879
  406    H    ASP  63           H        ASP  63  -0.621   2.590   7.199
  407    HA   ASP  63           HA       ASP  63   0.011   3.506   4.542
  408   1HB   ASP  63          1HB       ASP  63  -1.491   4.903   5.863
  409   2HB   ASP  63          2HB       ASP  63  -0.384   4.908   7.221
  410    H    CYS  64           H        CYS  64   2.053   4.854   4.225
  411    HA   CYS  64           HA       CYS  64   4.232   3.979   5.888
  412   1HB   CYS  64          1HB       CYS  64   4.277   4.341   3.342
  413   2HB   CYS  64          2HB       CYS  64   4.373   6.052   3.707
  414    HA   PRO  65           HA       PRO  65   3.911   7.652   8.357
  415   1HB   PRO  65          1HB       PRO  65   5.936   7.046  10.091
  416   2HB   PRO  65          2HB       PRO  65   4.278   6.533  10.336
  417   1HG   PRO  65          1HG       PRO  65   6.599   4.935   9.442
  418   2HG   PRO  65          2HG       PRO  65   5.069   4.381  10.094
  419   1HD   PRO  65          1HD       PRO  65   5.875   4.347   7.341
  420   2HD   PRO  65          2HD       PRO  65   4.305   3.901   7.980
  421    H    ARG  66           H        ARG  66   7.265   6.575   8.106
  422    HA   ARG  66           HA       ARG  66   7.842   8.539   6.200
  423   1HB   ARG  66          1HB       ARG  66   7.592   9.906   8.387
  424   2HB   ARG  66          2HB       ARG  66   9.031   9.086   8.959
  425   1HG   ARG  66          1HG       ARG  66  10.138   9.884   6.725
  426   2HG   ARG  66          2HG       ARG  66   8.771  10.970   6.586
  427   1HD   ARG  66          1HD       ARG  66  10.498  12.225   7.702
  428   2HD   ARG  66          2HD       ARG  66   9.324  11.823   8.941
  429    HE   ARG  66           HE       ARG  66  10.883  10.369   9.949
  430   1HH1  ARG  66          2HH2      ARG  66  12.014  11.184   6.693
  431   2HH1  ARG  66          1HH2      ARG  66  13.640  10.666   6.992
  432   1HH2  ARG  66          1HH1      ARG  66  14.203   9.743   9.131
  433    H    TYR  67           H        TYR  67   9.223   6.767   9.063
  434    HA   TYR  67           HA       TYR  67  10.998   5.301   7.342
  435   1HB   TYR  67          1HB       TYR  67  11.953   7.708   7.941
  436   2HB   TYR  67          2HB       TYR  67  12.094   7.099   9.578
  437    HD1  TYR  67           HD1      TYR  67  13.895   5.662  10.217
  438    HD2  TYR  67           HD2      TYR  67  13.292   6.633   6.095
  439    HE1  TYR  67           HE1      TYR  67  16.165   4.670   9.645
  440    HE2  TYR  67           HE2      TYR  67  15.564   5.637   5.536
  441    HH   TYR  67           HH       TYR  67  17.493   4.034   8.032
  442    H    HIS  68           H        HIS  68  12.395   3.760   8.686
  443    HA   HIS  68           HA       HIS  68  10.663   2.658  10.691
  444   1HB   HIS  68          1HB       HIS  68  11.640   1.194   9.032
  445   2HB   HIS  68          2HB       HIS  68  13.261   1.708   9.458
  446    HD1  HIS  68           HD1      HIS  68  10.442  -0.498  10.618
  447    HD2  HIS  68           HD2      HIS  68  14.316   0.561  11.828
  448    HE1  HIS  68           HE1      HIS  68  11.103  -2.163  12.435
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -21.682   8.776   2.128
    2   2H    GLY   1          2H        GLY   1 -21.012   7.405   1.485
    3   3H    GLY   1          3H        GLY   1 -22.654   7.615   1.457
    4   1HA   GLY   1          1HA       GLY   1 -21.361   7.691   4.030
    5   2HA   GLY   1          2HA       GLY   1 -22.956   7.104   3.600
    6    H    LYS   2           H        LYS   2 -22.426   5.139   4.895
    7    HA   LYS   2           HA       LYS   2 -21.418   3.243   5.405
    8   1HB   LYS   2          1HB       LYS   2 -22.188   3.000   2.794
    9   2HB   LYS   2          2HB       LYS   2 -20.482   2.621   2.670
   10   1HG   LYS   2          1HG       LYS   2 -20.867   1.046   4.717
   11   2HG   LYS   2          2HG       LYS   2 -22.578   1.244   4.392
   12   1HD   LYS   2          1HD       LYS   2 -20.544   0.275   2.328
   13   2HD   LYS   2          2HD       LYS   2 -21.556  -0.789   3.284
   14   1HE   LYS   2          1HE       LYS   2 -23.579   0.546   2.344
   15   2HE   LYS   2          2HE       LYS   2 -22.450   1.243   1.198
   16   1HZ   LYS   2          1HZ       LYS   2 -21.909  -1.010   0.439
   17   2HZ   LYS   2          2HZ       LYS   2 -22.931  -1.672   1.520
   18    H    GLU   3           H        GLU   3 -19.059   2.001   4.125
   19    HA   GLU   3           HA       GLU   3 -17.059   4.031   4.137
   20   1HB   GLU   3          1HB       GLU   3 -17.681   2.933   6.619
   21   2HB   GLU   3          2HB       GLU   3 -16.336   1.937   6.100
   22   1HG   GLU   3          1HG       GLU   3 -16.296   4.992   6.078
   23   2HG   GLU   3          2HG       GLU   3 -15.661   4.019   7.389
   24    H    CYS   4           H        CYS   4 -15.022   3.255   3.259
   25    HA   CYS   4           HA       CYS   4 -15.209   0.516   2.235
   26   1HB   CYS   4          1HB       CYS   4 -13.697   2.844   1.032
   27   2HB   CYS   4          2HB       CYS   4 -13.771   1.215   0.392
   28    H    ASP   5           H        ASP   5 -13.487  -0.880   2.782
   29    HA   ASP   5           HA       ASP   5 -11.368   0.144   4.375
   30   1HB   ASP   5          1HB       ASP   5 -11.894  -2.545   3.038
   31   2HB   ASP   5          2HB       ASP   5 -10.441  -2.236   3.968
   32    H    CYS   6           H        CYS   6 -12.118  -0.389   0.972
   33    HA   CYS   6           HA       CYS   6  -9.290  -0.123   0.275
   34   1HB   CYS   6          1HB       CYS   6 -11.564  -1.060  -1.485
   35   2HB   CYS   6          2HB       CYS   6  -9.859  -1.042  -1.892
   36    H    SER   7           H        SER   7  -8.915   1.283  -1.755
   37    HA   SER   7           HA       SER   7 -10.504   3.655  -1.532
   38   1HB   SER   7          1HB       SER   7  -8.291   3.201  -3.555
   39   2HB   SER   7          2HB       SER   7  -8.815   4.713  -2.842
   40    HG   SER   7           HG       SER   7  -6.822   3.978  -1.896
   41    H    SER   8           H        SER   8 -10.209   0.796  -3.573
   42    HA   SER   8           HA       SER   8 -11.775   2.140  -5.632
   43   1HB   SER   8          1HB       SER   8 -10.180  -0.419  -6.013
   44   2HB   SER   8          2HB       SER   8 -10.803   0.654  -7.252
   45    HG   SER   8           HG       SER   8  -8.710   1.277  -5.347
   46    HA   PRO   9           HA       PRO   9 -14.866  -0.941  -4.896
   47   1HB   PRO   9          1HB       PRO   9 -16.349  -0.631  -7.169
   48   2HB   PRO   9          2HB       PRO   9 -16.557   0.369  -5.746
   49   1HG   PRO   9          1HG       PRO   9 -15.257   1.046  -8.313
   50   2HG   PRO   9          2HG       PRO   9 -15.848   2.124  -7.064
   51   1HD   PRO   9          1HD       PRO   9 -13.113   1.422  -7.572
   52   2HD   PRO   9          2HD       PRO   9 -13.715   2.406  -6.253
   53    H    GLU  10           H        GLU  10 -12.753  -0.875  -7.581
   54    HA   GLU  10           HA       GLU  10 -13.583  -3.508  -8.381
   55   1HB   GLU  10          1HB       GLU  10 -11.434  -1.626  -9.448
   56   2HB   GLU  10          2HB       GLU  10 -11.785  -3.195 -10.142
   57   1HG   GLU  10          1HG       GLU  10 -14.140  -2.494 -10.571
   58   2HG   GLU  10          2HG       GLU  10 -13.817  -0.933  -9.844
   59    H    ASN  11           H        ASN  11 -11.792  -2.332  -5.870
   60    HA   ASN  11           HA       ASN  11  -9.411  -3.720  -6.041
   61   1HB   ASN  11          1HB       ASN  11  -9.964  -1.924  -4.351
   62   2HB   ASN  11          2HB       ASN  11 -11.050  -3.037  -3.542
   63   1HD2  ASN  11          1HD2      ASN  11  -7.841  -1.980  -3.972
   64   2HD2  ASN  11          2HD2      ASN  11  -7.029  -3.097  -2.926
   65    HA   PRO  12           HA       PRO  12 -10.994  -7.746  -5.534
   66   1HB   PRO  12          1HB       PRO  12  -8.660  -9.141  -5.255
   67   2HB   PRO  12          2HB       PRO  12  -9.288  -8.624  -6.807
   68   1HG   PRO  12          1HG       PRO  12  -7.040  -7.501  -5.252
   69   2HG   PRO  12          2HG       PRO  12  -7.411  -7.293  -6.952
   70   1HD   PRO  12          1HD       PRO  12  -7.863  -5.392  -4.852
   71   2HD   PRO  12          2HD       PRO  12  -8.339  -5.232  -6.531
   72    H    CYS  13           H        CYS  13  -8.948  -6.382  -3.113
   73    HA   CYS  13           HA       CYS  13  -9.266  -8.495  -1.282
   74   1HB   CYS  13          1HB       CYS  13  -8.611  -5.605  -0.682
   75   2HB   CYS  13          2HB       CYS  13  -8.307  -6.990   0.347
   76    H    CYS  14           H        CYS  14 -11.180  -5.692  -2.290
   77    HA   CYS  14           HA       CYS  14 -12.975  -6.089  -0.027
   78   1HB   CYS  14          1HB       CYS  14 -12.642  -3.858  -2.025
   79   2HB   CYS  14          2HB       CYS  14 -14.086  -4.002  -1.041
   80    H    ASP  15           H        ASP  15 -15.255  -6.641  -0.447
   81    HA   ASP  15           HA       ASP  15 -15.902  -7.386  -3.127
   82   1HB   ASP  15          1HB       ASP  15 -16.897  -8.445  -1.034
   83   2HB   ASP  15          2HB       ASP  15 -17.737  -6.938  -0.728
   84    H    ALA  16           H        ALA  16 -17.594  -6.218  -4.407
   85    HA   ALA  16           HA       ALA  16 -17.015  -3.448  -4.358
   86   1HB   ALA  16          1HB       ALA  16 -17.329  -4.740  -6.430
   87   2HB   ALA  16          2HB       ALA  16 -19.017  -5.076  -5.977
   88   3HB   ALA  16          3HB       ALA  16 -18.507  -3.408  -6.336
   89    H    ALA  17           H        ALA  17 -19.612  -5.504  -3.086
   90    HA   ALA  17           HA       ALA  17 -21.576  -3.446  -3.102
   91   1HB   ALA  17          1HB       ALA  17 -22.067  -5.882  -3.279
   92   2HB   ALA  17          2HB       ALA  17 -21.484  -6.100  -1.611
   93   3HB   ALA  17          3HB       ALA  17 -22.931  -5.112  -1.926
   94    H    THR  18           H        THR  18 -19.541  -5.035  -0.552
   95    HA   THR  18           HA       THR  18 -20.512  -3.150   1.416
   96    HB   THR  18           HB       THR  18 -18.995  -4.551   2.896
   97    HG1  THR  18           HG1      THR  18 -17.760  -6.128   1.802
   98   1HG2  THR  18          1HG2      THR  18 -20.665  -6.302   1.023
   99   2HG2  THR  18          2HG2      THR  18 -20.230  -6.649   2.714
  100   3HG2  THR  18          3HG2      THR  18 -21.375  -5.338   2.340
  101    H    CYS  19           H        CYS  19 -17.869  -3.429  -0.856
  102    HA   CYS  19           HA       CYS  19 -16.245  -2.032  -1.347
  103   1HB   CYS  19          1HB       CYS  19 -18.076  -0.305  -0.606
  104   2HB   CYS  19          2HB       CYS  19 -17.026  -0.065   0.776
  105    H    LYS  20           H        LYS  20 -16.267  -4.090   0.944
  106    HA   LYS  20           HA       LYS  20 -14.073  -3.008   2.538
  107   1HB   LYS  20          1HB       LYS  20 -16.809  -3.728   3.516
  108   2HB   LYS  20          2HB       LYS  20 -15.435  -4.119   4.531
  109   1HG   LYS  20          1HG       LYS  20 -14.681  -1.777   4.509
  110   2HG   LYS  20          2HG       LYS  20 -15.918  -1.346   3.345
  111   1HD   LYS  20          1HD       LYS  20 -16.788  -0.661   5.469
  112   2HD   LYS  20          2HD       LYS  20 -17.660  -2.128   5.066
  113   1HE   LYS  20          1HE       LYS  20 -16.227  -3.466   6.538
  114   2HE   LYS  20          2HE       LYS  20 -15.155  -2.108   6.811
  115   1HZ   LYS  20          1HZ       LYS  20 -16.774  -2.407   8.629
  116   2HZ   LYS  20          2HZ       LYS  20 -16.962  -0.947   7.931
  117    H    LEU  21           H        LEU  21 -13.199  -4.890   4.036
  118    HA   LEU  21           HA       LEU  21 -12.112  -6.509   2.041
  119   1HB   LEU  21          1HB       LEU  21 -11.901  -6.680   5.050
  120   2HB   LEU  21          2HB       LEU  21 -10.894  -7.565   3.922
  121    HG   LEU  21           HG       LEU  21 -11.034  -4.550   3.874
  122   1HD1  LEU  21          1HD1      LEU  21 -10.440  -5.162   6.151
  123   2HD1  LEU  21          2HD1      LEU  21  -9.171  -6.256   5.550
  124   3HD1  LEU  21          3HD1      LEU  21  -9.027  -4.501   5.295
  125   1HD2  LEU  21          1HD2      LEU  21 -10.077  -5.643   1.908
  126   2HD2  LEU  21          2HD2      LEU  21  -8.839  -4.740   2.813
  127   3HD2  LEU  21          3HD2      LEU  21  -8.920  -6.513   2.943
  128    H    ARG  22           H        ARG  22 -12.596  -8.536   1.286
  129    HA   ARG  22           HA       ARG  22 -14.767  -9.926   2.503
  130   1HB   ARG  22          1HB       ARG  22 -12.947 -11.200   0.450
  131   2HB   ARG  22          2HB       ARG  22 -14.684 -11.353   0.623
  132   1HG   ARG  22          1HG       ARG  22 -14.790  -8.819   0.002
  133   2HG   ARG  22          2HG       ARG  22 -13.123  -8.999  -0.510
  134   1HD   ARG  22          1HD       ARG  22 -15.438 -10.706  -1.548
  135   2HD   ARG  22          2HD       ARG  22 -14.781  -9.315  -2.387
  136    HE   ARG  22           HE       ARG  22 -12.562 -10.943  -1.865
  137   1HH1  ARG  22          2HH2      ARG  22 -15.556 -11.160  -3.744
  138   2HH1  ARG  22          1HH2      ARG  22 -14.966 -12.422  -4.774
  139   1HH2  ARG  22          1HH1      ARG  22 -12.724 -13.220  -4.487
  140    HA   PRO  23           HA       PRO  23 -11.380 -13.104   2.995
  141   1HB   PRO  23          1HB       PRO  23  -8.736 -12.552   2.583
  142   2HB   PRO  23          2HB       PRO  23  -9.806 -13.115   1.314
  143   1HG   PRO  23          1HG       PRO  23  -8.747 -10.393   1.772
  144   2HG   PRO  23          2HG       PRO  23  -9.450 -11.068   0.316
  145   1HD   PRO  23          1HD       PRO  23 -10.717  -9.274   2.161
  146   2HD   PRO  23          2HD       PRO  23 -11.456 -10.039   0.768
  147    H    GLY  24           H        GLY  24  -9.468 -13.918   4.491
  148   1HA   GLY  24          1HA       GLY  24  -9.593 -12.496   6.966
  149   2HA   GLY  24          2HA       GLY  24  -8.544 -13.838   6.552
  150    H    ALA  25           H        ALA  25  -9.004 -10.307   5.767
  151    HA   ALA  25           HA       ALA  25  -6.125 -10.248   5.170
  152   1HB   ALA  25          1HB       ALA  25  -7.108  -9.931   3.094
  153   2HB   ALA  25          2HB       ALA  25  -8.552  -9.146   3.777
  154   3HB   ALA  25          3HB       ALA  25  -7.018  -8.248   3.666
  155    H    GLN  26           H        GLN  26  -5.208  -7.929   5.347
  156    HA   GLN  26           HA       GLN  26  -6.268  -6.819   7.812
  157   1HB   GLN  26          1HB       GLN  26  -3.555  -6.445   6.467
  158   2HB   GLN  26          2HB       GLN  26  -4.027  -5.701   7.982
  159   1HG   GLN  26          1HG       GLN  26  -4.340  -7.927   9.021
  160   2HG   GLN  26          2HG       GLN  26  -3.988  -8.717   7.497
  161   1HE2  GLN  26          1HE2      GLN  26  -2.742  -7.175  10.295
  162   2HE2  GLN  26          2HE2      GLN  26  -1.048  -7.366   9.984
  163    H    CYS  27           H        CYS  27  -5.081  -5.886   4.516
  164    HA   CYS  27           HA       CYS  27  -6.677  -3.458   4.760
  165   1HB   CYS  27          1HB       CYS  27  -4.787  -2.200   3.656
  166   2HB   CYS  27          2HB       CYS  27  -4.591  -2.594   5.352
  167    H    GLY  28           H        GLY  28  -6.766  -2.384   2.433
  168   1HA   GLY  28          1HA       GLY  28  -6.772  -4.522   0.392
  169   2HA   GLY  28          2HA       GLY  28  -7.822  -3.120   0.399
  170    H    GLU  29           H        GLU  29  -5.811  -1.136   1.197
  171    HA   GLU  29           HA       GLU  29  -4.109  -1.179  -1.147
  172   1HB   GLU  29          1HB       GLU  29  -6.171   0.989  -0.553
  173   2HB   GLU  29          2HB       GLU  29  -4.902   1.147  -1.751
  174   1HG   GLU  29          1HG       GLU  29  -5.838  -1.117  -2.716
  175   2HG   GLU  29          2HG       GLU  29  -7.260  -0.768  -1.753
  176    H    GLY  30           H        GLY  30  -2.549   0.772  -1.116
  177   1HA   GLY  30          1HA       GLY  30  -1.761   2.507   0.559
  178   2HA   GLY  30          2HA       GLY  30  -1.738   1.173   1.694
  179    H    LEU  31           H        LEU  31   0.555   2.795   0.823
  180    HA   LEU  31           HA       LEU  31   1.979   1.489  -1.213
  181   1HB   LEU  31          1HB       LEU  31   2.619   3.481   0.925
  182   2HB   LEU  31          2HB       LEU  31   3.928   2.729   0.034
  183    HG   LEU  31           HG       LEU  31   3.267   4.922  -0.880
  184   1HD1  LEU  31          1HD1      LEU  31   2.593   2.756  -2.878
  185   2HD1  LEU  31          2HD1      LEU  31   3.378   4.327  -3.166
  186   3HD1  LEU  31          3HD1      LEU  31   4.243   3.047  -2.281
  187   1HD2  LEU  31          1HD2      LEU  31   1.155   5.259  -2.002
  188   2HD2  LEU  31          2HD2      LEU  31   0.643   3.598  -1.619
  189   3HD2  LEU  31          3HD2      LEU  31   0.861   4.786  -0.311
  190    H    CYS  32           H        CYS  32   1.506   0.858   2.234
  191    HA   CYS  32           HA       CYS  32   3.777  -0.976   2.189
  192   1HB   CYS  32          1HB       CYS  32   3.705   0.795   3.937
  193   2HB   CYS  32          2HB       CYS  32   2.233   0.082   4.564
  194    H    CYS  33           H        CYS  33   0.761  -1.123   1.166
  195    HA   CYS  33           HA       CYS  33   0.030  -3.509   2.691
  196   1HB   CYS  33          1HB       CYS  33  -1.618  -1.650   2.592
  197   2HB   CYS  33          2HB       CYS  33  -1.689  -1.833   0.851
  198    H    GLU  34           H        GLU  34   0.508  -5.448   1.697
  199    HA   GLU  34           HA       GLU  34  -0.121  -5.575  -1.119
  200   1HB   GLU  34          1HB       GLU  34   2.019  -7.296  -1.050
  201   2HB   GLU  34          2HB       GLU  34   2.093  -5.649  -1.641
  202   1HG   GLU  34          1HG       GLU  34   3.895  -5.959  -0.030
  203   2HG   GLU  34          2HG       GLU  34   2.714  -4.872   0.675
  204    H    GLN  35           H        GLN  35  -0.742  -7.755  -1.826
  205    HA   GLN  35           HA       GLN  35  -1.890  -9.579  -1.564
  206   1HB   GLN  35          1HB       GLN  35   0.436 -10.230  -0.529
  207   2HB   GLN  35          2HB       GLN  35  -0.411 -10.222   1.004
  208   1HG   GLN  35          1HG       GLN  35  -0.514 -12.487   0.184
  209   2HG   GLN  35          2HG       GLN  35  -2.121 -11.817  -0.015
  210   1HE2  GLN  35          1HE2      GLN  35  -3.030 -11.714  -1.959
  211   2HE2  GLN  35          2HE2      GLN  35  -2.277 -12.144  -3.460
  212    H    CYS  36           H        CYS  36  -2.822  -7.066  -0.266
  213    HA   CYS  36           HA       CYS  36  -4.499  -6.379   0.970
  214   1HB   CYS  36          1HB       CYS  36  -5.312  -9.237   1.486
  215   2HB   CYS  36          2HB       CYS  36  -6.319  -7.803   1.513
  216    H    LYS  37           H        LYS  37  -1.790  -7.157   2.067
  217    HA   LYS  37           HA       LYS  37  -2.567  -7.347   4.875
  218   1HB   LYS  37          1HB       LYS  37  -0.694  -9.214   3.418
  219   2HB   LYS  37          2HB       LYS  37  -0.555  -8.938   5.142
  220   1HG   LYS  37          1HG       LYS  37  -3.011  -9.554   5.379
  221   2HG   LYS  37          2HG       LYS  37  -3.030  -9.962   3.675
  222   1HD   LYS  37          1HD       LYS  37  -1.051 -11.216   5.627
  223   2HD   LYS  37          2HD       LYS  37  -2.632 -11.909   5.324
  224   1HE   LYS  37          1HE       LYS  37  -2.049 -11.946   2.833
  225   2HE   LYS  37          2HE       LYS  37  -0.424 -11.450   3.264
  226   1HZ   LYS  37          1HZ       LYS  37  -1.760 -13.941   4.179
  227   2HZ   LYS  37          2HZ       LYS  37  -0.531 -13.852   3.115
  228    H    PHE  38           H        PHE  38  -0.562  -6.828   6.304
  229    HA   PHE  38           HA       PHE  38   0.597  -4.433   5.215
  230   1HB   PHE  38          1HB       PHE  38   0.537  -5.972   7.857
  231   2HB   PHE  38          2HB       PHE  38   1.678  -4.655   7.667
  232    HD1  PHE  38           HD1      PHE  38  -1.911  -5.100   6.711
  233    HD2  PHE  38           HD2      PHE  38   0.968  -2.788   8.803
  234    HE1  PHE  38           HE1      PHE  38  -3.698  -3.459   7.354
  235    HE2  PHE  38           HE2      PHE  38  -0.819  -1.146   9.446
  236    HZ   PHE  38           HZ       PHE  38  -3.130  -1.501   8.714
  237    H    SER  39           H        SER  39   2.750  -4.078   4.672
  238    HA   SER  39           HA       SER  39   4.266  -6.455   4.224
  239   1HB   SER  39          1HB       SER  39   4.308  -4.824   2.462
  240   2HB   SER  39          2HB       SER  39   4.678  -3.517   3.569
  241    HG   SER  39           HG       SER  39   6.390  -5.448   2.414
  242    H    ARG  40           H        ARG  40   6.947  -5.649   4.600
  243    HA   ARG  40           HA       ARG  40   6.789  -6.233   7.421
  244   1HB   ARG  40          1HB       ARG  40   7.898  -7.737   5.544
  245   2HB   ARG  40          2HB       ARG  40   9.253  -6.635   5.684
  246   1HG   ARG  40          1HG       ARG  40   8.165  -7.672   8.272
  247   2HG   ARG  40          2HG       ARG  40   8.935  -8.866   7.246
  248   1HD   ARG  40          1HD       ARG  40  10.988  -7.461   7.116
  249   2HD   ARG  40          2HD       ARG  40  10.220  -6.221   8.087
  250    HE   ARG  40           HE       ARG  40  10.171  -8.816   9.410
  251   1HH1  ARG  40          2HH2      ARG  40  12.169  -5.951   8.814
  252   2HH1  ARG  40          1HH2      ARG  40  13.192  -6.226  10.185
  253   1HH2  ARG  40          1HH1      ARG  40  12.752  -8.096  11.621
  254    H    ALA  41           H        ALA  41   8.115  -5.168   8.994
  255    HA   ALA  41           HA       ALA  41   8.585  -2.487   8.590
  256   1HB   ALA  41          1HB       ALA  41   8.312  -3.616  10.782
  257   2HB   ALA  41          2HB       ALA  41   9.908  -4.376  10.580
  258   3HB   ALA  41          3HB       ALA  41   9.778  -2.608  10.736
  259    H    GLY  42           H        GLY  42   9.978  -1.521   7.204
  260   1HA   GLY  42          1HA       GLY  42  12.393  -1.018   7.113
  261   2HA   GLY  42          2HA       GLY  42  12.661  -2.740   6.929
  262    H    LYS  43           H        LYS  43  10.038  -2.897   5.263
  263    HA   LYS  43           HA       LYS  43  11.402  -2.871   2.809
  264   1HB   LYS  43          1HB       LYS  43   9.249  -4.180   3.778
  265   2HB   LYS  43          2HB       LYS  43   8.428  -2.946   2.843
  266   1HG   LYS  43          1HG       LYS  43  10.721  -4.560   1.659
  267   2HG   LYS  43          2HG       LYS  43   9.076  -5.164   1.634
  268   1HD   LYS  43          1HD       LYS  43   9.856  -2.425   0.534
  269   2HD   LYS  43          2HD       LYS  43   9.811  -3.872  -0.454
  270   1HE   LYS  43          1HE       LYS  43   7.628  -3.277  -0.826
  271   2HE   LYS  43          2HE       LYS  43   7.337  -4.030   0.729
  272   1HZ   LYS  43          1HZ       LYS  43   7.873  -1.137   0.309
  273   2HZ   LYS  43          2HZ       LYS  43   6.430  -1.788   0.692
  274    H    ILE  44           H        ILE  44  11.848  -1.210   1.471
  275    HA   ILE  44           HA       ILE  44  11.078   1.388   2.069
  276    HB   ILE  44           HB       ILE  44  12.436  -0.014  -0.159
  277   1HG1  ILE  44          1HG1      ILE  44  14.044   1.950   0.314
  278   2HG1  ILE  44          2HG1      ILE  44  13.045   2.270   1.719
  279   1HG2  ILE  44          1HG2      ILE  44  11.199   2.729  -0.450
  280   2HG2  ILE  44          2HG2      ILE  44  12.576   2.166  -1.429
  281   3HG2  ILE  44          3HG2      ILE  44  11.015   1.313  -1.513
  282   1HD1  ILE  44          1HD1      ILE  44  15.020   0.769   2.195
  283   2HD1  ILE  44          2HD1      ILE  44  13.453   0.032   2.610
  284   3HD1  ILE  44          3HD1      ILE  44  14.296  -0.449   1.118
  285    H    CYS  45           H        CYS  45   9.205   2.480   1.797
  286    HA   CYS  45           HA       CYS  45   7.199   1.121   0.161
  287   1HB   CYS  45          1HB       CYS  45   5.581   2.493   1.557
  288   2HB   CYS  45          2HB       CYS  45   6.401   1.157   2.341
  289    H    ARG  46           H        ARG  46   9.278   3.878   0.454
  290    HA   ARG  46           HA       ARG  46   7.913   5.039  -1.808
  291   1HB   ARG  46          1HB       ARG  46   7.378   6.194   0.536
  292   2HB   ARG  46          2HB       ARG  46   8.975   6.893   0.348
  293   1HG   ARG  46          1HG       ARG  46   8.367   8.007  -1.698
  294   2HG   ARG  46          2HG       ARG  46   6.915   7.046  -1.888
  295   1HD   ARG  46          1HD       ARG  46   7.279   8.844   0.539
  296   2HD   ARG  46          2HD       ARG  46   6.677   9.491  -0.974
  297    HE   ARG  46           HE       ARG  46   5.083   7.263  -0.572
  298   1HH1  ARG  46          2HH2      ARG  46   5.875  10.082   1.425
  299   2HH1  ARG  46          1HH2      ARG  46   4.412   9.992   2.346
  300   1HH2  ARG  46          1HH1      ARG  46   2.724   8.412   1.704
  301    H    ILE  47           H        ILE  47   9.365   6.105  -3.282
  302    HA   ILE  47           HA       ILE  47  12.166   5.550  -2.767
  303    HB   ILE  47           HB       ILE  47  10.871   6.647  -5.259
  304   1HG1  ILE  47          1HG1      ILE  47   9.747   4.587  -4.800
  305   2HG1  ILE  47          2HG1      ILE  47  10.907   4.296  -6.080
  306   1HG2  ILE  47          1HG2      ILE  47  12.872   5.727  -6.363
  307   2HG2  ILE  47          2HG2      ILE  47  13.272   6.982  -5.167
  308   3HG2  ILE  47          3HG2      ILE  47  13.524   5.265  -4.773
  309   1HD1  ILE  47          1HD1      ILE  47  11.220   3.588  -3.132
  310   2HD1  ILE  47          2HD1      ILE  47  11.082   2.462  -4.504
  311   3HD1  ILE  47          3HD1      ILE  47  12.542   3.463  -4.317
  312    HA   PRO  48           HA       PRO  48  12.973   9.763  -1.867
  313   1HB   PRO  48          1HB       PRO  48  15.698   9.598  -1.759
  314   2HB   PRO  48          2HB       PRO  48  14.662   9.243  -0.392
  315   1HG   PRO  48          1HG       PRO  48  16.128   7.366  -2.143
  316   2HG   PRO  48          2HG       PRO  48  15.450   7.082  -0.553
  317   1HD   PRO  48          1HD       PRO  48  14.354   6.231  -3.063
  318   2HD   PRO  48          2HD       PRO  48  13.619   6.048  -1.483
  319    H    ARG  49           H        ARG  49  13.891  11.698  -2.811
  320    HA   ARG  49           HA       ARG  49  14.775  11.230  -5.509
  321   1HB   ARG  49          1HB       ARG  49  13.056  12.799  -6.445
  322   2HB   ARG  49          2HB       ARG  49  12.326  11.359  -5.763
  323   1HG   ARG  49          1HG       ARG  49  12.042  12.715  -3.573
  324   2HG   ARG  49          2HG       ARG  49  12.467  14.133  -4.510
  325   1HD   ARG  49          1HD       ARG  49  10.146  12.244  -5.142
  326   2HD   ARG  49          2HD       ARG  49   9.988  13.809  -4.369
  327    HE   ARG  49           HE       ARG  49  10.475  13.306  -7.214
  328   1HH1  ARG  49          2HH2      ARG  49  10.839  15.689  -4.617
  329   2HH1  ARG  49          1HH2      ARG  49  10.823  17.047  -5.692
  330   1HH2  ARG  49          1HH1      ARG  49  10.618  16.674  -8.052
  331    H    GLY  50           H        GLY  50  15.949  12.284  -2.978
  332   1HA   GLY  50          1HA       GLY  50  17.136  14.660  -4.003
  333   2HA   GLY  50          2HA       GLY  50  15.974  15.033  -2.746
  334    H    ASP  51           H        ASP  51  17.072  15.423  -0.868
  335    HA   ASP  51           HA       ASP  51  19.373  13.739  -0.335
  336   1HB   ASP  51          1HB       ASP  51  19.335  16.370  -0.231
  337   2HB   ASP  51          2HB       ASP  51  18.499  16.153   1.294
  338    H    MET  52           H        MET  52  16.245  13.304   0.033
  339    HA   MET  52           HA       MET  52  16.116  13.075   2.903
  340   1HB   MET  52          1HB       MET  52  13.755  12.848   2.565
  341   2HB   MET  52          2HB       MET  52  14.236  13.938   1.279
  342   1HG   MET  52          1HG       MET  52  14.543  11.755  -0.160
  343   2HG   MET  52          2HG       MET  52  13.586  10.975   1.083
  344   1HE   MET  52          1HE       MET  52  11.159  11.224   1.455
  345   2HE   MET  52          2HE       MET  52  11.429  12.873   2.072
  346   3HE   MET  52          3HE       MET  52  10.145  12.568   0.877
  347    HA   PRO  53           HA       PRO  53  16.772   8.796   2.967
  348   1HB   PRO  53          1HB       PRO  53  15.314   7.990   5.133
  349   2HB   PRO  53          2HB       PRO  53  16.882   8.758   5.267
  350   1HG   PRO  53          1HG       PRO  53  14.208   9.902   5.791
  351   2HG   PRO  53          2HG       PRO  53  15.775  10.489   6.313
  352   1HD   PRO  53          1HD       PRO  53  14.169  11.545   4.184
  353   2HD   PRO  53          2HD       PRO  53  15.785  12.056   4.631
  354    H    ASP  54           H        ASP  54  16.118   6.747   2.260
  355    HA   ASP  54           HA       ASP  54  13.720   6.596   0.918
  356   1HB   ASP  54          1HB       ASP  54  14.063   4.071   1.180
  357   2HB   ASP  54          2HB       ASP  54  15.398   4.949   0.462
  358    H    ASP  55           H        ASP  55  11.620   6.476   1.732
  359    HA   ASP  55           HA       ASP  55  11.261   6.265   4.527
  360   1HB   ASP  55          1HB       ASP  55   9.873   7.630   2.817
  361   2HB   ASP  55          2HB       ASP  55   9.113   6.116   2.370
  362    H    ARG  56           H        ARG  56  10.301   4.465   5.682
  363    HA   ARG  56           HA       ARG  56  10.419   2.029   4.089
  364   1HB   ARG  56          1HB       ARG  56  11.341   2.525   6.965
  365   2HB   ARG  56          2HB       ARG  56  11.282   0.935   6.228
  366   1HG   ARG  56          1HG       ARG  56  12.905   1.601   4.509
  367   2HG   ARG  56          2HG       ARG  56  12.865   3.266   5.054
  368   1HD   ARG  56          1HD       ARG  56  13.806   2.579   7.263
  369   2HD   ARG  56          2HD       ARG  56  13.813   0.904   6.751
  370    HE   ARG  56           HE       ARG  56  15.243   2.451   4.811
  371   1HH1  ARG  56          2HH2      ARG  56  15.582   1.374   8.169
  372   2HH1  ARG  56          1HH2      ARG  56  17.313   1.334   8.112
  373   1HH2  ARG  56          1HH1      ARG  56  18.435   1.937   6.082
  374    H    CYS  57           H        CYS  57   9.033   0.207   4.882
  375    HA   CYS  57           HA       CYS  57   6.590   0.940   6.022
  376   1HB   CYS  57          1HB       CYS  57   7.985  -1.656   5.486
  377   2HB   CYS  57          2HB       CYS  57   6.548  -1.650   6.489
  378    H    THR  58           H        THR  58   5.909   0.988   8.194
  379    HA   THR  58           HA       THR  58   7.939   0.750  10.231
  380    HB   THR  58           HB       THR  58   5.827   1.324  11.656
  381    HG1  THR  58           HG1      THR  58   4.039   1.959  10.253
  382   1HG2  THR  58          1HG2      THR  58   7.345   3.151  10.928
  383   2HG2  THR  58          2HG2      THR  58   6.597   3.141   9.312
  384   3HG2  THR  58          3HG2      THR  58   5.650   3.658  10.728
  385    H    GLY  59           H        GLY  59   5.518  -1.307   8.726
  386   1HA   GLY  59          1HA       GLY  59   5.010  -3.487   9.188
  387   2HA   GLY  59          2HA       GLY  59   6.036  -3.445  10.609
  388    H    GLN  60           H        GLN  60   4.064  -0.662  10.600
  389    HA   GLN  60           HA       GLN  60   1.916  -2.056  11.972
  390   1HB   GLN  60          1HB       GLN  60   3.635   0.189  13.049
  391   2HB   GLN  60          2HB       GLN  60   1.972   0.039  13.582
  392   1HG   GLN  60          1HG       GLN  60   2.423  -2.346  14.251
  393   2HG   GLN  60          2HG       GLN  60   4.095  -2.152  13.763
  394   1HE2  GLN  60          1HE2      GLN  60   1.580  -1.002  15.943
  395   2HE2  GLN  60          2HE2      GLN  60   2.611  -0.412  17.204
  396    H    SER  61           H        SER  61   2.335  -0.784   9.244
  397    HA   SER  61           HA       SER  61   0.094   1.010   9.362
  398   1HB   SER  61          1HB       SER  61   2.653   1.964   8.025
  399   2HB   SER  61          2HB       SER  61   1.199   2.889   8.344
  400    HG   SER  61           HG       SER  61   1.648   2.631  10.662
  401    H    ALA  62           H        ALA  62  -1.085   1.002   7.392
  402    HA   ALA  62           HA       ALA  62  -0.070  -0.743   5.306
  403   1HB   ALA  62          1HB       ALA  62  -2.352  -0.320   4.333
  404   2HB   ALA  62          2HB       ALA  62  -2.387  -1.012   5.973
  405   3HB   ALA  62          3HB       ALA  62  -2.704   0.723   5.732
  406    H    ASP  63           H        ASP  63  -0.318   2.659   6.153
  407    HA   ASP  63           HA       ASP  63   0.176   3.441   3.430
  408   1HB   ASP  63          1HB       ASP  63   0.163   5.755   4.375
  409   2HB   ASP  63          2HB       ASP  63  -1.292   4.864   4.777
  410    H    CYS  64           H        CYS  64   2.184   4.769   2.914
  411    HA   CYS  64           HA       CYS  64   4.447   4.149   4.570
  412   1HB   CYS  64          1HB       CYS  64   4.384   4.379   1.998
  413   2HB   CYS  64          2HB       CYS  64   4.423   6.107   2.285
  414    HA   PRO  65           HA       PRO  65   3.459   7.680   6.986
  415   1HB   PRO  65          1HB       PRO  65   5.293   7.289   8.975
  416   2HB   PRO  65          2HB       PRO  65   3.720   6.514   8.955
  417   1HG   PRO  65          1HG       PRO  65   6.369   5.348   8.352
  418   2HG   PRO  65          2HG       PRO  65   4.873   4.527   8.751
  419   1HD   PRO  65          1HD       PRO  65   6.050   4.783   6.148
  420   2HD   PRO  65          2HD       PRO  65   4.498   4.064   6.531
  421    H    ARG  66           H        ARG  66   6.921   7.282   7.463
  422    HA   ARG  66           HA       ARG  66   7.378   9.701   6.027
  423   1HB   ARG  66          1HB       ARG  66   6.488  10.535   8.219
  424   2HB   ARG  66          2HB       ARG  66   7.721   9.626   9.068
  425   1HG   ARG  66          1HG       ARG  66   9.503  10.944   7.940
  426   2HG   ARG  66          2HG       ARG  66   8.295  11.823   7.023
  427   1HD   ARG  66          1HD       ARG  66   8.446  11.811  10.077
  428   2HD   ARG  66          2HD       ARG  66   9.134  13.066   9.067
  429    HE   ARG  66           HE       ARG  66   6.290  12.652   9.644
  430   1HH1  ARG  66          2HH2      ARG  66   8.570  14.062   7.328
  431   2HH1  ARG  66          1HH2      ARG  66   7.462  15.279   6.789
  432   1HH2  ARG  66          1HH1      ARG  66   5.254  15.349   7.719
  433    H    TYR  67           H        TYR  67   8.683   7.606   8.714
  434    HA   TYR  67           HA       TYR  67  10.650   6.542   6.956
  435   1HB   TYR  67          1HB       TYR  67  11.639   8.781   7.620
  436   2HB   TYR  67          2HB       TYR  67  11.376   8.396   9.309
  437    HD1  TYR  67           HD1      TYR  67  13.253   7.756  10.501
  438    HD2  TYR  67           HD2      TYR  67  13.037   6.792   6.338
  439    HE1  TYR  67           HE1      TYR  67  15.567   6.711  10.615
  440    HE2  TYR  67           HE2      TYR  67  15.352   5.750   6.466
  441    HH   TYR  67           HH       TYR  67  17.151   5.729   9.535
  442    H    HIS  68           H        HIS  68  11.841   4.752   7.952
  443    HA   HIS  68           HA       HIS  68  12.186   3.108   9.363
  444   1HB   HIS  68          1HB       HIS  68  12.544   5.203  10.899
  445   2HB   HIS  68          2HB       HIS  68  11.056   4.682  11.662
  446    HD1  HIS  68           HD1      HIS  68  11.197   1.846  12.214
  447    HD2  HIS  68           HD2      HIS  68  14.703   4.150  12.174
  448    HE1  HIS  68           HE1      HIS  68  12.928   0.536  13.554
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1 -22.610   3.197   9.882
    2   2H    GLY   1          2H        GLY   1 -22.238   4.665  10.552
    3   3H    GLY   1          3H        GLY   1 -23.816   4.173  10.461
    4   1HA   GLY   1          1HA       GLY   1 -24.087   4.870   8.418
    5   2HA   GLY   1          2HA       GLY   1 -22.632   5.796   8.729
    6    H    LYS   2           H        LYS   2 -22.629   5.439   6.215
    7    HA   LYS   2           HA       LYS   2 -21.885   2.870   5.286
    8   1HB   LYS   2          1HB       LYS   2 -23.004   4.578   3.896
    9   2HB   LYS   2          2HB       LYS   2 -21.582   5.597   3.992
   10   1HG   LYS   2          1HG       LYS   2 -20.218   3.919   2.839
   11   2HG   LYS   2          2HG       LYS   2 -21.517   2.744   2.906
   12   1HD   LYS   2          1HD       LYS   2 -21.609   3.632   0.690
   13   2HD   LYS   2          2HD       LYS   2 -22.933   4.405   1.538
   14   1HE   LYS   2          1HE       LYS   2 -21.600   6.442   1.887
   15   2HE   LYS   2          2HE       LYS   2 -20.169   5.671   1.232
   16   1HZ   LYS   2          1HZ       LYS   2 -21.314   5.488  -0.913
   17   2HZ   LYS   2          2HZ       LYS   2 -22.660   6.179  -0.308
   18    H    GLU   3           H        GLU   3 -19.857   1.986   4.860
   19    HA   GLU   3           HA       GLU   3 -17.562   3.656   5.171
   20   1HB   GLU   3          1HB       GLU   3 -18.487   2.257   7.445
   21   2HB   GLU   3          2HB       GLU   3 -17.159   1.286   6.843
   22   1HG   GLU   3          1HG       GLU   3 -16.951   4.303   7.255
   23   2HG   GLU   3          2HG       GLU   3 -16.524   3.143   8.497
   24    H    CYS   4           H        CYS   4 -15.613   2.647   4.299
   25    HA   CYS   4           HA       CYS   4 -16.038   0.034   3.094
   26   1HB   CYS   4          1HB       CYS   4 -15.162   2.472   1.530
   27   2HB   CYS   4          2HB       CYS   4 -15.123   0.824   0.938
   28    H    ASP   5           H        ASP   5 -14.110  -1.187   3.072
   29    HA   ASP   5           HA       ASP   5 -11.937  -0.056   4.515
   30   1HB   ASP   5          1HB       ASP   5 -12.440  -2.754   3.195
   31   2HB   ASP   5          2HB       ASP   5 -10.906  -2.378   3.953
   32    H    CYS   6           H        CYS   6 -12.951  -0.463   1.186
   33    HA   CYS   6           HA       CYS   6 -10.302   0.475   0.354
   34   1HB   CYS   6          1HB       CYS   6 -12.193  -1.119  -1.380
   35   2HB   CYS   6          2HB       CYS   6 -10.559  -0.613  -1.765
   36    H    SER   7           H        SER   7 -10.341   2.228  -1.202
   37    HA   SER   7           HA       SER   7 -12.720   3.775  -1.095
   38   1HB   SER   7          1HB       SER   7 -10.150   4.224  -2.679
   39   2HB   SER   7          2HB       SER   7 -11.406   5.419  -2.420
   40    HG   SER   7           HG       SER   7  -9.639   4.239  -0.466
   41    H    SER   8           H        SER   8 -11.189   1.479  -3.304
   42    HA   SER   8           HA       SER   8 -13.018   2.332  -5.404
   43   1HB   SER   8          1HB       SER   8 -10.401   0.774  -5.552
   44   2HB   SER   8          2HB       SER   8 -11.447   1.048  -6.931
   45    HG   SER   8           HG       SER   8  -9.735   2.633  -6.803
   46    HA   PRO   9           HA       PRO   9 -14.861  -1.678  -5.091
   47   1HB   PRO   9          1HB       PRO   9 -16.291  -1.673  -7.420
   48   2HB   PRO   9          2HB       PRO   9 -16.879  -0.956  -5.933
   49   1HG   PRO   9          1HG       PRO   9 -15.823   0.386  -8.345
   50   2HG   PRO   9          2HG       PRO   9 -16.791   1.060  -7.049
   51   1HD   PRO   9          1HD       PRO   9 -13.970   1.403  -7.442
   52   2HD   PRO   9          2HD       PRO   9 -14.916   1.979  -6.084
   53    H    GLU  10           H        GLU  10 -12.850  -0.611  -7.647
   54    HA   GLU  10           HA       GLU  10 -12.667  -3.189  -8.816
   55   1HB   GLU  10          1HB       GLU  10 -11.018  -0.648  -9.144
   56   2HB   GLU  10          2HB       GLU  10 -10.722  -2.104 -10.071
   57   1HG   GLU  10          1HG       GLU  10 -13.063  -2.034 -10.941
   58   2HG   GLU  10          2HG       GLU  10 -13.376  -0.590  -9.999
   59    H    ASN  11           H        ASN  11 -11.347  -1.661  -6.015
   60    HA   ASN  11           HA       ASN  11  -8.856  -2.824  -5.899
   61   1HB   ASN  11          1HB       ASN  11  -9.858  -1.070  -4.318
   62   2HB   ASN  11          2HB       ASN  11 -10.767  -2.357  -3.551
   63   1HD2  ASN  11          1HD2      ASN  11  -8.224  -0.492  -3.121
   64   2HD2  ASN  11          2HD2      ASN  11  -7.130  -1.523  -2.260
   65    HA   PRO  12           HA       PRO  12 -10.387  -6.895  -5.812
   66   1HB   PRO  12          1HB       PRO  12  -8.024  -8.263  -5.902
   67   2HB   PRO  12          2HB       PRO  12  -8.782  -7.568  -7.320
   68   1HG   PRO  12          1HG       PRO  12  -6.426  -6.603  -5.817
   69   2HG   PRO  12          2HG       PRO  12  -6.938  -6.189  -7.441
   70   1HD   PRO  12          1HD       PRO  12  -7.237  -4.582  -5.085
   71   2HD   PRO  12          2HD       PRO  12  -7.851  -4.219  -6.685
   72    H    CYS  13           H        CYS  13  -8.578  -5.563  -3.311
   73    HA   CYS  13           HA       CYS  13  -8.580  -7.857  -1.657
   74   1HB   CYS  13          1HB       CYS  13  -8.388  -4.947  -0.860
   75   2HB   CYS  13          2HB       CYS  13  -7.962  -6.329   0.129
   76    H    CYS  14           H        CYS  14 -10.887  -5.362  -2.604
   77    HA   CYS  14           HA       CYS  14 -12.676  -6.223  -0.453
   78   1HB   CYS  14          1HB       CYS  14 -12.523  -3.676  -2.056
   79   2HB   CYS  14          2HB       CYS  14 -13.974  -4.127  -1.184
   80    H    ASP  15           H        ASP  15 -14.865  -6.908  -1.072
   81    HA   ASP  15           HA       ASP  15 -15.273  -7.325  -3.882
   82   1HB   ASP  15          1HB       ASP  15 -16.107  -8.870  -1.992
   83   2HB   ASP  15          2HB       ASP  15 -17.279  -7.626  -1.603
   84    H    ALA  16           H        ALA  16 -17.034  -6.218  -5.071
   85    HA   ALA  16           HA       ALA  16 -17.109  -3.467  -4.413
   86   1HB   ALA  16          1HB       ALA  16 -17.013  -4.311  -6.721
   87   2HB   ALA  16          2HB       ALA  16 -18.598  -5.096  -6.513
   88   3HB   ALA  16          3HB       ALA  16 -18.472  -3.320  -6.478
   89    H    ALA  17           H        ALA  17 -19.242  -6.257  -3.874
   90    HA   ALA  17           HA       ALA  17 -21.607  -4.718  -3.575
   91   1HB   ALA  17          1HB       ALA  17 -21.552  -7.100  -4.274
   92   2HB   ALA  17          2HB       ALA  17 -20.932  -7.545  -2.666
   93   3HB   ALA  17          3HB       ALA  17 -22.564  -6.854  -2.830
   94    H    THR  18           H        THR  18 -19.106  -6.069  -1.362
   95    HA   THR  18           HA       THR  18 -20.623  -5.159   0.944
   96    HB   THR  18           HB       THR  18 -18.852  -6.408   2.169
   97    HG1  THR  18           HG1      THR  18 -17.020  -7.038   0.965
   98   1HG2  THR  18          1HG2      THR  18 -19.491  -8.008  -0.353
   99   2HG2  THR  18          2HG2      THR  18 -19.214  -8.630   1.292
  100   3HG2  THR  18          3HG2      THR  18 -20.706  -7.732   0.919
  101    H    CYS  19           H        CYS  19 -17.942  -4.136  -1.104
  102    HA   CYS  19           HA       CYS  19 -16.731  -2.301  -1.099
  103   1HB   CYS  19          1HB       CYS  19 -19.032  -1.360  -0.104
  104   2HB   CYS  19          2HB       CYS  19 -18.010  -1.070   1.290
  105    H    LYS  20           H        LYS  20 -16.120  -4.761   0.499
  106    HA   LYS  20           HA       LYS  20 -14.560  -3.670   2.687
  107   1HB   LYS  20          1HB       LYS  20 -17.191  -4.326   3.181
  108   2HB   LYS  20          2HB       LYS  20 -16.364  -5.816   3.588
  109   1HG   LYS  20          1HG       LYS  20 -16.085  -4.752   5.615
  110   2HG   LYS  20          2HG       LYS  20 -14.673  -4.092   4.813
  111   1HD   LYS  20          1HD       LYS  20 -15.755  -2.179   5.715
  112   2HD   LYS  20          2HD       LYS  20 -16.212  -2.157   4.024
  113   1HE   LYS  20          1HE       LYS  20 -18.123  -3.790   5.470
  114   2HE   LYS  20          2HE       LYS  20 -17.937  -2.271   6.322
  115   1HZ   LYS  20          1HZ       LYS  20 -18.342  -1.122   4.179
  116   2HZ   LYS  20          2HZ       LYS  20 -18.590  -2.550   3.436
  117    H    LEU  21           H        LEU  21 -13.212  -5.413   3.729
  118    HA   LEU  21           HA       LEU  21 -11.849  -6.630   1.627
  119   1HB   LEU  21          1HB       LEU  21 -11.642  -7.105   4.604
  120   2HB   LEU  21          2HB       LEU  21 -10.471  -7.623   3.408
  121    HG   LEU  21           HG       LEU  21 -11.201  -4.713   3.722
  122   1HD1  LEU  21          1HD1      LEU  21 -10.540  -5.509   5.936
  123   2HD1  LEU  21          2HD1      LEU  21  -9.048  -6.198   5.253
  124   3HD1  LEU  21          3HD1      LEU  21  -9.302  -4.437   5.239
  125   1HD2  LEU  21          1HD2      LEU  21  -8.998  -4.337   2.737
  126   2HD2  LEU  21          2HD2      LEU  21  -8.717  -6.092   2.667
  127   3HD2  LEU  21          3HD2      LEU  21 -10.006  -5.358   1.685
  128    H    ARG  22           H        ARG  22 -11.988  -8.607   0.655
  129    HA   ARG  22           HA       ARG  22 -14.007 -10.388   1.576
  130   1HB   ARG  22          1HB       ARG  22 -11.969 -11.179  -0.511
  131   2HB   ARG  22          2HB       ARG  22 -13.684 -11.531  -0.462
  132   1HG   ARG  22          1HG       ARG  22 -14.025  -8.951  -0.756
  133   2HG   ARG  22          2HG       ARG  22 -12.334  -8.912  -1.216
  134   1HD   ARG  22          1HD       ARG  22 -14.447 -10.674  -2.553
  135   2HD   ARG  22          2HD       ARG  22 -13.889  -9.138  -3.188
  136    HE   ARG  22           HE       ARG  22 -11.560 -10.651  -2.755
  137   1HH1  ARG  22          2HH2      ARG  22 -14.440 -10.820  -4.807
  138   2HH1  ARG  22          1HH2      ARG  22 -13.694 -11.845  -5.986
  139   1HH2  ARG  22          1HH1      ARG  22 -11.407 -12.499  -5.693
  140    HA   PRO  23           HA       PRO  23 -10.256 -13.169   1.913
  141   1HB   PRO  23          1HB       PRO  23  -7.694 -12.234   1.733
  142   2HB   PRO  23          2HB       PRO  23  -8.613 -12.787   0.346
  143   1HG   PRO  23          1HG       PRO  23  -7.960 -10.019   1.153
  144   2HG   PRO  23          2HG       PRO  23  -8.490 -10.611  -0.409
  145   1HD   PRO  23          1HD       PRO  23 -10.081  -9.216   1.528
  146   2HD   PRO  23          2HD       PRO  23 -10.638  -9.909   0.019
  147    H    GLY  24           H        GLY  24  -8.273 -13.850   3.423
  148   1HA   GLY  24          1HA       GLY  24  -8.740 -12.776   6.028
  149   2HA   GLY  24          2HA       GLY  24  -7.460 -13.865   5.532
  150    H    ALA  25           H        ALA  25  -8.485 -10.390   5.111
  151    HA   ALA  25           HA       ALA  25  -5.639  -9.795   4.666
  152   1HB   ALA  25          1HB       ALA  25  -6.850  -7.779   3.398
  153   2HB   ALA  25          2HB       ALA  25  -6.587  -9.353   2.608
  154   3HB   ALA  25          3HB       ALA  25  -8.178  -8.960   3.302
  155    H    GLN  26           H        GLN  26  -5.100  -7.416   5.176
  156    HA   GLN  26           HA       GLN  26  -6.454  -6.768   7.668
  157   1HB   GLN  26          1HB       GLN  26  -3.677  -6.032   6.647
  158   2HB   GLN  26          2HB       GLN  26  -4.357  -5.418   8.141
  159   1HG   GLN  26          1HG       GLN  26  -4.568  -7.709   9.039
  160   2HG   GLN  26          2HG       GLN  26  -4.034  -8.391   7.515
  161   1HE2  GLN  26          1HE2      GLN  26  -3.139  -6.936  10.484
  162   2HE2  GLN  26          2HE2      GLN  26  -1.416  -6.983  10.309
  163    H    CYS  27           H        CYS  27  -5.107  -5.336   4.626
  164    HA   CYS  27           HA       CYS  27  -6.951  -3.106   5.010
  165   1HB   CYS  27          1HB       CYS  27  -5.134  -1.585   4.137
  166   2HB   CYS  27          2HB       CYS  27  -4.983  -2.132   5.795
  167    H    GLY  28           H        GLY  28  -7.210  -1.877   2.841
  168   1HA   GLY  28          1HA       GLY  28  -6.784  -3.712   0.563
  169   2HA   GLY  28          2HA       GLY  28  -8.061  -2.518   0.685
  170    H    GLU  29           H        GLU  29  -5.752  -0.754   2.086
  171    HA   GLU  29           HA       GLU  29  -4.597   0.165  -0.389
  172   1HB   GLU  29          1HB       GLU  29  -6.668   1.742   1.190
  173   2HB   GLU  29          2HB       GLU  29  -5.566   2.504   0.060
  174   1HG   GLU  29          1HG       GLU  29  -6.407   0.793  -1.695
  175   2HG   GLU  29          2HG       GLU  29  -7.671   0.386  -0.552
  176    H    GLY  30           H        GLY  30  -2.953   1.883  -0.034
  177   1HA   GLY  30          1HA       GLY  30  -2.002   3.286   1.830
  178   2HA   GLY  30          2HA       GLY  30  -1.922   1.788   2.735
  179    H    LEU  31           H        LEU  31   0.330   3.520   1.974
  180    HA   LEU  31           HA       LEU  31   1.617   2.514  -0.313
  181   1HB   LEU  31          1HB       LEU  31   2.411   4.164   2.053
  182   2HB   LEU  31          2HB       LEU  31   3.651   3.543   0.984
  183    HG   LEU  31           HG       LEU  31   2.951   5.861   0.464
  184   1HD1  LEU  31          1HD1      LEU  31   2.929   5.614  -1.906
  185   2HD1  LEU  31          2HD1      LEU  31   3.911   4.286  -1.242
  186   3HD1  LEU  31          3HD1      LEU  31   2.248   3.974  -1.794
  187   1HD2  LEU  31          1HD2      LEU  31   0.796   6.340  -0.520
  188   2HD2  LEU  31          2HD2      LEU  31   0.309   4.635  -0.373
  189   3HD2  LEU  31          3HD2      LEU  31   0.569   5.614   1.090
  190    H    CYS  32           H        CYS  32   1.426   1.463   3.082
  191    HA   CYS  32           HA       CYS  32   3.625  -0.388   2.597
  192   1HB   CYS  32          1HB       CYS  32   3.800   1.078   4.556
  193   2HB   CYS  32          2HB       CYS  32   2.292   0.443   5.183
  194    H    CYS  33           H        CYS  33   0.472  -0.324   1.907
  195    HA   CYS  33           HA       CYS  33  -0.280  -2.797   3.213
  196   1HB   CYS  33          1HB       CYS  33  -1.864  -0.879   3.025
  197   2HB   CYS  33          2HB       CYS  33  -1.861  -1.085   1.284
  198    H    GLU  34           H        GLU  34   0.964  -4.442   2.240
  199    HA   GLU  34           HA       GLU  34   0.639  -4.629  -0.654
  200   1HB   GLU  34          1HB       GLU  34   2.947  -5.284   1.168
  201   2HB   GLU  34          2HB       GLU  34   2.731  -6.267  -0.267
  202   1HG   GLU  34          1HG       GLU  34   4.186  -4.460  -0.909
  203   2HG   GLU  34          2HG       GLU  34   2.628  -4.107  -1.631
  204    H    GLN  35           H        GLN  35  -0.107  -6.601  -1.538
  205    HA   GLN  35           HA       GLN  35  -1.392  -8.352  -1.563
  206   1HB   GLN  35          1HB       GLN  35   0.839  -9.298  -0.603
  207   2HB   GLN  35          2HB       GLN  35  -0.001  -9.390   0.932
  208   1HG   GLN  35          1HG       GLN  35  -1.843 -10.540  -0.822
  209   2HG   GLN  35          2HG       GLN  35  -0.312 -11.073  -1.489
  210   1HE2  GLN  35          1HE2      GLN  35  -2.124 -10.778   1.544
  211   2HE2  GLN  35          2HE2      GLN  35  -1.506 -12.200   2.318
  212    H    CYS  36           H        CYS  36  -2.316  -6.013  -0.038
  213    HA   CYS  36           HA       CYS  36  -4.149  -5.470   1.043
  214   1HB   CYS  36          1HB       CYS  36  -4.897  -8.381   1.286
  215   2HB   CYS  36          2HB       CYS  36  -5.957  -6.986   1.337
  216    H    LYS  37           H        LYS  37  -1.514  -6.294   2.328
  217    HA   LYS  37           HA       LYS  37  -2.514  -6.645   5.040
  218   1HB   LYS  37          1HB       LYS  37  -0.627  -8.536   3.629
  219   2HB   LYS  37          2HB       LYS  37  -0.633  -8.370   5.373
  220   1HG   LYS  37          1HG       LYS  37  -3.143  -8.836   5.331
  221   2HG   LYS  37          2HG       LYS  37  -2.997  -9.179   3.619
  222   1HD   LYS  37          1HD       LYS  37  -2.768 -11.327   4.524
  223   2HD   LYS  37          2HD       LYS  37  -1.089 -10.850   4.369
  224   1HE   LYS  37          1HE       LYS  37  -1.054 -10.132   6.756
  225   2HE   LYS  37          2HE       LYS  37  -2.747 -10.550   6.920
  226   1HZ   LYS  37          1HZ       LYS  37  -2.169 -12.865   6.413
  227   2HZ   LYS  37          2HZ       LYS  37  -0.597 -12.484   6.232
  228    H    PHE  38           H        PHE  38  -0.665  -6.260   6.659
  229    HA   PHE  38           HA       PHE  38   0.607  -3.836   5.796
  230   1HB   PHE  38          1HB       PHE  38   0.361  -5.487   8.369
  231   2HB   PHE  38          2HB       PHE  38   1.384  -4.064   8.321
  232    HD1  PHE  38           HD1      PHE  38  -2.012  -4.727   6.911
  233    HD2  PHE  38           HD2      PHE  38   0.365  -2.392   9.538
  234    HE1  PHE  38           HE1      PHE  38  -3.999  -3.281   7.423
  235    HE2  PHE  38           HE2      PHE  38  -1.621  -0.945  10.051
  236    HZ   PHE  38           HZ       PHE  38  -3.780  -1.407   8.987
  237    H    SER  39           H        SER  39   2.507  -3.929   4.682
  238    HA   SER  39           HA       SER  39   4.020  -6.228   4.555
  239   1HB   SER  39          1HB       SER  39   4.461  -4.900   2.734
  240   2HB   SER  39          2HB       SER  39   4.261  -3.410   3.636
  241    HG   SER  39           HG       SER  39   6.583  -5.117   3.503
  242    H    ARG  40           H        ARG  40   6.419  -6.416   5.184
  243    HA   ARG  40           HA       ARG  40   6.486  -6.023   7.975
  244   1HB   ARG  40          1HB       ARG  40   8.524  -7.354   7.906
  245   2HB   ARG  40          2HB       ARG  40   7.407  -8.051   6.750
  246   1HG   ARG  40          1HG       ARG  40   8.547  -6.656   4.934
  247   2HG   ARG  40          2HG       ARG  40   9.746  -6.191   6.126
  248   1HD   ARG  40          1HD       ARG  40   9.117  -9.074   5.320
  249   2HD   ARG  40          2HD       ARG  40  10.483  -8.147   4.731
  250    HE   ARG  40           HE       ARG  40  10.242  -9.409   7.347
  251   1HH1  ARG  40          2HH2      ARG  40  11.835  -6.795   5.564
  252   2HH1  ARG  40          1HH2      ARG  40  13.119  -6.624   6.715
  253   1HH2  ARG  40          1HH1      ARG  40  13.182  -8.071   8.623
  254    H    ALA  41           H        ALA  41   8.168  -4.848   9.189
  255    HA   ALA  41           HA       ALA  41   8.631  -2.296   8.108
  256   1HB   ALA  41          1HB       ALA  41   9.853  -1.934  10.228
  257   2HB   ALA  41          2HB       ALA  41   8.298  -2.753  10.508
  258   3HB   ALA  41          3HB       ALA  41   9.815  -3.685  10.547
  259    H    GLY  42           H        GLY  42  10.310  -1.476   6.934
  260   1HA   GLY  42          1HA       GLY  42  12.734  -1.423   6.683
  261   2HA   GLY  42          2HA       GLY  42  12.720  -3.175   6.685
  262    H    LYS  43           H        LYS  43  10.122  -3.245   5.088
  263    HA   LYS  43           HA       LYS  43  11.350  -3.262   2.529
  264   1HB   LYS  43          1HB       LYS  43   9.445  -4.750   3.543
  265   2HB   LYS  43          2HB       LYS  43   8.385  -3.474   2.979
  266   1HG   LYS  43          1HG       LYS  43  10.105  -3.893   0.796
  267   2HG   LYS  43          2HG       LYS  43   9.855  -5.509   1.427
  268   1HD   LYS  43          1HD       LYS  43   8.077  -5.174  -0.138
  269   2HD   LYS  43          2HD       LYS  43   7.333  -4.995   1.438
  270   1HE   LYS  43          1HE       LYS  43   7.311  -2.582   1.269
  271   2HE   LYS  43          2HE       LYS  43   8.396  -2.593  -0.107
  272   1HZ   LYS  43          1HZ       LYS  43   6.022  -2.291  -0.723
  273   2HZ   LYS  43          2HZ       LYS  43   6.670  -3.599  -1.446
  274    H    ILE  44           H        ILE  44  11.073  -1.858   0.766
  275    HA   ILE  44           HA       ILE  44  10.829   0.830   1.653
  276    HB   ILE  44           HB       ILE  44  11.236  -0.290  -1.123
  277   1HG1  ILE  44          1HG1      ILE  44  13.001  -1.167   0.146
  278   2HG1  ILE  44          2HG1      ILE  44  13.666   0.267  -0.611
  279   1HG2  ILE  44          1HG2      ILE  44  11.659   2.477   0.030
  280   2HG2  ILE  44          2HG2      ILE  44  12.296   1.934  -1.542
  281   3HG2  ILE  44          3HG2      ILE  44  10.537   1.995  -1.266
  282   1HD1  ILE  44          1HD1      ILE  44  14.377   0.418   1.654
  283   2HD1  ILE  44          2HD1      ILE  44  12.986   1.525   1.563
  284   3HD1  ILE  44          3HD1      ILE  44  12.788  -0.095   2.274
  285    H    CYS  45           H        CYS  45   9.010   2.020   1.800
  286    HA   CYS  45           HA       CYS  45   6.644   0.980   0.489
  287   1HB   CYS  45          1HB       CYS  45   5.434   2.613   1.879
  288   2HB   CYS  45          2HB       CYS  45   6.382   1.470   2.808
  289    H    ARG  46           H        ARG  46   9.078   3.530   0.309
  290    HA   ARG  46           HA       ARG  46   7.692   4.650  -1.946
  291   1HB   ARG  46          1HB       ARG  46   7.081   5.894   0.294
  292   2HB   ARG  46          2HB       ARG  46   8.712   6.531   0.220
  293   1HG   ARG  46          1HG       ARG  46   8.287   7.556  -1.963
  294   2HG   ARG  46          2HG       ARG  46   6.730   6.764  -2.090
  295   1HD   ARG  46          1HD       ARG  46   7.457   8.783   0.089
  296   2HD   ARG  46          2HD       ARG  46   6.573   9.184  -1.370
  297    HE   ARG  46           HE       ARG  46   4.763   7.661  -0.612
  298   1HH1  ARG  46          2HH2      ARG  46   7.304   7.763   1.804
  299   2HH1  ARG  46          1HH2      ARG  46   6.233   8.009   3.142
  300   1HH2  ARG  46          1HH1      ARG  46   3.863   7.826   2.756
  301    H    ILE  47           H        ILE  47   9.148   5.595  -3.471
  302    HA   ILE  47           HA       ILE  47  11.912   4.925  -3.006
  303    HB   ILE  47           HB       ILE  47  10.593   6.154  -5.428
  304   1HG1  ILE  47          1HG1      ILE  47   9.436   4.120  -5.030
  305   2HG1  ILE  47          2HG1      ILE  47  10.594   3.804  -6.307
  306   1HG2  ILE  47          1HG2      ILE  47  13.033   6.416  -5.349
  307   2HG2  ILE  47          2HG2      ILE  47  13.213   4.659  -5.132
  308   3HG2  ILE  47          3HG2      ILE  47  12.525   5.303  -6.642
  309   1HD1  ILE  47          1HD1      ILE  47  12.200   2.951  -4.492
  310   2HD1  ILE  47          2HD1      ILE  47  10.821   3.033  -3.369
  311   3HD1  ILE  47          3HD1      ILE  47  10.756   1.951  -4.783
  312    HA   PRO  48           HA       PRO  48  13.025   8.997  -1.910
  313   1HB   PRO  48          1HB       PRO  48  15.739   8.682  -1.928
  314   2HB   PRO  48          2HB       PRO  48  14.735   8.259  -0.556
  315   1HG   PRO  48          1HG       PRO  48  16.031   6.473  -2.523
  316   2HG   PRO  48          2HG       PRO  48  15.395   6.083  -0.937
  317   1HD   PRO  48          1HD       PRO  48  14.165   5.519  -3.466
  318   2HD   PRO  48          2HD       PRO  48  13.478   5.233  -1.879
  319    H    ARG  49           H        ARG  49  13.604  10.985  -2.839
  320    HA   ARG  49           HA       ARG  49  15.353  10.645  -5.104
  321   1HB   ARG  49          1HB       ARG  49  14.077  12.486  -6.342
  322   2HB   ARG  49          2HB       ARG  49  13.237  10.951  -6.237
  323   1HG   ARG  49          1HG       ARG  49  12.747  12.885  -3.995
  324   2HG   ARG  49          2HG       ARG  49  12.090  13.331  -5.557
  325   1HD   ARG  49          1HD       ARG  49  10.869  11.188  -5.709
  326   2HD   ARG  49          2HD       ARG  49  11.615  10.618  -4.229
  327    HE   ARG  49           HE       ARG  49  10.267  13.146  -3.790
  328   1HH1  ARG  49          2HH2      ARG  49   9.705   9.660  -4.084
  329   2HH1  ARG  49          1HH2      ARG  49   8.173   9.713  -3.278
  330   1HH2  ARG  49          1HH1      ARG  49   7.401  11.793  -2.367
  331    H    GLY  50           H        GLY  50  16.445  12.825  -5.675
  332   1HA   GLY  50          1HA       GLY  50  17.399  14.802  -5.024
  333   2HA   GLY  50          2HA       GLY  50  16.461  14.791  -3.544
  334    H    ASP  51           H        ASP  51  17.554  14.361  -1.659
  335    HA   ASP  51           HA       ASP  51  19.518  12.247  -1.825
  336   1HB   ASP  51          1HB       ASP  51  20.650  14.562  -1.792
  337   2HB   ASP  51          2HB       ASP  51  19.984  14.776  -0.186
  338    H    MET  52           H        MET  52  16.653  12.575  -0.929
  339    HA   MET  52           HA       MET  52  16.899  12.449   1.945
  340   1HB   MET  52          1HB       MET  52  14.548  12.798   1.959
  341   2HB   MET  52          2HB       MET  52  15.021  13.651   0.504
  342   1HG   MET  52          1HG       MET  52  14.561  11.444  -0.774
  343   2HG   MET  52          2HG       MET  52  13.812  10.857   0.698
  344   1HE   MET  52          1HE       MET  52  11.566  10.529   0.249
  345   2HE   MET  52          2HE       MET  52  10.424  11.604  -0.594
  346   3HE   MET  52          3HE       MET  52  11.706  10.773  -1.508
  347    HA   PRO  53           HA       PRO  53  16.966   8.259   2.232
  348   1HB   PRO  53          1HB       PRO  53  15.627   7.678   4.543
  349   2HB   PRO  53          2HB       PRO  53  17.235   8.372   4.517
  350   1HG   PRO  53          1HG       PRO  53  14.659   9.684   5.135
  351   2HG   PRO  53          2HG       PRO  53  16.284  10.226   5.507
  352   1HD   PRO  53          1HD       PRO  53  14.584  11.213   3.419
  353   2HD   PRO  53          2HD       PRO  53  16.248  11.671   3.719
  354    H    ASP  54           H        ASP  54  16.148   6.168   1.815
  355    HA   ASP  54           HA       ASP  54  13.694   6.090   0.554
  356   1HB   ASP  54          1HB       ASP  54  13.892   3.564   1.018
  357   2HB   ASP  54          2HB       ASP  54  15.213   4.302   0.133
  358    H    ASP  55           H        ASP  55  11.590   5.925   1.396
  359    HA   ASP  55           HA       ASP  55  11.326   5.950   4.234
  360   1HB   ASP  55          1HB       ASP  55   9.912   7.131   2.257
  361   2HB   ASP  55          2HB       ASP  55   8.967   5.660   2.379
  362    H    ARG  56           H        ARG  56  10.521   4.188   5.510
  363    HA   ARG  56           HA       ARG  56  10.435   1.713   3.977
  364   1HB   ARG  56          1HB       ARG  56  11.792   2.366   6.631
  365   2HB   ARG  56          2HB       ARG  56  11.488   0.711   6.142
  366   1HG   ARG  56          1HG       ARG  56  12.875   0.941   4.162
  367   2HG   ARG  56          2HG       ARG  56  12.973   2.681   4.351
  368   1HD   ARG  56          1HD       ARG  56  14.237   2.389   6.488
  369   2HD   ARG  56          2HD       ARG  56  14.117   0.648   6.329
  370    HE   ARG  56           HE       ARG  56  15.251   1.544   3.914
  371   1HH1  ARG  56          2HH2      ARG  56  16.119   1.493   7.347
  372   2HH1  ARG  56          1HH2      ARG  56  17.821   1.617   7.047
  373   1HH2  ARG  56          1HH1      ARG  56  18.610   1.706   4.785
  374    H    CYS  57           H        CYS  57   9.107  -0.043   4.897
  375    HA   CYS  57           HA       CYS  57   6.691   0.858   5.927
  376   1HB   CYS  57          1HB       CYS  57   7.937  -1.767   5.354
  377   2HB   CYS  57          2HB       CYS  57   6.628  -1.782   6.520
  378    H    THR  58           H        THR  58   5.721   0.114   8.098
  379    HA   THR  58           HA       THR  58   7.762   0.793  10.104
  380    HB   THR  58           HB       THR  58   4.747   1.244  10.264
  381    HG1  THR  58           HG1      THR  58   6.968   2.809   9.153
  382   1HG2  THR  58          1HG2      THR  58   6.170   1.619  12.338
  383   2HG2  THR  58          2HG2      THR  58   7.135   2.787  11.403
  384   3HG2  THR  58          3HG2      THR  58   5.415   3.111  11.724
  385    H    GLY  59           H        GLY  59   5.935  -1.805   8.949
  386   1HA   GLY  59          1HA       GLY  59   5.138  -3.711   9.834
  387   2HA   GLY  59          2HA       GLY  59   6.392  -3.548  11.047
  388    H    GLN  60           H        GLN  60   3.152  -2.030  10.242
  389    HA   GLN  60           HA       GLN  60   2.254  -2.045  12.863
  390   1HB   GLN  60          1HB       GLN  60   4.332  -0.082  12.320
  391   2HB   GLN  60          2HB       GLN  60   2.831   0.740  12.695
  392   1HG   GLN  60          1HG       GLN  60   2.618  -0.409  14.819
  393   2HG   GLN  60          2HG       GLN  60   3.886  -1.547  14.409
  394   1HE2  GLN  60          1HE2      GLN  60   6.041  -0.572  13.887
  395   2HE2  GLN  60          2HE2      GLN  60   6.606   0.735  14.875
  396    H    SER  61           H        SER  61   2.469  -0.335   9.688
  397    HA   SER  61           HA       SER  61  -0.225   0.646  10.165
  398   1HB   SER  61          1HB       SER  61   0.549   2.910   9.309
  399   2HB   SER  61          2HB       SER  61   1.146   2.477  10.898
  400    HG   SER  61           HG       SER  61   2.548   2.597   8.404
  401    H    ALA  62           H        ALA  62  -1.452   1.020   8.231
  402    HA   ALA  62           HA       ALA  62  -0.527  -0.454   5.970
  403   1HB   ALA  62          1HB       ALA  62  -2.996   1.253   6.477
  404   2HB   ALA  62          2HB       ALA  62  -2.746   0.232   5.040
  405   3HB   ALA  62          3HB       ALA  62  -2.866  -0.514   6.652
  406    H    ASP  63           H        ASP  63  -0.966   3.014   6.846
  407    HA   ASP  63           HA       ASP  63   0.189   3.770   4.326
  408   1HB   ASP  63          1HB       ASP  63  -1.539   5.223   5.232
  409   2HB   ASP  63          2HB       ASP  63  -0.734   5.315   6.786
  410    H    CYS  64           H        CYS  64   2.277   4.976   4.239
  411    HA   CYS  64           HA       CYS  64   4.097   4.127   6.313
  412   1HB   CYS  64          1HB       CYS  64   4.327   4.408   3.582
  413   2HB   CYS  64          2HB       CYS  64   5.152   5.836   4.175
  414    HA   PRO  65           HA       PRO  65   4.030   8.108   8.171
  415   1HB   PRO  65          1HB       PRO  65   6.241   7.893   9.762
  416   2HB   PRO  65          2HB       PRO  65   4.669   7.268  10.217
  417   1HG   PRO  65          1HG       PRO  65   7.054   5.788   9.289
  418   2HG   PRO  65          2HG       PRO  65   5.647   5.180  10.138
  419   1HD   PRO  65          1HD       PRO  65   6.220   4.895   7.342
  420   2HD   PRO  65          2HD       PRO  65   4.760   4.389   8.170
  421    H    ARG  66           H        ARG  66   7.459   7.324   7.693
  422    HA   ARG  66           HA       ARG  66   7.845   9.561   6.060
  423   1HB   ARG  66          1HB       ARG  66   7.230  10.743   8.196
  424   2HB   ARG  66          2HB       ARG  66   8.536   9.917   9.021
  425   1HG   ARG  66          1HG       ARG  66  10.205  10.988   7.550
  426   2HG   ARG  66          2HG       ARG  66   8.936  11.728   6.594
  427   1HD   ARG  66          1HD       ARG  66   9.341  12.254   9.578
  428   2HD   ARG  66          2HD       ARG  66   9.982  13.281   8.311
  429    HE   ARG  66           HE       ARG  66   7.185  13.099   9.165
  430   1HH1  ARG  66          2HH2      ARG  66   9.301  13.959   6.457
  431   2HH1  ARG  66          1HH2      ARG  66   8.179  15.088   5.776
  432   1HH2  ARG  66          1HH1      ARG  66   6.061  15.428   6.844
  433    H    TYR  67           H        TYR  67   9.316   7.706   8.845
  434    HA   TYR  67           HA       TYR  67  10.829   6.248   6.906
  435   1HB   TYR  67          1HB       TYR  67  12.233   8.318   7.388
  436   2HB   TYR  67          2HB       TYR  67  12.131   7.975   9.104
  437    HD1  TYR  67           HD1      TYR  67  13.678   6.518  10.151
  438    HD2  TYR  67           HD2      TYR  67  13.450   6.646   5.881
  439    HE1  TYR  67           HE1      TYR  67  15.788   5.108   9.989
  440    HE2  TYR  67           HE2      TYR  67  15.560   5.237   5.733
  441    HH   TYR  67           HH       TYR  67  17.224   4.166   8.689
  442    H    HIS  68           H        HIS  68  11.506   4.216   7.707
  443    HA   HIS  68           HA       HIS  68  11.261   2.424   8.958
  444   1HB   HIS  68          1HB       HIS  68  13.091   3.733  10.131
  445   2HB   HIS  68          2HB       HIS  68  11.888   4.228  11.305
  446    HD1  HIS  68           HD1      HIS  68  13.452   1.018   9.934
  447    HD2  HIS  68           HD2      HIS  68  11.481   2.438  13.354
  448    HE1  HIS  68           HE1      HIS  68  13.561  -0.864  11.656
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1 -21.567   3.863   9.140
    2   2H    GLY   1          2H        GLY   1 -22.877   3.303   9.984
    3   3H    GLY   1          3H        GLY   1 -21.346   3.033  10.556
    4   1HA   GLY   1          1HA       GLY   1 -21.010   1.270   9.320
    5   2HA   GLY   1          2HA       GLY   1 -22.758   1.274   9.180
    6    H    LYS   2           H        LYS   2 -21.955   0.115   7.066
    7    HA   LYS   2           HA       LYS   2 -21.873   0.138   4.861
    8   1HB   LYS   2          1HB       LYS   2 -23.088   2.897   5.194
    9   2HB   LYS   2          2HB       LYS   2 -22.996   2.024   3.677
   10   1HG   LYS   2          1HG       LYS   2 -24.702   0.600   4.241
   11   2HG   LYS   2          2HG       LYS   2 -24.130   0.402   5.886
   12   1HD   LYS   2          1HD       LYS   2 -25.069   2.639   6.488
   13   2HD   LYS   2          2HD       LYS   2 -25.628   2.853   4.842
   14   1HE   LYS   2          1HE       LYS   2 -26.485   0.498   6.585
   15   2HE   LYS   2          2HE       LYS   2 -27.383   2.002   6.510
   16   1HZ   LYS   2          1HZ       LYS   2 -26.910   0.095   4.297
   17   2HZ   LYS   2          2HZ       LYS   2 -28.341   0.604   4.883
   18    H    GLU   3           H        GLU   3 -19.509   0.903   6.401
   19    HA   GLU   3           HA       GLU   3 -18.298   2.981   4.847
   20   1HB   GLU   3          1HB       GLU   3 -16.439   2.783   6.350
   21   2HB   GLU   3          2HB       GLU   3 -17.880   2.605   7.330
   22   1HG   GLU   3          1HG       GLU   3 -17.605   0.040   6.971
   23   2HG   GLU   3          2HG       GLU   3 -16.002   0.410   6.367
   24    H    CYS   4           H        CYS   4 -15.769   2.286   4.259
   25    HA   CYS   4           HA       CYS   4 -15.936  -0.288   2.881
   26   1HB   CYS   4          1HB       CYS   4 -14.888   2.300   1.717
   27   2HB   CYS   4          2HB       CYS   4 -14.667   0.720   0.992
   28    H    ASP   5           H        ASP   5 -14.069  -1.544   3.152
   29    HA   ASP   5           HA       ASP   5 -12.054  -0.509   4.866
   30   1HB   ASP   5          1HB       ASP   5 -12.441  -3.127   3.359
   31   2HB   ASP   5          2HB       ASP   5 -10.973  -2.808   4.263
   32    H    CYS   6           H        CYS   6 -12.717  -0.681   1.439
   33    HA   CYS   6           HA       CYS   6  -9.922   0.006   0.882
   34   1HB   CYS   6          1HB       CYS   6 -11.961  -1.068  -1.075
   35   2HB   CYS   6          2HB       CYS   6 -10.269  -0.736  -1.393
   36    H    SER   7           H        SER   7  -9.756   1.656  -1.006
   37    HA   SER   7           HA       SER   7 -11.604   3.766  -0.496
   38   1HB   SER   7          1HB       SER   7  -9.342   3.620  -2.538
   39   2HB   SER   7          2HB       SER   7 -10.163   5.077  -2.013
   40    HG   SER   7           HG       SER   7  -8.170   4.837  -0.876
   41    H    SER   8           H        SER   8 -11.306   1.095  -2.705
   42    HA   SER   8           HA       SER   8 -13.322   2.322  -4.404
   43   1HB   SER   8          1HB       SER   8 -10.838   0.815  -5.331
   44   2HB   SER   8          2HB       SER   8 -12.188   1.191  -6.381
   45    HG   SER   8           HG       SER   8 -10.530   3.104  -4.970
   46    HA   PRO   9           HA       PRO   9 -15.095  -1.716  -4.080
   47   1HB   PRO   9          1HB       PRO   9 -16.909  -1.592  -6.120
   48   2HB   PRO   9          2HB       PRO   9 -17.224  -0.956  -4.518
   49   1HG   PRO   9          1HG       PRO   9 -16.594   0.512  -7.006
   50   2HG   PRO   9          2HG       PRO   9 -17.317   1.117  -5.528
   51   1HD   PRO   9          1HD       PRO   9 -14.605   1.484  -6.387
   52   2HD   PRO   9          2HD       PRO   9 -15.298   1.988  -4.858
   53    H    GLU  10           H        GLU  10 -13.577  -0.513  -6.906
   54    HA   GLU  10           HA       GLU  10 -13.631  -3.021  -8.221
   55   1HB   GLU  10          1HB       GLU  10 -11.958  -0.521  -8.726
   56   2HB   GLU  10          2HB       GLU  10 -12.027  -1.901  -9.804
   57   1HG   GLU  10          1HG       GLU  10 -14.418  -0.183  -8.981
   58   2HG   GLU  10          2HG       GLU  10 -13.584  -0.086 -10.519
   59    H    ASN  11           H        ASN  11 -11.819  -1.676  -5.618
   60    HA   ASN  11           HA       ASN  11  -9.373  -2.868  -5.969
   61   1HB   ASN  11          1HB       ASN  11 -10.240  -1.274  -4.081
   62   2HB   ASN  11          2HB       ASN  11 -10.827  -2.722  -3.288
   63   1HD2  ASN  11          1HD2      ASN  11  -8.445  -0.609  -3.205
   64   2HD2  ASN  11          2HD2      ASN  11  -7.094  -1.570  -2.704
   65    HA   PRO  12           HA       PRO  12 -10.782  -7.020  -5.799
   66   1HB   PRO  12          1HB       PRO  12  -8.394  -8.285  -6.206
   67   2HB   PRO  12          2HB       PRO  12  -9.368  -7.635  -7.509
   68   1HG   PRO  12          1HG       PRO  12  -6.875  -6.556  -6.344
   69   2HG   PRO  12          2HG       PRO  12  -7.621  -6.178  -7.885
   70   1HD   PRO  12          1HD       PRO  12  -7.668  -4.565  -5.513
   71   2HD   PRO  12          2HD       PRO  12  -8.509  -4.242  -7.018
   72    H    CYS  13           H        CYS  13  -8.805  -5.553  -3.540
   73    HA   CYS  13           HA       CYS  13  -8.573  -7.824  -1.845
   74   1HB   CYS  13          1HB       CYS  13  -8.322  -4.874  -1.220
   75   2HB   CYS  13          2HB       CYS  13  -7.894  -6.183  -0.137
   76    H    CYS  14           H        CYS  14 -11.069  -5.585  -2.778
   77    HA   CYS  14           HA       CYS  14 -12.598  -6.274  -0.374
   78   1HB   CYS  14          1HB       CYS  14 -12.481  -3.790  -2.036
   79   2HB   CYS  14          2HB       CYS  14 -13.994  -4.213  -1.258
   80    H    ASP  15           H        ASP  15 -14.719  -7.194  -0.720
   81    HA   ASP  15           HA       ASP  15 -15.530  -7.913  -3.296
   82   1HB   ASP  15          1HB       ASP  15 -16.420  -8.968  -1.236
   83   2HB   ASP  15          2HB       ASP  15 -17.123  -7.444  -0.732
   84    H    ALA  16           H        ALA  16 -17.094  -6.826  -4.698
   85    HA   ALA  16           HA       ALA  16 -16.637  -4.031  -4.659
   86   1HB   ALA  16          1HB       ALA  16 -17.920  -4.098  -6.778
   87   2HB   ALA  16          2HB       ALA  16 -16.679  -5.372  -6.722
   88   3HB   ALA  16          3HB       ALA  16 -18.388  -5.781  -6.434
   89    H    ALA  17           H        ALA  17 -19.288  -6.189  -3.663
   90    HA   ALA  17           HA       ALA  17 -21.252  -4.100  -3.876
   91   1HB   ALA  17          1HB       ALA  17 -22.797  -5.852  -3.177
   92   2HB   ALA  17          2HB       ALA  17 -21.697  -6.501  -4.416
   93   3HB   ALA  17          3HB       ALA  17 -21.441  -6.903  -2.701
   94    H    THR  18           H        THR  18 -19.662  -6.016  -1.235
   95    HA   THR  18           HA       THR  18 -21.003  -4.370   0.743
   96    HB   THR  18           HB       THR  18 -19.680  -6.041   2.255
   97    HG1  THR  18           HG1      THR  18 -18.778  -7.785   0.980
   98   1HG2  THR  18          1HG2      THR  18 -21.163  -7.938   1.731
   99   2HG2  THR  18          2HG2      THR  18 -22.098  -6.430   1.582
  100   3HG2  THR  18          3HG2      THR  18 -21.509  -7.262   0.122
  101    H    CYS  19           H        CYS  19 -17.988  -4.426  -1.009
  102    HA   CYS  19           HA       CYS  19 -16.573  -2.749  -1.188
  103   1HB   CYS  19          1HB       CYS  19 -18.677  -1.390  -0.426
  104   2HB   CYS  19          2HB       CYS  19 -17.795  -1.212   1.078
  105    H    LYS  20           H        LYS  20 -16.312  -5.104   0.652
  106    HA   LYS  20           HA       LYS  20 -14.534  -3.986   2.677
  107   1HB   LYS  20          1HB       LYS  20 -17.175  -4.631   3.265
  108   2HB   LYS  20          2HB       LYS  20 -16.290  -6.058   3.765
  109   1HG   LYS  20          1HG       LYS  20 -14.942  -4.845   5.304
  110   2HG   LYS  20          2HG       LYS  20 -15.257  -3.309   4.524
  111   1HD   LYS  20          1HD       LYS  20 -17.541  -4.870   5.770
  112   2HD   LYS  20          2HD       LYS  20 -16.492  -3.897   6.784
  113   1HE   LYS  20          1HE       LYS  20 -16.986  -1.892   5.357
  114   2HE   LYS  20          2HE       LYS  20 -18.050  -2.867   4.362
  115   1HZ   LYS  20          1HZ       LYS  20 -19.302  -1.687   6.074
  116   2HZ   LYS  20          2HZ       LYS  20 -19.414  -3.288   6.351
  117    H    LEU  21           H        LEU  21 -13.299  -5.869   3.817
  118    HA   LEU  21           HA       LEU  21 -11.792  -6.684   1.641
  119   1HB   LEU  21          1HB       LEU  21 -11.700  -7.477   4.551
  120   2HB   LEU  21          2HB       LEU  21 -10.487  -7.949   3.379
  121    HG   LEU  21           HG       LEU  21 -11.180  -5.063   3.972
  122   1HD1  LEU  21          1HD1      LEU  21 -10.388  -6.126   6.023
  123   2HD1  LEU  21          2HD1      LEU  21  -8.953  -6.739   5.164
  124   3HD1  LEU  21          3HD1      LEU  21  -9.179  -4.986   5.381
  125   1HD2  LEU  21          1HD2      LEU  21 -10.140  -5.271   1.839
  126   2HD2  LEU  21          2HD2      LEU  21  -8.906  -4.678   2.975
  127   3HD2  LEU  21          3HD2      LEU  21  -8.907  -6.386   2.476
  128    H    ARG  22           H        ARG  22 -11.809  -8.445   0.333
  129    HA   ARG  22           HA       ARG  22 -13.866 -10.327   0.663
  130   1HB   ARG  22          1HB       ARG  22 -12.015  -9.537  -1.387
  131   2HB   ARG  22          2HB       ARG  22 -11.789 -11.259  -1.153
  132   1HG   ARG  22          1HG       ARG  22 -13.974 -11.786  -1.810
  133   2HG   ARG  22          2HG       ARG  22 -14.621 -10.241  -1.298
  134   1HD   ARG  22          1HD       ARG  22 -14.559 -10.446  -3.791
  135   2HD   ARG  22          2HD       ARG  22 -13.585  -9.105  -3.223
  136    HE   ARG  22           HE       ARG  22 -11.927 -11.439  -3.370
  137   1HH1  ARG  22          2HH2      ARG  22 -13.514  -9.061  -5.463
  138   2HH1  ARG  22          1HH2      ARG  22 -12.436  -9.327  -6.792
  139   1HH2  ARG  22          1HH1      ARG  22 -10.673 -10.936  -6.570
  140    HA   PRO  23           HA       PRO  23 -10.299 -13.303   1.433
  141   1HB   PRO  23          1HB       PRO  23  -7.713 -12.448   1.657
  142   2HB   PRO  23          2HB       PRO  23  -8.425 -12.960   0.140
  143   1HG   PRO  23          1HG       PRO  23  -7.822 -10.221   1.071
  144   2HG   PRO  23          2HG       PRO  23  -8.124 -10.784  -0.560
  145   1HD   PRO  23          1HD       PRO  23  -9.950  -9.354   1.129
  146   2HD   PRO  23          2HD       PRO  23 -10.289 -10.018  -0.457
  147    H    GLY  24           H        GLY  24  -8.497 -13.985   3.244
  148   1HA   GLY  24          1HA       GLY  24  -9.135 -12.651   5.709
  149   2HA   GLY  24          2HA       GLY  24  -7.882 -13.843   5.425
  150    H    ALA  25           H        ALA  25  -8.709 -10.409   4.548
  151    HA   ALA  25           HA       ALA  25  -5.843  -9.915   4.252
  152   1HB   ALA  25          1HB       ALA  25  -6.689  -9.013   2.351
  153   2HB   ALA  25          2HB       ALA  25  -8.340  -8.928   3.014
  154   3HB   ALA  25          3HB       ALA  25  -7.160  -7.651   3.396
  155    H    GLN  26           H        GLN  26  -5.086  -7.683   5.037
  156    HA   GLN  26           HA       GLN  26  -6.384  -7.110   7.572
  157   1HB   GLN  26          1HB       GLN  26  -3.640  -6.344   6.484
  158   2HB   GLN  26          2HB       GLN  26  -4.263  -5.781   8.022
  159   1HG   GLN  26          1HG       GLN  26  -4.447  -8.090   8.856
  160   2HG   GLN  26          2HG       GLN  26  -4.002  -8.734   7.288
  161   1HE2  GLN  26          1HE2      GLN  26  -2.935  -7.525  10.275
  162   2HE2  GLN  26          2HE2      GLN  26  -1.224  -7.542  10.002
  163    H    CYS  27           H        CYS  27  -5.312  -5.642   4.461
  164    HA   CYS  27           HA       CYS  27  -7.042  -3.379   5.014
  165   1HB   CYS  27          1HB       CYS  27  -5.243  -1.794   4.307
  166   2HB   CYS  27          2HB       CYS  27  -5.040  -2.510   5.893
  167    H    GLY  28           H        GLY  28  -7.205  -1.997   2.906
  168   1HA   GLY  28          1HA       GLY  28  -6.888  -3.744   0.547
  169   2HA   GLY  28          2HA       GLY  28  -8.026  -2.421   0.709
  170    H    GLU  29           H        GLU  29  -6.287  -0.420   1.873
  171    HA   GLU  29           HA       GLU  29  -4.689   0.062  -0.519
  172   1HB   GLU  29          1HB       GLU  29  -6.833   1.797   0.742
  173   2HB   GLU  29          2HB       GLU  29  -5.561   2.519  -0.221
  174   1HG   GLU  29          1HG       GLU  29  -7.409   0.282  -1.181
  175   2HG   GLU  29          2HG       GLU  29  -7.619   1.980  -1.562
  176    H    GLY  30           H        GLY  30  -3.094   1.929  -0.218
  177   1HA   GLY  30          1HA       GLY  30  -2.052   3.284   1.607
  178   2HA   GLY  30          2HA       GLY  30  -2.056   1.807   2.550
  179    H    LEU  31           H        LEU  31   0.273   3.439   1.685
  180    HA   LEU  31           HA       LEU  31   1.430   2.157  -0.579
  181   1HB   LEU  31          1HB       LEU  31   2.556   4.064   1.475
  182   2HB   LEU  31          2HB       LEU  31   3.413   3.522   0.046
  183    HG   LEU  31           HG       LEU  31   0.768   4.989  -0.069
  184   1HD1  LEU  31          1HD1      LEU  31   3.567   6.135  -0.271
  185   2HD1  LEU  31          2HD1      LEU  31   2.054   7.011  -0.609
  186   3HD1  LEU  31          3HD1      LEU  31   2.393   6.423   1.036
  187   1HD2  LEU  31          1HD2      LEU  31   1.144   3.774  -2.077
  188   2HD2  LEU  31          2HD2      LEU  31   1.548   5.475  -2.412
  189   3HD2  LEU  31          3HD2      LEU  31   2.847   4.287  -2.150
  190    H    CYS  32           H        CYS  32   1.170   1.456   2.818
  191    HA   CYS  32           HA       CYS  32   3.449  -0.362   2.622
  192   1HB   CYS  32          1HB       CYS  32   3.367   1.318   4.489
  193   2HB   CYS  32          2HB       CYS  32   1.954   0.488   5.109
  194    H    CYS  33           H        CYS  33   0.261  -0.299   1.868
  195    HA   CYS  33           HA       CYS  33  -0.431  -2.801   3.166
  196   1HB   CYS  33          1HB       CYS  33  -2.062  -0.927   3.069
  197   2HB   CYS  33          2HB       CYS  33  -2.083  -1.063   1.322
  198    H    GLU  34           H        GLU  34   0.812  -4.405   2.130
  199    HA   GLU  34           HA       GLU  34   0.560  -4.452  -0.777
  200   1HB   GLU  34          1HB       GLU  34   2.791  -5.671   0.906
  201   2HB   GLU  34          2HB       GLU  34   2.722  -5.623  -0.844
  202   1HG   GLU  34          1HG       GLU  34   2.912  -3.214   1.022
  203   2HG   GLU  34          2HG       GLU  34   4.185  -3.823  -0.015
  204    H    GLN  35           H        GLN  35  -0.214  -6.336  -1.760
  205    HA   GLN  35           HA       GLN  35  -1.408  -8.144  -1.902
  206   1HB   GLN  35          1HB       GLN  35   0.859  -9.058  -0.958
  207   2HB   GLN  35          2HB       GLN  35  -0.024  -9.308   0.534
  208   1HG   GLN  35          1HG       GLN  35  -0.177 -11.377  -0.687
  209   2HG   GLN  35          2HG       GLN  35  -1.757 -10.626  -0.801
  210   1HE2  GLN  35          1HE2      GLN  35  -2.596 -10.130  -2.719
  211   2HE2  GLN  35          2HE2      GLN  35  -1.809 -10.312  -4.252
  212    H    CYS  36           H        CYS  36  -2.464  -5.946  -0.311
  213    HA   CYS  36           HA       CYS  36  -4.306  -5.529   0.806
  214   1HB   CYS  36          1HB       CYS  36  -4.938  -8.474   0.939
  215   2HB   CYS  36          2HB       CYS  36  -6.051  -7.121   1.006
  216    H    LYS  37           H        LYS  37  -1.633  -6.317   2.053
  217    HA   LYS  37           HA       LYS  37  -2.617  -6.810   4.748
  218   1HB   LYS  37          1HB       LYS  37  -0.695  -8.595   3.251
  219   2HB   LYS  37          2HB       LYS  37  -0.678  -8.493   5.000
  220   1HG   LYS  37          1HG       LYS  37  -3.145  -9.058   5.018
  221   2HG   LYS  37          2HG       LYS  37  -3.083  -9.255   3.278
  222   1HD   LYS  37          1HD       LYS  37  -2.778 -11.464   4.022
  223   2HD   LYS  37          2HD       LYS  37  -1.126 -10.945   3.756
  224   1HE   LYS  37          1HE       LYS  37  -0.873 -10.416   6.170
  225   2HE   LYS  37          2HE       LYS  37  -2.550 -10.837   6.459
  226   1HZ   LYS  37          1HZ       LYS  37  -0.456 -12.712   5.498
  227   2HZ   LYS  37          2HZ       LYS  37  -1.121 -12.710   6.983
  228    H    PHE  38           H        PHE  38  -0.796  -6.424   6.384
  229    HA   PHE  38           HA       PHE  38   0.493  -3.985   5.663
  230   1HB   PHE  38          1HB       PHE  38   0.309  -5.867   8.064
  231   2HB   PHE  38          2HB       PHE  38   1.464  -4.550   8.105
  232    HD1  PHE  38           HD1      PHE  38  -2.130  -4.980   7.145
  233    HD2  PHE  38           HD2      PHE  38   0.759  -2.691   9.250
  234    HE1  PHE  38           HE1      PHE  38  -3.935  -3.422   7.929
  235    HE2  PHE  38           HE2      PHE  38  -1.047  -1.133  10.033
  236    HZ   PHE  38           HZ       PHE  38  -3.372  -1.517   9.364
  237    H    SER  39           H        SER  39   2.439  -3.801   4.668
  238    HA   SER  39           HA       SER  39   4.039  -6.019   4.191
  239   1HB   SER  39          1HB       SER  39   4.416  -4.378   2.613
  240   2HB   SER  39          2HB       SER  39   4.210  -3.069   3.759
  241    HG   SER  39           HG       SER  39   6.328  -3.366   4.524
  242    H    ARG  40           H        ARG  40   6.479  -6.087   4.834
  243    HA   ARG  40           HA       ARG  40   6.461  -6.234   7.646
  244   1HB   ARG  40          1HB       ARG  40   8.496  -6.840   5.471
  245   2HB   ARG  40          2HB       ARG  40   8.986  -6.881   7.153
  246   1HG   ARG  40          1HG       ARG  40   6.447  -8.331   6.548
  247   2HG   ARG  40          2HG       ARG  40   7.882  -9.016   5.810
  248   1HD   ARG  40          1HD       ARG  40   7.534 -10.032   8.026
  249   2HD   ARG  40          2HD       ARG  40   9.006  -9.082   8.046
  250    HE   ARG  40           HE       ARG  40   6.414  -7.963   9.062
  251   1HH1  ARG  40          2HH2      ARG  40   9.466  -9.306  10.073
  252   2HH1  ARG  40          1HH2      ARG  40   9.836  -8.047  11.202
  253   1HH2  ARG  40          1HH1      ARG  40   8.221  -6.304  11.561
  254    H    ALA  41           H        ALA  41   8.133  -5.220   9.088
  255    HA   ALA  41           HA       ALA  41   8.363  -2.460   8.627
  256   1HB   ALA  41          1HB       ALA  41   8.244  -3.590  10.854
  257   2HB   ALA  41          2HB       ALA  41   9.881  -4.235  10.582
  258   3HB   ALA  41          3HB       ALA  41   9.626  -2.478  10.714
  259    H    GLY  42           H        GLY  42   9.961  -1.225   7.685
  260   1HA   GLY  42          1HA       GLY  42  12.205  -0.697   7.383
  261   2HA   GLY  42          2HA       GLY  42  12.638  -2.392   7.489
  262    H    LYS  43           H        LYS  43   9.986  -2.620   5.596
  263    HA   LYS  43           HA       LYS  43  11.484  -2.717   3.170
  264   1HB   LYS  43          1HB       LYS  43   9.610  -4.278   3.856
  265   2HB   LYS  43          2HB       LYS  43   8.489  -2.970   3.540
  266   1HG   LYS  43          1HG       LYS  43   9.570  -2.801   1.191
  267   2HG   LYS  43          2HG       LYS  43  10.360  -4.323   1.552
  268   1HD   LYS  43          1HD       LYS  43   7.338  -3.892   1.658
  269   2HD   LYS  43          2HD       LYS  43   8.186  -4.583   0.289
  270   1HE   LYS  43          1HE       LYS  43   9.086  -6.390   1.836
  271   2HE   LYS  43          2HE       LYS  43   8.088  -5.735   3.117
  272   1HZ   LYS  43          1HZ       LYS  43   6.126  -6.155   1.716
  273   2HZ   LYS  43          2HZ       LYS  43   7.056  -6.769   0.528
  274    H    ILE  44           H        ILE  44  11.721  -1.175   1.616
  275    HA   ILE  44           HA       ILE  44  11.072   1.462   2.357
  276    HB   ILE  44           HB       ILE  44  12.447   0.093   0.118
  277   1HG1  ILE  44          1HG1      ILE  44  14.138   1.897   0.668
  278   2HG1  ILE  44          2HG1      ILE  44  13.090   2.390   1.983
  279   1HG2  ILE  44          1HG2      ILE  44  12.653   2.287  -1.100
  280   2HG2  ILE  44          2HG2      ILE  44  11.063   1.497  -1.211
  281   3HG2  ILE  44          3HG2      ILE  44  11.294   2.879  -0.115
  282   1HD1  ILE  44          1HD1      ILE  44  13.272   0.214   3.057
  283   2HD1  ILE  44          2HD1      ILE  44  14.117  -0.463   1.645
  284   3HD1  ILE  44          3HD1      ILE  44  14.916   0.764   2.657
  285    H    CYS  45           H        CYS  45   9.233   2.602   2.068
  286    HA   CYS  45           HA       CYS  45   7.152   1.315   0.527
  287   1HB   CYS  45          1HB       CYS  45   5.636   2.835   1.597
  288   2HB   CYS  45          2HB       CYS  45   6.666   2.083   2.799
  289    H    ARG  46           H        ARG  46   9.356   4.116   0.515
  290    HA   ARG  46           HA       ARG  46   8.161   4.965  -1.978
  291   1HB   ARG  46          1HB       ARG  46   7.250   6.286   0.073
  292   2HB   ARG  46          2HB       ARG  46   8.858   6.968   0.216
  293   1HG   ARG  46          1HG       ARG  46   8.712   7.831  -2.121
  294   2HG   ARG  46          2HG       ARG  46   7.115   7.128  -2.289
  295   1HD   ARG  46          1HD       ARG  46   7.780   9.146  -0.099
  296   2HD   ARG  46          2HD       ARG  46   7.209   9.638  -1.681
  297    HE   ARG  46           HE       ARG  46   5.120   8.373  -1.253
  298   1HH1  ARG  46          2HH2      ARG  46   7.217   8.081   1.533
  299   2HH1  ARG  46          1HH2      ARG  46   5.971   8.385   2.697
  300   1HH2  ARG  46          1HH1      ARG  46   3.718   8.702   1.932
  301    H    ILE  47           H        ILE  47   9.681   5.908  -3.436
  302    HA   ILE  47           HA       ILE  47  12.426   5.414  -2.721
  303    HB   ILE  47           HB       ILE  47  11.047   6.244  -5.271
  304   1HG1  ILE  47          1HG1      ILE  47  12.345   3.832  -5.661
  305   2HG1  ILE  47          2HG1      ILE  47  11.758   3.687  -4.016
  306   1HG2  ILE  47          1HG2      ILE  47  13.320   7.239  -5.109
  307   2HG2  ILE  47          2HG2      ILE  47  13.984   5.599  -4.912
  308   3HG2  ILE  47          3HG2      ILE  47  13.150   6.046  -6.420
  309   1HD1  ILE  47          1HD1      ILE  47  10.097   2.895  -5.729
  310   2HD1  ILE  47          2HD1      ILE  47   9.468   4.220  -4.719
  311   3HD1  ILE  47          3HD1      ILE  47  10.025   4.551  -6.377
  312    HA   PRO  48           HA       PRO  48  13.261   9.607  -1.820
  313   1HB   PRO  48          1HB       PRO  48  15.978   9.415  -1.583
  314   2HB   PRO  48          2HB       PRO  48  14.873   9.054  -0.272
  315   1HG   PRO  48          1HG       PRO  48  16.405   7.183  -1.972
  316   2HG   PRO  48          2HG       PRO  48  15.649   6.887  -0.419
  317   1HD   PRO  48          1HD       PRO  48  14.666   6.076  -2.990
  318   2HD   PRO  48          2HD       PRO  48  13.854   5.882  -1.448
  319    H    ARG  49           H        ARG  49  13.426  11.431  -3.008
  320    HA   ARG  49           HA       ARG  49  14.375  11.144  -5.642
  321   1HB   ARG  49          1HB       ARG  49  12.642  12.840  -4.825
  322   2HB   ARG  49          2HB       ARG  49  13.943  13.724  -4.054
  323   1HG   ARG  49          1HG       ARG  49  15.093  13.826  -6.351
  324   2HG   ARG  49          2HG       ARG  49  13.617  13.176  -7.038
  325   1HD   ARG  49          1HD       ARG  49  13.779  15.749  -5.392
  326   2HD   ARG  49          2HD       ARG  49  13.720  15.690  -7.141
  327    HE   ARG  49           HE       ARG  49  11.485  15.238  -5.303
  328   1HH1  ARG  49          2HH2      ARG  49  12.698  14.570  -8.565
  329   2HH1  ARG  49          1HH2      ARG  49  11.118  14.381  -9.248
  330   1HH2  ARG  49          1HH1      ARG  49   9.193  14.602  -7.836
  331    H    GLY  50           H        GLY  50  16.575  10.311  -5.360
  332   1HA   GLY  50          1HA       GLY  50  18.770  10.739  -5.662
  333   2HA   GLY  50          2HA       GLY  50  18.449  12.453  -5.492
  334    H    ASP  51           H        ASP  51  18.152  13.335  -3.198
  335    HA   ASP  51           HA       ASP  51  20.466  12.153  -1.913
  336   1HB   ASP  51          1HB       ASP  51  20.559  14.514  -2.828
  337   2HB   ASP  51          2HB       ASP  51  19.313  14.972  -1.684
  338    H    MET  52           H        MET  52  17.180  12.075  -1.603
  339    HA   MET  52           HA       MET  52  16.965  12.789   1.153
  340   1HB   MET  52          1HB       MET  52  15.118  11.578  -0.956
  341   2HB   MET  52          2HB       MET  52  14.606  11.661   0.717
  342   1HG   MET  52          1HG       MET  52  14.798  14.091   0.745
  343   2HG   MET  52          2HG       MET  52  15.608  14.108  -0.808
  344   1HE   MET  52          1HE       MET  52  11.166  13.268  -0.008
  345   2HE   MET  52          2HE       MET  52  12.366  12.023   0.409
  346   3HE   MET  52          3HE       MET  52  12.437  13.622   1.186
  347    HA   PRO  53           HA       PRO  53  17.206   8.603   2.673
  348   1HB   PRO  53          1HB       PRO  53  15.656   8.793   4.915
  349   2HB   PRO  53          2HB       PRO  53  17.354   9.223   4.885
  350   1HG   PRO  53          1HG       PRO  53  14.993  11.001   4.938
  351   2HG   PRO  53          2HG       PRO  53  16.659  11.376   5.331
  352   1HD   PRO  53          1HD       PRO  53  15.267  12.066   2.919
  353   2HD   PRO  53          2HD       PRO  53  16.964  12.339   3.265
  354    H    ASP  54           H        ASP  54  16.184   6.646   2.413
  355    HA   ASP  54           HA       ASP  54  13.793   6.784   0.980
  356   1HB   ASP  54          1HB       ASP  54  13.783   4.278   1.313
  357   2HB   ASP  54          2HB       ASP  54  15.284   4.902   0.660
  358    H    ASP  55           H        ASP  55  11.616   6.347   1.696
  359    HA   ASP  55           HA       ASP  55  11.248   6.508   4.541
  360   1HB   ASP  55          1HB       ASP  55   9.178   6.327   2.303
  361   2HB   ASP  55          2HB       ASP  55   8.850   6.756   3.970
  362    H    ARG  56           H        ARG  56  10.046   4.820   5.749
  363    HA   ARG  56           HA       ARG  56  10.389   2.272   4.380
  364   1HB   ARG  56          1HB       ARG  56  11.247   3.090   7.198
  365   2HB   ARG  56          2HB       ARG  56  11.196   1.419   6.676
  366   1HG   ARG  56          1HG       ARG  56  12.834   1.859   4.898
  367   2HG   ARG  56          2HG       ARG  56  12.788   3.581   5.222
  368   1HD   ARG  56          1HD       ARG  56  13.750   3.229   7.473
  369   2HD   ARG  56          2HD       ARG  56  13.682   1.490   7.266
  370    HE   ARG  56           HE       ARG  56  15.167   2.592   5.084
  371   1HH1  ARG  56          2HH2      ARG  56  15.480   2.175   8.589
  372   2HH1  ARG  56          1HH2      ARG  56  17.205   2.032   8.543
  373   1HH2  ARG  56          1HH1      ARG  56  18.343   2.226   6.442
  374    H    CYS  57           H        CYS  57   9.028   0.482   5.212
  375    HA   CYS  57           HA       CYS  57   6.562   1.309   6.347
  376   1HB   CYS  57          1HB       CYS  57   7.775  -1.278   5.485
  377   2HB   CYS  57          2HB       CYS  57   6.417  -1.334   6.591
  378    H    THR  58           H        THR  58   5.742   0.541   8.482
  379    HA   THR  58           HA       THR  58   7.935   0.363  10.429
  380    HB   THR  58           HB       THR  58   5.810   0.999  11.934
  381    HG1  THR  58           HG1      THR  58   5.140   2.251   9.416
  382   1HG2  THR  58          1HG2      THR  58   7.643   2.618  11.604
  383   2HG2  THR  58          2HG2      THR  58   7.115   2.916   9.930
  384   3HG2  THR  58          3HG2      THR  58   6.094   3.438  11.292
  385    H    GLY  59           H        GLY  59   5.625  -1.548   8.787
  386   1HA   GLY  59          1HA       GLY  59   4.909  -3.668   9.152
  387   2HA   GLY  59          2HA       GLY  59   5.874  -3.747  10.613
  388    H    GLN  60           H        GLN  60   4.003  -0.879  10.646
  389    HA   GLN  60           HA       GLN  60   2.082  -2.237  12.366
  390   1HB   GLN  60          1HB       GLN  60   3.798   0.194  12.994
  391   2HB   GLN  60          2HB       GLN  60   2.345  -0.173  13.902
  392   1HG   GLN  60          1HG       GLN  60   3.238  -2.170  14.798
  393   2HG   GLN  60          2HG       GLN  60   4.404  -2.355  13.504
  394   1HE2  GLN  60          1HE2      GLN  60   6.294  -1.147  13.480
  395   2HE2  GLN  60          2HE2      GLN  60   6.918  -0.341  14.882
  396    H    SER  61           H        SER  61   2.275  -0.765   9.538
  397    HA   SER  61           HA       SER  61  -0.015   0.938   9.972
  398   1HB   SER  61          1HB       SER  61   2.351   2.049   8.437
  399   2HB   SER  61          2HB       SER  61   0.976   2.914   9.095
  400    HG   SER  61           HG       SER  61   3.246   1.819  10.487
  401    H    ALA  62           H        ALA  62  -1.313   1.177   8.069
  402    HA   ALA  62           HA       ALA  62  -0.579  -0.592   5.886
  403   1HB   ALA  62          1HB       ALA  62  -2.917  -0.080   5.138
  404   2HB   ALA  62          2HB       ALA  62  -2.836  -0.754   6.785
  405   3HB   ALA  62          3HB       ALA  62  -3.095   0.991   6.548
  406    H    ASP  63           H        ASP  63  -1.326   2.898   6.530
  407    HA   ASP  63           HA       ASP  63  -0.166   3.548   3.981
  408   1HB   ASP  63          1HB       ASP  63  -1.126   5.296   6.295
  409   2HB   ASP  63          2HB       ASP  63  -0.554   5.924   4.763
  410    H    CYS  64           H        CYS  64   1.886   4.718   3.799
  411    HA   CYS  64           HA       CYS  64   3.753   3.884   5.761
  412   1HB   CYS  64          1HB       CYS  64   4.137   4.018   3.269
  413   2HB   CYS  64          2HB       CYS  64   4.228   5.760   3.440
  414    HA   PRO  65           HA       PRO  65   3.704   7.713   8.002
  415   1HB   PRO  65          1HB       PRO  65   5.644   7.064   9.814
  416   2HB   PRO  65          2HB       PRO  65   3.949   6.686  10.048
  417   1HG   PRO  65          1HG       PRO  65   6.164   4.877   9.301
  418   2HG   PRO  65          2HG       PRO  65   4.586   4.473   9.945
  419   1HD   PRO  65          1HD       PRO  65   5.442   4.223   7.219
  420   2HD   PRO  65          2HD       PRO  65   3.831   3.929   7.843
  421    H    ARG  66           H        ARG  66   7.016   6.609   8.254
  422    HA   ARG  66           HA       ARG  66   7.829   8.104   6.031
  423   1HB   ARG  66          1HB       ARG  66   7.391   9.756   8.167
  424   2HB   ARG  66          2HB       ARG  66   9.041   9.279   8.517
  425   1HG   ARG  66          1HG       ARG  66   8.129  10.387   5.821
  426   2HG   ARG  66          2HG       ARG  66   8.838  11.368   7.087
  427   1HD   ARG  66          1HD       ARG  66  10.889   9.877   7.033
  428   2HD   ARG  66          2HD       ARG  66  10.183   9.009   5.685
  429    HE   ARG  66           HE       ARG  66  10.285  11.902   5.249
  430   1HH1  ARG  66          2HH2      ARG  66  12.281   8.979   5.141
  431   2HH1  ARG  66          1HH2      ARG  66  13.157   9.478   3.733
  432   1HH2  ARG  66          1HH1      ARG  66  12.823  11.700   2.884
  433    H    TYR  67           H        TYR  67   9.059   7.280   9.367
  434    HA   TYR  67           HA       TYR  67  10.912   5.381   8.213
  435   1HB   TYR  67          1HB       TYR  67  11.910   7.772   8.133
  436   2HB   TYR  67          2HB       TYR  67  11.734   7.844   9.875
  437    HD1  TYR  67           HD1      TYR  67  13.302   6.757  11.338
  438    HD2  TYR  67           HD2      TYR  67  13.547   6.181   7.106
  439    HE1  TYR  67           HE1      TYR  67  15.596   5.695  11.607
  440    HE2  TYR  67           HE2      TYR  67  15.840   5.123   7.390
  441    HH   TYR  67           HH       TYR  67  17.356   4.463   8.775
  442    H    HIS  68           H        HIS  68   8.542   5.694  10.293
  443    HA   HIS  68           HA       HIS  68   9.583   4.566  12.612
  444   1HB   HIS  68          1HB       HIS  68  10.345   7.291  12.254
  445   2HB   HIS  68          2HB       HIS  68   9.154   7.245  13.539
  446    HD1  HIS  68           HD1      HIS  68  12.172   5.024  12.658
  447    HD2  HIS  68           HD2      HIS  68  10.432   6.999  15.924
  448    HE1  HIS  68           HE1      HIS  68  13.660   4.524  14.670
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1 -19.443  10.227   3.280
    2   2H    GLY   1          2H        GLY   1 -18.625   9.116   4.196
    3   3H    GLY   1          3H        GLY   1 -18.889   8.829   2.587
    4   1HA   GLY   1          1HA       GLY   1 -20.928   8.984   4.685
    5   2HA   GLY   1          2HA       GLY   1 -21.268   8.790   2.977
    6    H    LYS   2           H        LYS   2 -20.497   6.823   1.848
    7    HA   LYS   2           HA       LYS   2 -20.804   4.507   3.412
    8   1HB   LYS   2          1HB       LYS   2 -21.404   4.740   1.003
    9   2HB   LYS   2          2HB       LYS   2 -19.699   4.787   0.601
   10   1HG   LYS   2          1HG       LYS   2 -19.374   2.536   1.604
   11   2HG   LYS   2          2HG       LYS   2 -21.058   2.490   2.090
   12   1HD   LYS   2          1HD       LYS   2 -21.722   2.704  -0.344
   13   2HD   LYS   2          2HD       LYS   2 -20.028   2.630  -0.783
   14   1HE   LYS   2          1HE       LYS   2 -19.875   0.382   0.389
   15   2HE   LYS   2          2HE       LYS   2 -21.602   0.454   0.675
   16   1HZ   LYS   2          1HZ       LYS   2 -21.057  -0.776  -1.368
   17   2HZ   LYS   2          2HZ       LYS   2 -21.954   0.534  -1.728
   18    H    GLU   3           H        GLU   3 -19.313   3.005   4.207
   19    HA   GLU   3           HA       GLU   3 -16.659   4.102   4.493
   20   1HB   GLU   3          1HB       GLU   3 -18.013   1.715   5.828
   21   2HB   GLU   3          2HB       GLU   3 -16.391   2.268   6.198
   22   1HG   GLU   3          1HG       GLU   3 -17.314   4.511   6.846
   23   2HG   GLU   3          2HG       GLU   3 -18.933   3.940   6.495
   24    H    CYS   4           H        CYS   4 -14.878   3.321   3.412
   25    HA   CYS   4           HA       CYS   4 -15.170   0.672   2.196
   26   1HB   CYS   4          1HB       CYS   4 -13.728   3.057   1.020
   27   2HB   CYS   4          2HB       CYS   4 -13.725   1.437   0.354
   28    H    ASP   5           H        ASP   5 -13.523  -0.759   2.784
   29    HA   ASP   5           HA       ASP   5 -11.366   0.184   4.359
   30   1HB   ASP   5          1HB       ASP   5 -11.929  -2.480   2.979
   31   2HB   ASP   5          2HB       ASP   5 -10.522  -2.213   3.989
   32    H    CYS   6           H        CYS   6 -12.111  -0.294   0.946
   33    HA   CYS   6           HA       CYS   6  -9.272  -0.127   0.268
   34   1HB   CYS   6          1HB       CYS   6 -11.601  -0.986  -1.461
   35   2HB   CYS   6          2HB       CYS   6  -9.919  -0.940  -1.950
   36    H    SER   7           H        SER   7  -8.929   1.223  -1.872
   37    HA   SER   7           HA       SER   7 -10.444   3.662  -1.592
   38   1HB   SER   7          1HB       SER   7  -7.997   2.975  -3.282
   39   2HB   SER   7          2HB       SER   7  -8.737   4.563  -3.220
   40    HG   SER   7           HG       SER   7  -7.779   3.182  -0.864
   41    H    SER   8           H        SER   8 -10.644   0.739  -3.292
   42    HA   SER   8           HA       SER   8 -12.167   2.007  -5.400
   43   1HB   SER   8          1HB       SER   8  -9.920   0.000  -5.874
   44   2HB   SER   8          2HB       SER   8 -11.075   0.485  -7.099
   45    HG   SER   8           HG       SER   8 -10.324   2.702  -6.843
   46    HA   PRO   9           HA       PRO   9 -14.601  -1.627  -4.754
   47   1HB   PRO   9          1HB       PRO   9 -16.180  -1.537  -6.983
   48   2HB   PRO   9          2HB       PRO   9 -16.527  -0.628  -5.525
   49   1HG   PRO   9          1HG       PRO   9 -15.444   0.342  -8.099
   50   2HG   PRO   9          2HG       PRO   9 -16.187   1.260  -6.804
   51   1HD   PRO   9          1HD       PRO   9 -13.386   1.084  -7.396
   52   2HD   PRO   9          2HD       PRO   9 -14.120   1.908  -6.034
   53    H    GLU  10           H        GLU  10 -12.717  -1.094  -7.583
   54    HA   GLU  10           HA       GLU  10 -13.049  -3.757  -8.497
   55   1HB   GLU  10          1HB       GLU  10 -11.097  -1.542  -9.251
   56   2HB   GLU  10          2HB       GLU  10 -11.134  -3.098 -10.056
   57   1HG   GLU  10          1HG       GLU  10 -13.530  -2.730 -10.668
   58   2HG   GLU  10          2HG       GLU  10 -13.504  -1.179  -9.853
   59    H    ASN  11           H        ASN  11 -11.177  -2.215  -6.031
   60    HA   ASN  11           HA       ASN  11  -8.919  -3.739  -5.966
   61   1HB   ASN  11          1HB       ASN  11  -9.628  -1.810  -4.404
   62   2HB   ASN  11          2HB       ASN  11 -10.591  -2.975  -3.519
   63   1HD2  ASN  11          1HD2      ASN  11  -7.840  -1.364  -3.387
   64   2HD2  ASN  11          2HD2      ASN  11  -6.788  -2.468  -2.565
   65    HA   PRO  12           HA       PRO  12 -10.880  -7.608  -5.510
   66   1HB   PRO  12          1HB       PRO  12  -8.674  -9.222  -5.536
   67   2HB   PRO  12          2HB       PRO  12  -9.405  -8.576  -6.991
   68   1HG   PRO  12          1HG       PRO  12  -6.912  -7.740  -5.641
   69   2HG   PRO  12          2HG       PRO  12  -7.433  -7.417  -7.284
   70   1HD   PRO  12          1HD       PRO  12  -7.483  -5.586  -5.075
   71   2HD   PRO  12          2HD       PRO  12  -8.111  -5.302  -6.686
   72    H    CYS  13           H        CYS  13  -8.844  -6.269  -3.188
   73    HA   CYS  13           HA       CYS  13  -9.109  -8.367  -1.305
   74   1HB   CYS  13          1HB       CYS  13  -8.538  -5.439  -0.807
   75   2HB   CYS  13          2HB       CYS  13  -8.267  -6.762   0.309
   76    H    CYS  14           H        CYS  14 -11.088  -5.699  -2.496
   77    HA   CYS  14           HA       CYS  14 -12.941  -6.094  -0.269
   78   1HB   CYS  14          1HB       CYS  14 -12.527  -3.805  -2.184
   79   2HB   CYS  14          2HB       CYS  14 -14.006  -3.974  -1.258
   80    H    ASP  15           H        ASP  15 -15.215  -6.577  -0.804
   81    HA   ASP  15           HA       ASP  15 -15.723  -7.341  -3.510
   82   1HB   ASP  15          1HB       ASP  15 -16.806  -8.383  -1.438
   83   2HB   ASP  15          2HB       ASP  15 -17.700  -6.891  -1.230
   84    H    ALA  16           H        ALA  16 -17.378  -6.196  -4.864
   85    HA   ALA  16           HA       ALA  16 -16.899  -3.411  -4.796
   86   1HB   ALA  16          1HB       ALA  16 -18.817  -5.101  -6.452
   87   2HB   ALA  16          2HB       ALA  16 -18.361  -3.416  -6.797
   88   3HB   ALA  16          3HB       ALA  16 -17.134  -4.702  -6.876
   89    H    ALA  17           H        ALA  17 -19.468  -5.558  -3.605
   90    HA   ALA  17           HA       ALA  17 -21.471  -3.536  -3.585
   91   1HB   ALA  17          1HB       ALA  17 -22.805  -5.253  -2.471
   92   2HB   ALA  17          2HB       ALA  17 -21.903  -5.983  -3.821
   93   3HB   ALA  17          3HB       ALA  17 -21.344  -6.218  -2.147
   94    H    THR  18           H        THR  18 -19.167  -4.946  -1.204
   95    HA   THR  18           HA       THR  18 -20.357  -3.354   0.919
   96    HB   THR  18           HB       THR  18 -18.833  -4.715   2.332
   97    HG1  THR  18           HG1      THR  18 -17.248  -5.967   1.232
   98   1HG2  THR  18          1HG2      THR  18 -19.874  -6.568   0.140
   99   2HG2  THR  18          2HG2      THR  18 -19.675  -6.929   1.871
  100   3HG2  THR  18          3HG2      THR  18 -20.963  -5.824   1.335
  101    H    CYS  19           H        CYS  19 -17.609  -3.307  -1.297
  102    HA   CYS  19           HA       CYS  19 -15.997  -1.844  -1.599
  103   1HB   CYS  19          1HB       CYS  19 -17.940  -0.203  -0.976
  104   2HB   CYS  19          2HB       CYS  19 -17.040   0.016   0.511
  105    H    LYS  20           H        LYS  20 -16.206  -3.953   0.673
  106    HA   LYS  20           HA       LYS  20 -14.078  -2.911   2.378
  107   1HB   LYS  20          1HB       LYS  20 -16.855  -3.649   3.236
  108   2HB   LYS  20          2HB       LYS  20 -15.517  -4.020   4.304
  109   1HG   LYS  20          1HG       LYS  20 -14.803  -1.674   4.332
  110   2HG   LYS  20          2HG       LYS  20 -15.965  -1.255   3.091
  111   1HD   LYS  20          1HD       LYS  20 -17.002  -0.571   5.125
  112   2HD   LYS  20          2HD       LYS  20 -17.800  -2.076   4.716
  113   1HE   LYS  20          1HE       LYS  20 -16.415  -3.327   6.303
  114   2HE   LYS  20          2HE       LYS  20 -15.400  -1.929   6.598
  115   1HZ   LYS  20          1HZ       LYS  20 -17.326  -0.793   7.561
  116   2HZ   LYS  20          2HZ       LYS  20 -18.297  -2.062   7.251
  117    H    LEU  21           H        LEU  21 -13.257  -4.814   3.865
  118    HA   LEU  21           HA       LEU  21 -12.115  -6.391   1.867
  119   1HB   LEU  21          1HB       LEU  21 -11.973  -6.620   4.877
  120   2HB   LEU  21          2HB       LEU  21 -10.932  -7.472   3.754
  121    HG   LEU  21           HG       LEU  21 -11.093  -4.461   3.734
  122   1HD1  LEU  21          1HD1      LEU  21  -9.311  -6.154   5.506
  123   2HD1  LEU  21          2HD1      LEU  21  -9.152  -4.401   5.249
  124   3HD1  LEU  21          3HD1      LEU  21 -10.608  -5.056   6.035
  125   1HD2  LEU  21          1HD2      LEU  21  -8.900  -6.391   2.925
  126   2HD2  LEU  21          2HD2      LEU  21 -10.031  -5.572   1.820
  127   3HD2  LEU  21          3HD2      LEU  21  -8.864  -4.619   2.767
  128    H    ARG  22           H        ARG  22 -12.536  -8.433   1.093
  129    HA   ARG  22           HA       ARG  22 -14.751  -9.835   2.217
  130   1HB   ARG  22          1HB       ARG  22 -12.856 -11.087   0.219
  131   2HB   ARG  22          2HB       ARG  22 -14.598 -11.246   0.328
  132   1HG   ARG  22          1HG       ARG  22 -14.703  -8.719  -0.285
  133   2HG   ARG  22          2HG       ARG  22 -13.010  -8.865  -0.712
  134   1HD   ARG  22          1HD       ARG  22 -15.231 -10.611  -1.883
  135   2HD   ARG  22          2HD       ARG  22 -14.578  -9.189  -2.671
  136    HE   ARG  22           HE       ARG  22 -12.355 -10.806  -2.036
  137   1HH1  ARG  22          2HH2      ARG  22 -15.197 -10.936  -4.145
  138   2HH1  ARG  22          1HH2      ARG  22 -14.499 -12.099  -5.224
  139   1HH2  ARG  22          1HH1      ARG  22 -12.272 -12.885  -4.819
  140    HA   PRO  23           HA       PRO  23 -11.383 -13.014   2.797
  141   1HB   PRO  23          1HB       PRO  23  -8.726 -12.461   2.476
  142   2HB   PRO  23          2HB       PRO  23  -9.755 -13.013   1.170
  143   1HG   PRO  23          1HG       PRO  23  -8.709 -10.297   1.684
  144   2HG   PRO  23          2HG       PRO  23  -9.364 -10.958   0.200
  145   1HD   PRO  23          1HD       PRO  23 -10.689  -9.177   2.018
  146   2HD   PRO  23          2HD       PRO  23 -11.382  -9.930   0.595
  147    H    GLY  24           H        GLY  24  -9.479 -13.820   4.337
  148   1HA   GLY  24          1HA       GLY  24  -9.690 -12.427   6.822
  149   2HA   GLY  24          2HA       GLY  24  -8.604 -13.742   6.419
  150    H    ALA  25           H        ALA  25  -9.122 -10.215   5.646
  151    HA   ALA  25           HA       ALA  25  -6.234 -10.093   5.108
  152   1HB   ALA  25          1HB       ALA  25  -7.176  -9.707   3.033
  153   2HB   ALA  25          2HB       ALA  25  -8.662  -9.004   3.717
  154   3HB   ALA  25          3HB       ALA  25  -7.162  -8.046   3.672
  155    H    GLN  26           H        GLN  26  -5.321  -7.802   5.401
  156    HA   GLN  26           HA       GLN  26  -6.459  -6.746   7.855
  157   1HB   GLN  26          1HB       GLN  26  -3.707  -6.349   6.601
  158   2HB   GLN  26          2HB       GLN  26  -4.223  -5.622   8.109
  159   1HG   GLN  26          1HG       GLN  26  -4.585  -7.871   9.099
  160   2HG   GLN  26          2HG       GLN  26  -4.154  -8.630   7.580
  161   1HE2  GLN  26          1HE2      GLN  26  -3.055  -7.123  10.459
  162   2HE2  GLN  26          2HE2      GLN  26  -1.347  -7.296  10.226
  163    H    CYS  27           H        CYS  27  -5.222  -5.763   4.596
  164    HA   CYS  27           HA       CYS  27  -6.778  -3.315   4.862
  165   1HB   CYS  27          1HB       CYS  27  -4.829  -2.060   3.845
  166   2HB   CYS  27          2HB       CYS  27  -4.717  -2.478   5.543
  167    H    GLY  28           H        GLY  28  -6.955  -2.227   2.612
  168   1HA   GLY  28          1HA       GLY  28  -6.794  -4.262   0.477
  169   2HA   GLY  28          2HA       GLY  28  -7.910  -2.912   0.522
  170    H    GLU  29           H        GLU  29  -5.854  -0.974   1.551
  171    HA   GLU  29           HA       GLU  29  -4.203  -0.796  -0.830
  172   1HB   GLU  29          1HB       GLU  29  -6.484   0.948  -0.112
  173   2HB   GLU  29          2HB       GLU  29  -5.013   1.837  -0.447
  174   1HG   GLU  29          1HG       GLU  29  -5.873  -0.378  -2.328
  175   2HG   GLU  29          2HG       GLU  29  -6.654   1.188  -2.429
  176    H    GLY  30           H        GLY  30  -2.578   1.135  -0.576
  177   1HA   GLY  30          1HA       GLY  30  -1.651   2.573   1.265
  178   2HA   GLY  30          2HA       GLY  30  -1.651   1.111   2.231
  179    H    LEU  31           H        LEU  31   0.628   2.860   1.295
  180    HA   LEU  31           HA       LEU  31   1.974   1.555  -0.797
  181   1HB   LEU  31          1HB       LEU  31   2.889   3.407   1.400
  182   2HB   LEU  31          2HB       LEU  31   3.953   2.817   0.139
  183    HG   LEU  31           HG       LEU  31   1.396   4.227  -0.587
  184   1HD1  LEU  31          1HD1      LEU  31   4.003   5.572   0.172
  185   2HD1  LEU  31          2HD1      LEU  31   2.627   6.367  -0.630
  186   3HD1  LEU  31          3HD1      LEU  31   2.441   5.712   1.014
  187   1HD2  LEU  31          1HD2      LEU  31   4.088   3.971  -1.955
  188   2HD2  LEU  31          2HD2      LEU  31   2.597   3.093  -2.370
  189   3HD2  LEU  31          3HD2      LEU  31   2.680   4.857  -2.586
  190    H    CYS  32           H        CYS  32   1.549   0.861   2.626
  191    HA   CYS  32           HA       CYS  32   3.757  -1.050   2.482
  192   1HB   CYS  32          1HB       CYS  32   3.798   0.719   4.264
  193   2HB   CYS  32          2HB       CYS  32   2.360  -0.010   4.953
  194    H    CYS  33           H        CYS  33   0.792  -1.113   1.463
  195    HA   CYS  33           HA       CYS  33  -0.006  -3.493   2.963
  196   1HB   CYS  33          1HB       CYS  33  -1.629  -1.599   2.816
  197   2HB   CYS  33          2HB       CYS  33  -1.679  -1.822   1.079
  198    H    GLU  34           H        GLU  34   0.478  -5.432   1.961
  199    HA   GLU  34           HA       GLU  34  -0.180  -5.554  -0.838
  200   1HB   GLU  34          1HB       GLU  34   2.034  -7.221  -0.789
  201   2HB   GLU  34          2HB       GLU  34   1.997  -5.607  -1.473
  202   1HG   GLU  34          1HG       GLU  34   2.799  -4.626   0.624
  203   2HG   GLU  34          2HG       GLU  34   2.638  -6.157   1.461
  204    H    GLN  35           H        GLN  35  -0.649  -7.807  -1.554
  205    HA   GLN  35           HA       GLN  35  -1.791  -9.629  -1.268
  206   1HB   GLN  35          1HB       GLN  35   0.476 -10.206  -0.042
  207   2HB   GLN  35          2HB       GLN  35  -0.495 -10.161   1.416
  208   1HG   GLN  35          1HG       GLN  35  -2.124 -11.775   0.204
  209   2HG   GLN  35          2HG       GLN  35  -0.870 -11.975  -1.003
  210   1HE2  GLN  35          1HE2      GLN  35   1.330 -12.508  -0.161
  211   2HE2  GLN  35          2HE2      GLN  35   1.457 -13.649   1.135
  212    H    CYS  36           H        CYS  36  -2.742  -7.029  -0.102
  213    HA   CYS  36           HA       CYS  36  -4.435  -6.251   1.056
  214   1HB   CYS  36          1HB       CYS  36  -5.369  -9.066   1.611
  215   2HB   CYS  36          2HB       CYS  36  -6.324  -7.597   1.566
  216    H    LYS  37           H        LYS  37  -1.794  -7.115   2.269
  217    HA   LYS  37           HA       LYS  37  -2.678  -7.287   5.050
  218   1HB   LYS  37          1HB       LYS  37  -0.738  -9.156   3.672
  219   2HB   LYS  37          2HB       LYS  37  -0.769  -8.940   5.411
  220   1HG   LYS  37          1HG       LYS  37  -3.082  -9.700   5.549
  221   2HG   LYS  37          2HG       LYS  37  -3.256  -9.674   3.805
  222   1HD   LYS  37          1HD       LYS  37  -1.376 -11.424   3.698
  223   2HD   LYS  37          2HD       LYS  37  -1.492 -11.548   5.441
  224   1HE   LYS  37          1HE       LYS  37  -3.835 -12.268   5.299
  225   2HE   LYS  37          2HE       LYS  37  -3.874 -11.958   3.575
  226   1HZ   LYS  37          1HZ       LYS  37  -2.177 -13.701   3.290
  227   2HZ   LYS  37          2HZ       LYS  37  -2.158 -13.996   4.893
  228    H    PHE  38           H        PHE  38  -0.799  -6.747   6.573
  229    HA   PHE  38           HA       PHE  38   0.488  -4.402   5.560
  230   1HB   PHE  38          1HB       PHE  38   0.338  -6.001   8.163
  231   2HB   PHE  38          2HB       PHE  38   1.495  -4.691   8.029
  232    HD1  PHE  38           HD1      PHE  38  -2.046  -5.014   6.881
  233    HD2  PHE  38           HD2      PHE  38   0.745  -2.913   9.289
  234    HE1  PHE  38           HE1      PHE  38  -3.833  -3.371   7.519
  235    HE2  PHE  38           HE2      PHE  38  -1.041  -1.270   9.927
  236    HZ   PHE  38           HZ       PHE  38  -3.309  -1.518   9.034
  237    H    SER  39           H        SER  39   2.572  -4.173   4.844
  238    HA   SER  39           HA       SER  39   4.002  -6.573   4.387
  239   1HB   SER  39          1HB       SER  39   3.999  -4.806   2.701
  240   2HB   SER  39          2HB       SER  39   4.649  -3.646   3.842
  241    HG   SER  39           HG       SER  39   5.956  -5.716   2.420
  242    H    ARG  40           H        ARG  40   6.731  -5.754   4.671
  243    HA   ARG  40           HA       ARG  40   6.751  -6.223   7.534
  244   1HB   ARG  40          1HB       ARG  40   9.008  -7.332   7.021
  245   2HB   ARG  40          2HB       ARG  40   7.611  -8.125   6.320
  246   1HG   ARG  40          1HG       ARG  40   8.082  -7.317   4.133
  247   2HG   ARG  40          2HG       ARG  40   9.094  -6.014   4.725
  248   1HD   ARG  40          1HD       ARG  40  10.787  -7.712   5.505
  249   2HD   ARG  40          2HD       ARG  40   9.784  -8.991   4.848
  250    HE   ARG  40           HE       ARG  40  10.519  -8.433   2.695
  251   1HH1  ARG  40          2HH2      ARG  40  11.338  -5.793   4.911
  252   2HH1  ARG  40          1HH2      ARG  40  12.208  -4.893   3.714
  253   1HH2  ARG  40          1HH1      ARG  40  12.377  -5.759   1.485
  254    H    ALA  41           H        ALA  41   8.391  -5.202   8.876
  255    HA   ALA  41           HA       ALA  41   8.867  -2.541   8.170
  256   1HB   ALA  41          1HB       ALA  41  10.173  -4.244  10.329
  257   2HB   ALA  41          2HB       ALA  41  10.093  -2.467  10.289
  258   3HB   ALA  41          3HB       ALA  41   8.603  -3.420  10.482
  259    H    GLY  42           H        GLY  42  10.219  -1.875   6.575
  260   1HA   GLY  42          1HA       GLY  42  12.790  -1.748   6.413
  261   2HA   GLY  42          2HA       GLY  42  12.648  -3.461   6.073
  262    H    LYS  43           H        LYS  43  10.027  -3.221   4.656
  263    HA   LYS  43           HA       LYS  43  11.120  -2.929   2.091
  264   1HB   LYS  43          1HB       LYS  43   9.238  -4.447   2.777
  265   2HB   LYS  43          2HB       LYS  43   8.195  -3.042   2.877
  266   1HG   LYS  43          1HG       LYS  43   9.769  -3.343   0.340
  267   2HG   LYS  43          2HG       LYS  43   8.497  -4.519   0.604
  268   1HD   LYS  43          1HD       LYS  43   7.934  -1.561   0.991
  269   2HD   LYS  43          2HD       LYS  43   7.930  -2.251  -0.621
  270   1HE   LYS  43          1HE       LYS  43   6.299  -4.041   0.311
  271   2HE   LYS  43          2HE       LYS  43   6.150  -3.024   1.729
  272   1HZ   LYS  43          1HZ       LYS  43   4.449  -2.549   0.010
  273   2HZ   LYS  43          2HZ       LYS  43   5.346  -1.229   0.334
  274    H    ILE  44           H        ILE  44  11.475  -1.152   0.877
  275    HA   ILE  44           HA       ILE  44  10.945   1.397   1.872
  276    HB   ILE  44           HB       ILE  44  11.945   0.223  -0.667
  277   1HG1  ILE  44          1HG1      ILE  44  13.745   2.002  -0.121
  278   2HG1  ILE  44          2HG1      ILE  44  12.948   2.141   1.434
  279   1HG2  ILE  44          1HG2      ILE  44  10.517   1.819  -1.656
  280   2HG2  ILE  44          2HG2      ILE  44  10.888   3.043  -0.418
  281   3HG2  ILE  44          3HG2      ILE  44  12.128   2.574  -1.607
  282   1HD1  ILE  44          1HD1      ILE  44  14.854   0.471   1.387
  283   2HD1  ILE  44          2HD1      ILE  44  13.302  -0.218   1.920
  284   3HD1  ILE  44          3HD1      ILE  44  13.887  -0.517   0.266
  285    H    CYS  45           H        CYS  45   9.055   2.465   2.056
  286    HA   CYS  45           HA       CYS  45   6.855   1.466   0.417
  287   1HB   CYS  45          1HB       CYS  45   5.412   2.587   2.124
  288   2HB   CYS  45          2HB       CYS  45   6.351   1.224   2.702
  289    H    ARG  46           H        ARG  46   9.047   4.125   0.970
  290    HA   ARG  46           HA       ARG  46   7.579   5.548  -1.085
  291   1HB   ARG  46          1HB       ARG  46   7.482   6.536   1.401
  292   2HB   ARG  46          2HB       ARG  46   9.091   7.117   1.022
  293   1HG   ARG  46          1HG       ARG  46   7.936   7.992  -1.214
  294   2HG   ARG  46          2HG       ARG  46   6.459   7.846  -0.284
  295   1HD   ARG  46          1HD       ARG  46   8.889   9.571   0.355
  296   2HD   ARG  46          2HD       ARG  46   7.253  10.110   0.028
  297    HE   ARG  46           HE       ARG  46   8.281   9.221   2.580
  298   1HH1  ARG  46          2HH2      ARG  46   5.344   9.802   0.731
  299   2HH1  ARG  46          1HH2      ARG  46   4.279   9.390   2.032
  300   1HH2  ARG  46          1HH1      ARG  46   5.205   8.642   4.113
  301    H    ILE  47           H        ILE  47   8.911   6.142  -2.811
  302    HA   ILE  47           HA       ILE  47  11.742   5.697  -2.576
  303    HB   ILE  47           HB       ILE  47   9.942   6.630  -4.807
  304   1HG1  ILE  47          1HG1      ILE  47  11.261   4.293  -5.536
  305   2HG1  ILE  47          2HG1      ILE  47  10.896   4.038  -3.841
  306   1HG2  ILE  47          1HG2      ILE  47  11.862   6.521  -6.296
  307   2HG2  ILE  47          2HG2      ILE  47  12.133   7.726  -5.014
  308   3HG2  ILE  47          3HG2      ILE  47  12.931   6.138  -4.925
  309   1HD1  ILE  47          1HD1      ILE  47   8.518   4.564  -4.227
  310   2HD1  ILE  47          2HD1      ILE  47   8.861   4.944  -5.932
  311   3HD1  ILE  47          3HD1      ILE  47   9.042   3.276  -5.336
  312    HA   PRO  48           HA       PRO  48  12.637   9.857  -1.559
  313   1HB   PRO  48          1HB       PRO  48  15.362   9.693  -1.700
  314   2HB   PRO  48          2HB       PRO  48  14.449   9.259  -0.268
  315   1HG   PRO  48          1HG       PRO  48  15.750   7.487  -2.244
  316   2HG   PRO  48          2HG       PRO  48  15.214   7.111  -0.619
  317   1HD   PRO  48          1HD       PRO  48  13.900   6.400  -3.067
  318   2HD   PRO  48          2HD       PRO  48  13.306   6.127  -1.441
  319    H    ARG  49           H        ARG  49  13.225  11.858  -2.534
  320    HA   ARG  49           HA       ARG  49  13.225  11.363  -5.403
  321   1HB   ARG  49          1HB       ARG  49  11.585  13.285  -5.577
  322   2HB   ARG  49          2HB       ARG  49  10.943  11.901  -4.715
  323   1HG   ARG  49          1HG       ARG  49  11.286  12.957  -2.562
  324   2HG   ARG  49          2HG       ARG  49  12.278  14.223  -3.260
  325   1HD   ARG  49          1HD       ARG  49  10.286  15.051  -4.555
  326   2HD   ARG  49          2HD       ARG  49   9.301  13.802  -3.820
  327    HE   ARG  49           HE       ARG  49   9.269  15.018  -1.806
  328   1HH1  ARG  49          2HH2      ARG  49  11.804  16.326  -3.906
  329   2HH1  ARG  49          1HH2      ARG  49  12.026  17.757  -2.956
  330   1HH2  ARG  49          1HH1      ARG  49  10.724  18.058  -0.967
  331    H    GLY  50           H        GLY  50  15.476  12.099  -3.590
  332   1HA   GLY  50          1HA       GLY  50  16.887  13.856  -5.065
  333   2HA   GLY  50          2HA       GLY  50  15.969  14.918  -4.017
  334    H    ASP  51           H        ASP  51  16.468  15.066  -1.782
  335    HA   ASP  51           HA       ASP  51  19.127  14.006  -1.315
  336   1HB   ASP  51          1HB       ASP  51  19.182  15.847   0.462
  337   2HB   ASP  51          2HB       ASP  51  19.087  16.399  -1.199
  338    H    MET  52           H        MET  52  16.096  13.003  -0.735
  339    HA   MET  52           HA       MET  52  16.149  12.939   2.136
  340   1HB   MET  52          1HB       MET  52  14.179  11.992  -0.011
  341   2HB   MET  52          2HB       MET  52  13.896  11.701   1.693
  342   1HG   MET  52          1HG       MET  52  12.790  13.728   1.523
  343   2HG   MET  52          2HG       MET  52  14.393  14.352   1.855
  344   1HE   MET  52          1HE       MET  52  14.149  16.629   0.771
  345   2HE   MET  52          2HE       MET  52  13.367  16.922  -0.801
  346   3HE   MET  52          3HE       MET  52  12.420  16.263   0.555
  347    HA   PRO  53           HA       PRO  53  17.138   8.595   2.304
  348   1HB   PRO  53          1HB       PRO  53  16.070   7.972   4.740
  349   2HB   PRO  53          2HB       PRO  53  17.683   8.626   4.541
  350   1HG   PRO  53          1HG       PRO  53  15.240   9.982   5.506
  351   2HG   PRO  53          2HG       PRO  53  16.913  10.469   5.694
  352   1HD   PRO  53          1HD       PRO  53  15.003  11.569   3.858
  353   2HD   PRO  53          2HD       PRO  53  16.705  11.973   3.969
  354    H    ASP  54           H        ASP  54  16.195   6.500   2.059
  355    HA   ASP  54           HA       ASP  54  13.606   6.635   1.007
  356   1HB   ASP  54          1HB       ASP  54  13.768   4.115   1.050
  357   2HB   ASP  54          2HB       ASP  54  15.123   4.899   0.260
  358    H    ASP  55           H        ASP  55  11.632   6.479   2.118
  359    HA   ASP  55           HA       ASP  55  11.673   5.977   4.916
  360   1HB   ASP  55          1HB       ASP  55  10.085   7.566   3.714
  361   2HB   ASP  55          2HB       ASP  55   9.295   6.170   3.009
  362    H    ARG  56           H        ARG  56  11.050   4.010   5.941
  363    HA   ARG  56           HA       ARG  56  10.637   1.828   4.060
  364   1HB   ARG  56          1HB       ARG  56  12.020   1.859   6.788
  365   2HB   ARG  56          2HB       ARG  56  11.699   0.391   5.889
  366   1HG   ARG  56          1HG       ARG  56  13.124   1.105   4.048
  367   2HG   ARG  56          2HG       ARG  56  13.270   2.722   4.707
  368   1HD   ARG  56          1HD       ARG  56  14.415   1.733   6.746
  369   2HD   ARG  56          2HD       ARG  56  14.360   0.162   5.973
  370    HE   ARG  56           HE       ARG  56  15.547   1.849   4.077
  371   1HH1  ARG  56          2HH2      ARG  56  16.302   0.643   7.319
  372   2HH1  ARG  56          1HH2      ARG  56  17.999   0.959   7.179
  373   1HH2  ARG  56          1HH1      ARG  56  18.855   1.886   5.141
  374    H    CYS  57           H        CYS  57   9.203   0.046   4.773
  375    HA   CYS  57           HA       CYS  57   6.861   0.823   5.927
  376   1HB   CYS  57          1HB       CYS  57   8.169  -1.784   5.376
  377   2HB   CYS  57          2HB       CYS  57   6.830  -1.806   6.506
  378    H    THR  58           H        THR  58   6.047   0.872   8.068
  379    HA   THR  58           HA       THR  58   7.974   0.644  10.207
  380    HB   THR  58           HB       THR  58   5.524   1.072  11.375
  381    HG1  THR  58           HG1      THR  58   4.215   2.055   9.772
  382   1HG2  THR  58          1HG2      THR  58   7.422   2.695  11.482
  383   2HG2  THR  58          2HG2      THR  58   7.121   3.151   9.788
  384   3HG2  THR  58          3HG2      THR  58   5.910   3.522  11.038
  385    H    GLY  59           H        GLY  59   5.417  -1.319   8.717
  386   1HA   GLY  59          1HA       GLY  59   4.918  -3.510   9.106
  387   2HA   GLY  59          2HA       GLY  59   6.070  -3.556  10.425
  388    H    GLN  60           H        GLN  60   4.069  -0.782  10.695
  389    HA   GLN  60           HA       GLN  60   2.118  -2.249  12.271
  390   1HB   GLN  60          1HB       GLN  60   3.906   0.012  13.207
  391   2HB   GLN  60          2HB       GLN  60   2.332  -0.226  13.941
  392   1HG   GLN  60          1HG       GLN  60   2.953  -2.616  14.442
  393   2HG   GLN  60          2HG       GLN  60   4.543  -2.329  13.762
  394   1HE2  GLN  60          1HE2      GLN  60   2.274  -1.378  16.282
  395   2HE2  GLN  60          2HE2      GLN  60   3.428  -0.791  17.432
  396    H    SER  61           H        SER  61   2.263  -0.823   9.556
  397    HA   SER  61           HA       SER  61  -0.126   0.660   9.839
  398   1HB   SER  61          1HB       SER  61   0.725   2.837   9.077
  399   2HB   SER  61          2HB       SER  61   1.490   2.384  10.587
  400    HG   SER  61           HG       SER  61   2.599   2.588   7.981
  401    H    ALA  62           H        ALA  62  -1.221   0.710   7.845
  402    HA   ALA  62           HA       ALA  62  -0.047  -0.826   5.742
  403   1HB   ALA  62          1HB       ALA  62  -2.681   0.669   6.032
  404   2HB   ALA  62          2HB       ALA  62  -2.262  -0.368   4.649
  405   3HB   ALA  62          3HB       ALA  62  -2.402  -1.071   6.278
  406    H    ASP  63           H        ASP  63  -0.203   2.546   6.652
  407    HA   ASP  63           HA       ASP  63   0.324   3.323   3.906
  408   1HB   ASP  63          1HB       ASP  63  -1.471   4.562   5.039
  409   2HB   ASP  63          2HB       ASP  63  -0.423   4.921   6.397
  410    H    CYS  64           H        CYS  64   2.198   4.796   3.502
  411    HA   CYS  64           HA       CYS  64   4.420   4.230   5.198
  412   1HB   CYS  64          1HB       CYS  64   4.331   4.550   2.612
  413   2HB   CYS  64          2HB       CYS  64   4.445   6.259   2.984
  414    HA   PRO  65           HA       PRO  65   3.729   7.774   7.677
  415   1HB   PRO  65          1HB       PRO  65   5.951   7.598   9.257
  416   2HB   PRO  65          2HB       PRO  65   4.483   6.692   9.564
  417   1HG   PRO  65          1HG       PRO  65   7.049   5.738   8.452
  418   2HG   PRO  65          2HG       PRO  65   5.743   4.805   9.155
  419   1HD   PRO  65          1HD       PRO  65   6.345   5.083   6.364
  420   2HD   PRO  65          2HD       PRO  65   4.973   4.247   7.062
  421    H    ARG  66           H        ARG  66   7.229   7.716   7.523
  422    HA   ARG  66           HA       ARG  66   7.362   9.725   5.599
  423   1HB   ARG  66          1HB       ARG  66   6.406  11.128   7.426
  424   2HB   ARG  66          2HB       ARG  66   7.693  10.629   8.505
  425   1HG   ARG  66          1HG       ARG  66   8.697  11.712   5.938
  426   2HG   ARG  66          2HG       ARG  66   7.742  12.873   6.840
  427   1HD   ARG  66          1HD       ARG  66   9.163  12.547   8.841
  428   2HD   ARG  66          2HD       ARG  66  10.067  11.283   8.031
  429    HE   ARG  66           HE       ARG  66  10.113  13.707   6.456
  430   1HH1  ARG  66          2HH2      ARG  66  11.490  12.331   9.415
  431   2HH1  ARG  66          1HH2      ARG  66  12.970  13.220   9.289
  432   1HH2  ARG  66          1HH1      ARG  66  13.270  14.746   7.465
  433    H    TYR  67           H        TYR  67   8.954   8.801   8.767
  434    HA   TYR  67           HA       TYR  67  10.739   7.142   7.298
  435   1HB   TYR  67          1HB       TYR  67  11.815   9.417   7.072
  436   2HB   TYR  67          2HB       TYR  67  11.682   9.662   8.802
  437    HD1  TYR  67           HD1      TYR  67  13.444   9.039  10.226
  438    HD2  TYR  67           HD2      TYR  67  13.284   7.429   6.266
  439    HE1  TYR  67           HE1      TYR  67  15.750   8.017  10.540
  440    HE2  TYR  67           HE2      TYR  67  15.590   6.413   6.593
  441    HH   TYR  67           HH       TYR  67  17.286   6.189   7.905
  442    H    HIS  68           H        HIS  68  11.856   5.644   8.673
  443    HA   HIS  68           HA       HIS  68  12.008   4.328  10.422
  444   1HB   HIS  68          1HB       HIS  68  13.215   6.411  11.238
  445   2HB   HIS  68          2HB       HIS  68  11.767   6.805  12.143
  446    HD1  HIS  68           HD1      HIS  68  14.340   3.985  11.878
  447    HD2  HIS  68           HD2      HIS  68  11.603   5.606  14.612
  448    HE1  HIS  68           HE1      HIS  68  14.731   2.768  14.087
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1 -23.407   5.238   6.350
    2   2H    GLY   1          2H        GLY   1 -23.492   6.192   4.999
    3   3H    GLY   1          3H        GLY   1 -24.869   5.828   5.844
    4   1HA   GLY   1          1HA       GLY   1 -25.096   3.808   4.988
    5   2HA   GLY   1          2HA       GLY   1 -24.244   4.587   3.670
    6    H    LYS   2           H        LYS   2 -23.723   2.123   3.372
    7    HA   LYS   2           HA       LYS   2 -21.910   0.863   5.058
    8   1HB   LYS   2          1HB       LYS   2 -21.518  -0.634   3.212
    9   2HB   LYS   2          2HB       LYS   2 -23.223  -0.239   3.280
   10   1HG   LYS   2          1HG       LYS   2 -23.008   0.261   1.063
   11   2HG   LYS   2          2HG       LYS   2 -22.290   1.761   1.616
   12   1HD   LYS   2          1HD       LYS   2 -20.020   0.662   1.563
   13   2HD   LYS   2          2HD       LYS   2 -20.762  -0.799   0.943
   14   1HE   LYS   2          1HE       LYS   2 -21.103   1.883  -0.463
   15   2HE   LYS   2          2HE       LYS   2 -19.729   0.845  -0.787
   16   1HZ   LYS   2          1HZ       LYS   2 -21.343  -0.943  -1.352
   17   2HZ   LYS   2          2HZ       LYS   2 -22.581   0.098  -1.155
   18    H    GLU   3           H        GLU   3 -19.619   0.687   5.045
   19    HA   GLU   3           HA       GLU   3 -18.389   3.014   3.791
   20   1HB   GLU   3          1HB       GLU   3 -17.335   1.511   6.219
   21   2HB   GLU   3          2HB       GLU   3 -16.817   3.078   5.630
   22   1HG   GLU   3          1HG       GLU   3 -18.252   3.684   7.389
   23   2HG   GLU   3          2HG       GLU   3 -19.320   3.800   6.005
   24    H    CYS   4           H        CYS   4 -15.899   2.656   3.407
   25    HA   CYS   4           HA       CYS   4 -15.633  -0.014   2.229
   26   1HB   CYS   4          1HB       CYS   4 -14.514   2.617   1.238
   27   2HB   CYS   4          2HB       CYS   4 -14.145   1.047   0.553
   28    H    ASP   5           H        ASP   5 -14.023  -1.231   3.214
   29    HA   ASP   5           HA       ASP   5 -11.993  -0.026   4.744
   30   1HB   ASP   5          1HB       ASP   5 -12.380  -2.776   3.501
   31   2HB   ASP   5          2HB       ASP   5 -10.902  -2.376   4.352
   32    H    CYS   6           H        CYS   6 -12.595  -0.625   1.336
   33    HA   CYS   6           HA       CYS   6  -9.767  -0.263   0.708
   34   1HB   CYS   6          1HB       CYS   6 -12.052  -1.169  -1.057
   35   2HB   CYS   6          2HB       CYS   6 -10.385  -0.986  -1.567
   36    H    SER   7           H        SER   7  -9.556   1.128  -1.494
   37    HA   SER   7           HA       SER   7 -11.105   3.519  -1.134
   38   1HB   SER   7          1HB       SER   7  -9.011   2.901  -3.263
   39   2HB   SER   7          2HB       SER   7  -9.621   4.486  -2.827
   40    HG   SER   7           HG       SER   7  -8.670   4.234  -0.712
   41    H    SER   8           H        SER   8 -11.209   0.555  -2.943
   42    HA   SER   8           HA       SER   8 -13.126   1.746  -4.772
   43   1HB   SER   8          1HB       SER   8 -10.839  -0.102  -5.592
   44   2HB   SER   8          2HB       SER   8 -12.128   0.428  -6.655
   45    HG   SER   8           HG       SER   8 -10.237   1.748  -6.917
   46    HA   PRO   9           HA       PRO   9 -15.136  -2.148  -4.050
   47   1HB   PRO   9          1HB       PRO   9 -17.020  -2.033  -6.028
   48   2HB   PRO   9          2HB       PRO   9 -17.240  -1.302  -4.450
   49   1HG   PRO   9          1HG       PRO   9 -16.636   0.005  -7.033
   50   2HG   PRO   9          2HG       PRO   9 -17.270   0.719  -5.563
   51   1HD   PRO   9          1HD       PRO   9 -14.579   0.903  -6.538
   52   2HD   PRO   9          2HD       PRO   9 -15.185   1.518  -5.013
   53    H    GLU  10           H        GLU  10 -13.729  -1.165  -7.032
   54    HA   GLU  10           HA       GLU  10 -13.821  -3.693  -8.222
   55   1HB   GLU  10          1HB       GLU  10 -12.207  -1.175  -8.633
   56   2HB   GLU  10          2HB       GLU  10 -11.711  -2.636  -9.463
   57   1HG   GLU  10          1HG       GLU  10 -13.207  -1.496 -10.963
   58   2HG   GLU  10          2HG       GLU  10 -14.106  -2.860 -10.328
   59    H    ASN  11           H        ASN  11 -11.926  -2.325  -5.622
   60    HA   ASN  11           HA       ASN  11  -9.613  -3.769  -5.848
   61   1HB   ASN  11          1HB       ASN  11 -10.326  -1.926  -4.125
   62   2HB   ASN  11          2HB       ASN  11 -11.012  -3.238  -3.187
   63   1HD2  ASN  11          1HD2      ASN  11  -8.584  -1.323  -3.059
   64   2HD2  ASN  11          2HD2      ASN  11  -7.265  -2.334  -2.572
   65    HA   PRO  12           HA       PRO  12 -11.412  -7.743  -5.222
   66   1HB   PRO  12          1HB       PRO  12  -9.174  -9.256  -5.639
   67   2HB   PRO  12          2HB       PRO  12 -10.182  -8.657  -6.941
   68   1HG   PRO  12          1HG       PRO  12  -7.530  -7.696  -6.059
   69   2HG   PRO  12          2HG       PRO  12  -8.350  -7.412  -7.582
   70   1HD   PRO  12          1HD       PRO  12  -8.089  -5.566  -5.402
   71   2HD   PRO  12          2HD       PRO  12  -9.006  -5.325  -6.876
   72    H    CYS  13           H        CYS  13  -9.184  -6.227  -3.255
   73    HA   CYS  13           HA       CYS  13  -9.028  -8.301  -1.324
   74   1HB   CYS  13          1HB       CYS  13  -8.587  -5.321  -1.035
   75   2HB   CYS  13          2HB       CYS  13  -8.183  -6.532   0.166
   76    H    CYS  14           H        CYS  14 -11.431  -6.027  -2.409
   77    HA   CYS  14           HA       CYS  14 -12.900  -6.370   0.103
   78   1HB   CYS  14          1HB       CYS  14 -12.737  -4.086  -1.828
   79   2HB   CYS  14          2HB       CYS  14 -14.214  -4.334  -0.917
   80    H    ASP  15           H        ASP  15 -15.108  -7.139  -0.080
   81    HA   ASP  15           HA       ASP  15 -16.024  -8.186  -2.492
   82   1HB   ASP  15          1HB       ASP  15 -16.970  -8.815  -0.299
   83   2HB   ASP  15          2HB       ASP  15 -17.512  -7.171  -0.026
   84    H    ALA  16           H        ALA  16 -17.599  -7.246  -4.011
   85    HA   ALA  16           HA       ALA  16 -16.899  -4.555  -4.533
   86   1HB   ALA  16          1HB       ALA  16 -18.925  -6.416  -5.842
   87   2HB   ALA  16          2HB       ALA  16 -18.330  -4.886  -6.528
   88   3HB   ALA  16          3HB       ALA  16 -17.210  -6.249  -6.292
   89    H    ALA  17           H        ALA  17 -19.653  -6.200  -2.990
   90    HA   ALA  17           HA       ALA  17 -21.417  -3.980  -3.510
   91   1HB   ALA  17          1HB       ALA  17 -23.097  -5.419  -2.485
   92   2HB   ALA  17          2HB       ALA  17 -22.131  -6.374  -3.634
   93   3HB   ALA  17          3HB       ALA  17 -21.835  -6.521  -1.885
   94    H    THR  18           H        THR  18 -19.917  -5.620  -0.639
   95    HA   THR  18           HA       THR  18 -20.994  -3.537   1.076
   96    HB   THR  18           HB       THR  18 -19.947  -5.084   2.840
   97    HG1  THR  18           HG1      THR  18 -19.069  -7.043   1.924
   98   1HG2  THR  18          1HG2      THR  18 -21.534  -6.927   2.531
   99   2HG2  THR  18          2HG2      THR  18 -22.341  -5.425   2.020
  100   3HG2  THR  18          3HG2      THR  18 -21.696  -6.549   0.800
  101    H    CYS  19           H        CYS  19 -18.062  -4.258  -0.675
  102    HA   CYS  19           HA       CYS  19 -16.438  -2.841  -1.123
  103   1HB   CYS  19          1HB       CYS  19 -18.316  -1.102  -0.590
  104   2HB   CYS  19          2HB       CYS  19 -17.396  -0.816   0.873
  105    H    LYS  20           H        LYS  20 -16.525  -4.863   1.136
  106    HA   LYS  20           HA       LYS  20 -14.564  -3.642   2.942
  107   1HB   LYS  20          1HB       LYS  20 -17.217  -4.070   3.619
  108   2HB   LYS  20          2HB       LYS  20 -16.422  -5.502   4.241
  109   1HG   LYS  20          1HG       LYS  20 -14.886  -4.196   5.576
  110   2HG   LYS  20          2HG       LYS  20 -15.312  -2.712   4.748
  111   1HD   LYS  20          1HD       LYS  20 -17.480  -4.254   6.192
  112   2HD   LYS  20          2HD       LYS  20 -16.362  -3.285   7.131
  113   1HE   LYS  20          1HE       LYS  20 -16.927  -1.289   5.689
  114   2HE   LYS  20          2HE       LYS  20 -18.097  -2.270   4.828
  115   1HZ   LYS  20          1HZ       LYS  20 -18.196  -1.801   7.760
  116   2HZ   LYS  20          2HZ       LYS  20 -19.084  -0.969   6.678
  117    H    LEU  21           H        LEU  21 -13.342  -5.396   4.227
  118    HA   LEU  21           HA       LEU  21 -11.970  -6.578   2.132
  119   1HB   LEU  21          1HB       LEU  21 -11.785  -6.961   5.121
  120   2HB   LEU  21          2HB       LEU  21 -10.647  -7.654   3.982
  121    HG   LEU  21           HG       LEU  21 -11.183  -4.682   4.168
  122   1HD1  LEU  21          1HD1      LEU  21 -10.382  -5.463   6.337
  123   2HD1  LEU  21          2HD1      LEU  21  -9.007  -6.275   5.551
  124   3HD1  LEU  21          3HD1      LEU  21  -9.138  -4.500   5.504
  125   1HD2  LEU  21          1HD2      LEU  21  -8.995  -6.313   2.858
  126   2HD2  LEU  21          2HD2      LEU  21 -10.219  -5.295   2.063
  127   3HD2  LEU  21          3HD2      LEU  21  -8.948  -4.545   3.059
  128    H    ARG  22           H        ARG  22 -12.196  -8.461   1.046
  129    HA   ARG  22           HA       ARG  22 -14.314 -10.162   1.725
  130   1HB   ARG  22          1HB       ARG  22 -12.535  -9.750  -0.499
  131   2HB   ARG  22          2HB       ARG  22 -12.420 -11.445  -0.069
  132   1HG   ARG  22          1HG       ARG  22 -14.663 -11.878  -0.565
  133   2HG   ARG  22          2HG       ARG  22 -15.179 -10.247  -0.184
  134   1HD   ARG  22          1HD       ARG  22 -15.290 -10.685  -2.635
  135   2HD   ARG  22          2HD       ARG  22 -14.166  -9.391  -2.271
  136    HE   ARG  22           HE       ARG  22 -12.676 -11.808  -2.254
  137   1HH1  ARG  22          2HH2      ARG  22 -14.347  -9.690  -4.549
  138   2HH1  ARG  22          1HH2      ARG  22 -13.482 -10.288  -5.925
  139   1HH2  ARG  22          1HH1      ARG  22 -11.804 -11.971  -5.614
  140    HA   PRO  23           HA       PRO  23 -10.863 -13.222   2.721
  141   1HB   PRO  23          1HB       PRO  23  -8.233 -12.479   2.714
  142   2HB   PRO  23          2HB       PRO  23  -9.040 -13.161   1.315
  143   1HG   PRO  23          1HG       PRO  23  -8.266 -10.354   1.825
  144   2HG   PRO  23          2HG       PRO  23  -8.673 -11.121   0.302
  145   1HD   PRO  23          1HD       PRO  23 -10.347  -9.377   1.847
  146   2HD   PRO  23          2HD       PRO  23 -10.793 -10.236   0.385
  147    H    GLY  24           H        GLY  24  -9.054 -13.769   4.540
  148   1HA   GLY  24          1HA       GLY  24  -9.501 -12.080   6.822
  149   2HA   GLY  24          2HA       GLY  24  -8.348 -13.389   6.663
  150    H    ALA  25           H        ALA  25  -8.963 -10.041   5.375
  151    HA   ALA  25           HA       ALA  25  -6.082  -9.815   4.922
  152   1HB   ALA  25          1HB       ALA  25  -8.553  -8.804   3.635
  153   2HB   ALA  25          2HB       ALA  25  -7.241  -7.608   3.774
  154   3HB   ALA  25          3HB       ALA  25  -6.954  -9.150   2.932
  155    H    GLN  26           H        GLN  26  -5.161  -7.534   5.339
  156    HA   GLN  26           HA       GLN  26  -6.269  -6.565   7.841
  157   1HB   GLN  26          1HB       GLN  26  -3.569  -6.075   6.510
  158   2HB   GLN  26          2HB       GLN  26  -4.066  -5.333   8.017
  159   1HG   GLN  26          1HG       GLN  26  -4.305  -7.546   9.084
  160   2HG   GLN  26          2HG       GLN  26  -3.966  -8.353   7.566
  161   1HE2  GLN  26          1HE2      GLN  26  -2.699  -6.849  10.351
  162   2HE2  GLN  26          2HE2      GLN  26  -1.008  -6.984  10.003
  163    H    CYS  27           H        CYS  27  -5.237  -5.517   4.541
  164    HA   CYS  27           HA       CYS  27  -6.854  -3.125   4.903
  165   1HB   CYS  27          1HB       CYS  27  -5.053  -1.746   3.872
  166   2HB   CYS  27          2HB       CYS  27  -4.730  -2.292   5.505
  167    H    GLY  28           H        GLY  28  -7.139  -2.018   2.655
  168   1HA   GLY  28          1HA       GLY  28  -7.085  -4.067   0.527
  169   2HA   GLY  28          2HA       GLY  28  -8.212  -2.730   0.631
  170    H    GLU  29           H        GLU  29  -6.346  -0.635   1.393
  171    HA   GLU  29           HA       GLU  29  -4.785  -0.513  -1.063
  172   1HB   GLU  29          1HB       GLU  29  -7.100   1.126  -0.276
  173   2HB   GLU  29          2HB       GLU  29  -5.694   2.108  -0.639
  174   1HG   GLU  29          1HG       GLU  29  -6.460  -0.144  -2.517
  175   2HG   GLU  29          2HG       GLU  29  -7.342   1.367  -2.586
  176    H    GLY  30           H        GLY  30  -3.248   1.526  -0.978
  177   1HA   GLY  30          1HA       GLY  30  -2.099   2.955   0.689
  178   2HA   GLY  30          2HA       GLY  30  -2.092   1.560   1.748
  179    H    LEU  31           H        LEU  31   0.247   3.042   0.746
  180    HA   LEU  31           HA       LEU  31   1.321   1.661  -1.488
  181   1HB   LEU  31          1HB       LEU  31   2.486   3.581   0.526
  182   2HB   LEU  31          2HB       LEU  31   3.410   2.908  -0.803
  183    HG   LEU  31           HG       LEU  31   0.833   4.396  -1.297
  184   1HD1  LEU  31          1HD1      LEU  31   3.596   5.604  -0.999
  185   2HD1  LEU  31          2HD1      LEU  31   2.173   6.441  -1.665
  186   3HD1  LEU  31          3HD1      LEU  31   2.176   5.904   0.033
  187   1HD2  LEU  31          1HD2      LEU  31   1.657   3.106  -3.164
  188   2HD2  LEU  31          2HD2      LEU  31   1.894   4.840  -3.492
  189   3HD2  LEU  31          3HD2      LEU  31   3.274   3.830  -3.000
  190    H    CYS  32           H        CYS  32   1.262   1.161   2.005
  191    HA   CYS  32           HA       CYS  32   3.421  -0.780   1.765
  192   1HB   CYS  32          1HB       CYS  32   2.172   0.671   4.080
  193   2HB   CYS  32          2HB       CYS  32   3.054  -0.820   4.346
  194    H    CYS  33           H        CYS  33   0.282  -0.747   1.024
  195    HA   CYS  33           HA       CYS  33  -0.490  -3.078   2.575
  196   1HB   CYS  33          1HB       CYS  33  -2.042  -1.129   2.252
  197   2HB   CYS  33          2HB       CYS  33  -2.116  -1.533   0.548
  198    H    GLU  34           H        GLU  34   0.598  -4.866   1.720
  199    HA   GLU  34           HA       GLU  34   0.261  -5.231  -1.156
  200   1HB   GLU  34          1HB       GLU  34   2.611  -5.766   0.654
  201   2HB   GLU  34          2HB       GLU  34   2.365  -6.829  -0.717
  202   1HG   GLU  34          1HG       GLU  34   3.819  -5.036  -1.453
  203   2HG   GLU  34          2HG       GLU  34   2.262  -4.791  -2.220
  204    H    GLN  35           H        GLN  35  -0.664  -7.165  -1.849
  205    HA   GLN  35           HA       GLN  35  -1.918  -8.931  -1.706
  206   1HB   GLN  35          1HB       GLN  35   0.401  -9.783  -0.755
  207   2HB   GLN  35          2HB       GLN  35  -0.465  -9.904   0.764
  208   1HG   GLN  35          1HG       GLN  35  -2.187 -11.352  -0.327
  209   2HG   GLN  35          2HG       GLN  35  -1.336 -11.221  -1.853
  210   1HE2  GLN  35          1HE2      GLN  35  -1.496 -12.706   1.235
  211   2HE2  GLN  35          2HE2      GLN  35  -0.167 -13.805   1.082
  212    H    CYS  36           H        CYS  36  -2.780  -6.523  -0.298
  213    HA   CYS  36           HA       CYS  36  -4.537  -5.915   0.869
  214   1HB   CYS  36          1HB       CYS  36  -5.254  -8.794   1.399
  215   2HB   CYS  36          2HB       CYS  36  -6.313  -7.399   1.351
  216    H    LYS  37           H        LYS  37  -1.814  -6.627   2.030
  217    HA   LYS  37           HA       LYS  37  -2.617  -6.799   4.820
  218   1HB   LYS  37          1HB       LYS  37  -0.890  -8.824   3.397
  219   2HB   LYS  37          2HB       LYS  37  -0.715  -8.526   5.115
  220   1HG   LYS  37          1HG       LYS  37  -3.231  -8.929   5.353
  221   2HG   LYS  37          2HG       LYS  37  -3.251  -9.423   3.672
  222   1HD   LYS  37          1HD       LYS  37  -1.419 -10.705   5.747
  223   2HD   LYS  37          2HD       LYS  37  -3.022 -11.316   5.391
  224   1HE   LYS  37          1HE       LYS  37  -0.775 -10.997   3.343
  225   2HE   LYS  37          2HE       LYS  37  -1.244 -12.509   4.092
  226   1HZ   LYS  37          1HZ       LYS  37  -3.572 -11.925   3.149
  227   2HZ   LYS  37          2HZ       LYS  37  -2.782 -10.900   2.161
  228    H    PHE  38           H        PHE  38  -0.648  -6.344   6.271
  229    HA   PHE  38           HA       PHE  38   0.589  -4.000   5.203
  230   1HB   PHE  38          1HB       PHE  38   0.536  -5.587   7.815
  231   2HB   PHE  38          2HB       PHE  38   1.689  -4.279   7.637
  232    HD1  PHE  38           HD1      PHE  38  -1.931  -4.723   6.795
  233    HD2  PHE  38           HD2      PHE  38   1.025  -2.374   8.731
  234    HE1  PHE  38           HE1      PHE  38  -3.694  -3.077   7.487
  235    HE2  PHE  38           HE2      PHE  38  -0.738  -0.726   9.423
  236    HZ   PHE  38           HZ       PHE  38  -3.076  -1.098   8.792
  237    H    SER  39           H        SER  39   2.490  -3.938   4.108
  238    HA   SER  39           HA       SER  39   3.994  -6.232   3.724
  239   1HB   SER  39          1HB       SER  39   4.298  -4.723   2.000
  240   2HB   SER  39          2HB       SER  39   4.243  -3.328   3.058
  241    HG   SER  39           HG       SER  39   6.446  -4.966   2.330
  242    H    ARG  40           H        ARG  40   6.461  -6.358   4.220
  243    HA   ARG  40           HA       ARG  40   6.609  -6.486   6.983
  244   1HB   ARG  40          1HB       ARG  40   8.893  -7.316   6.618
  245   2HB   ARG  40          2HB       ARG  40   7.845  -7.987   5.385
  246   1HG   ARG  40          1HG       ARG  40   8.568  -6.092   3.839
  247   2HG   ARG  40          2HG       ARG  40   9.723  -5.600   5.062
  248   1HD   ARG  40          1HD       ARG  40  10.951  -7.001   3.542
  249   2HD   ARG  40          2HD       ARG  40  10.685  -7.981   4.970
  250    HE   ARG  40           HE       ARG  40   8.502  -8.368   3.140
  251   1HH1  ARG  40          2HH2      ARG  40  11.944  -9.145   3.462
  252   2HH1  ARG  40          1HH2      ARG  40  11.823 -10.620   2.562
  253   1HH2  ARG  40          1HH1      ARG  40   9.699 -11.277   1.667
  254    H    ALA  41           H        ALA  41   8.281  -5.420   8.408
  255    HA   ALA  41           HA       ALA  41   8.451  -2.633   7.973
  256   1HB   ALA  41          1HB       ALA  41   8.354  -3.778  10.197
  257   2HB   ALA  41          2HB       ALA  41   9.995  -4.405   9.909
  258   3HB   ALA  41          3HB       ALA  41   9.724  -2.652  10.051
  259    H    GLY  42           H        GLY  42  10.002  -1.413   6.965
  260   1HA   GLY  42          1HA       GLY  42  12.228  -0.875   6.545
  261   2HA   GLY  42          2HA       GLY  42  12.678  -2.564   6.666
  262    H    LYS  43           H        LYS  43   9.811  -2.488   4.891
  263    HA   LYS  43           HA       LYS  43  11.178  -2.732   2.381
  264   1HB   LYS  43          1HB       LYS  43   8.915  -3.833   3.405
  265   2HB   LYS  43          2HB       LYS  43   8.220  -2.529   2.461
  266   1HG   LYS  43          1HG       LYS  43  10.320  -4.406   1.301
  267   2HG   LYS  43          2HG       LYS  43   8.612  -4.789   1.251
  268   1HD   LYS  43          1HD       LYS  43   9.756  -2.176   0.165
  269   2HD   LYS  43          2HD       LYS  43   9.548  -3.607  -0.824
  270   1HE   LYS  43          1HE       LYS  43   7.377  -3.054  -1.161
  271   2HE   LYS  43          2HE       LYS  43   7.070  -3.229   0.555
  272   1HZ   LYS  43          1HZ       LYS  43   7.722  -0.914   0.872
  273   2HZ   LYS  43          2HZ       LYS  43   8.094  -0.740  -0.704
  274    H    ILE  44           H        ILE  44  11.854  -1.026   1.210
  275    HA   ILE  44           HA       ILE  44  11.151   1.592   1.897
  276    HB   ILE  44           HB       ILE  44  12.738   0.238  -0.203
  277   1HG1  ILE  44          1HG1      ILE  44  14.360   2.064   0.565
  278   2HG1  ILE  44          2HG1      ILE  44  13.188   2.450   1.808
  279   1HG2  ILE  44          1HG2      ILE  44  13.119   2.471  -1.332
  280   2HG2  ILE  44          2HG2      ILE  44  11.562   1.676  -1.669
  281   3HG2  ILE  44          3HG2      ILE  44  11.637   3.036  -0.522
  282   1HD1  ILE  44          1HD1      ILE  44  14.978   0.813   2.540
  283   2HD1  ILE  44          2HD1      ILE  44  13.318   0.207   2.746
  284   3HD1  ILE  44          3HD1      ILE  44  14.307  -0.355   1.377
  285    H    CYS  45           H        CYS  45   9.382   2.793   1.432
  286    HA   CYS  45           HA       CYS  45   7.518   1.556  -0.447
  287   1HB   CYS  45          1HB       CYS  45   5.809   2.954   0.765
  288   2HB   CYS  45          2HB       CYS  45   6.527   1.635   1.668
  289    H    ARG  46           H        ARG  46   9.630   4.264   0.162
  290    HA   ARG  46           HA       ARG  46   8.705   5.387  -2.327
  291   1HB   ARG  46          1HB       ARG  46   7.743   6.642  -0.222
  292   2HB   ARG  46          2HB       ARG  46   9.377   7.238  -0.005
  293   1HG   ARG  46          1HG       ARG  46   9.366   8.283  -2.220
  294   2HG   ARG  46          2HG       ARG  46   7.839   7.526  -2.626
  295   1HD   ARG  46          1HD       ARG  46   7.434   9.861  -1.980
  296   2HD   ARG  46          2HD       ARG  46   6.717   8.803  -0.782
  297    HE   ARG  46           HE       ARG  46   9.369  10.162  -0.412
  298   1HH1  ARG  46          2HH2      ARG  46   6.851   8.259   1.100
  299   2HH1  ARG  46          1HH2      ARG  46   6.875   9.133   2.595
  300   1HH2  ARG  46          1HH1      ARG  46   8.480  10.894   2.886
  301    H    ILE  47           H        ILE  47  10.413   6.446  -3.527
  302    HA   ILE  47           HA       ILE  47  13.061   5.753  -2.568
  303    HB   ILE  47           HB       ILE  47  12.041   6.775  -5.219
  304   1HG1  ILE  47          1HG1      ILE  47  13.162   4.259  -5.557
  305   2HG1  ILE  47          2HG1      ILE  47  12.320   4.114  -4.026
  306   1HG2  ILE  47          1HG2      ILE  47  14.239   6.448  -6.112
  307   2HG2  ILE  47          2HG2      ILE  47  14.367   7.523  -4.698
  308   3HG2  ILE  47          3HG2      ILE  47  14.834   5.811  -4.559
  309   1HD1  ILE  47          1HD1      ILE  47  10.853   3.555  -5.972
  310   2HD1  ILE  47          2HD1      ILE  47  10.231   4.941  -5.043
  311   3HD1  ILE  47          3HD1      ILE  47  11.071   5.210  -6.589
  312    HA   PRO  48           HA       PRO  48  13.860   9.864  -1.358
  313   1HB   PRO  48          1HB       PRO  48  16.531   9.609  -0.839
  314   2HB   PRO  48          2HB       PRO  48  15.285   9.185   0.319
  315   1HG   PRO  48          1HG       PRO  48  16.975   7.399  -1.324
  316   2HG   PRO  48          2HG       PRO  48  16.049   7.018   0.115
  317   1HD   PRO  48          1HD       PRO  48  15.348   6.389  -2.595
  318   2HD   PRO  48          2HD       PRO  48  14.369   6.112  -1.167
  319    H    ARG  49           H        ARG  49  14.182  11.765  -2.409
  320    HA   ARG  49           HA       ARG  49  15.836  11.574  -4.747
  321   1HB   ARG  49          1HB       ARG  49  13.788  12.964  -4.838
  322   2HB   ARG  49          2HB       ARG  49  14.339  13.923  -3.478
  323   1HG   ARG  49          1HG       ARG  49  16.124  14.910  -4.745
  324   2HG   ARG  49          2HG       ARG  49  16.016  13.697  -6.006
  325   1HD   ARG  49          1HD       ARG  49  13.750  14.560  -6.644
  326   2HD   ARG  49          2HD       ARG  49  13.858  15.773  -5.383
  327    HE   ARG  49           HE       ARG  49  15.362  17.009  -6.705
  328   1HH1  ARG  49          2HH2      ARG  49  15.041  13.747  -8.051
  329   2HH1  ARG  49          1HH2      ARG  49  15.829  14.149  -9.540
  330   1HH2  ARG  49          1HH1      ARG  49  16.656  16.374  -9.866
  331    H    GLY  50           H        GLY  50  17.950  11.156  -3.829
  332   1HA   GLY  50          1HA       GLY  50  20.018  11.990  -3.469
  333   2HA   GLY  50          2HA       GLY  50  19.342  13.605  -3.385
  334    H    ASP  51           H        ASP  51  18.269  14.282  -1.213
  335    HA   ASP  51           HA       ASP  51  20.600  13.613   0.369
  336   1HB   ASP  51          1HB       ASP  51  20.263  15.948  -0.558
  337   2HB   ASP  51          2HB       ASP  51  18.823  16.097   0.429
  338    H    MET  52           H        MET  52  17.395  12.806   0.289
  339    HA   MET  52           HA       MET  52  17.085  13.042   3.181
  340   1HB   MET  52          1HB       MET  52  14.726  13.150   2.821
  341   2HB   MET  52          2HB       MET  52  15.360  14.061   1.464
  342   1HG   MET  52          1HG       MET  52  15.290  11.895   0.093
  343   2HG   MET  52          2HG       MET  52  14.452  11.145   1.436
  344   1HE   MET  52          1HE       MET  52  14.653  13.867  -1.076
  345   2HE   MET  52          2HE       MET  52  12.984  14.406  -1.381
  346   3HE   MET  52          3HE       MET  52  13.874  15.017   0.035
  347    HA   PRO  53           HA       PRO  53  17.157   8.744   3.509
  348   1HB   PRO  53          1HB       PRO  53  15.492   8.231   5.615
  349   2HB   PRO  53          2HB       PRO  53  17.127   8.831   5.810
  350   1HG   PRO  53          1HG       PRO  53  14.571  10.287   6.099
  351   2HG   PRO  53          2HG       PRO  53  16.160  10.731   6.689
  352   1HD   PRO  53          1HD       PRO  53  14.810  11.826   4.407
  353   2HD   PRO  53          2HD       PRO  53  16.443  12.185   4.931
  354    H    ASP  54           H        ASP  54  16.289   6.710   2.966
  355    HA   ASP  54           HA       ASP  54  14.078   6.862   1.295
  356   1HB   ASP  54          1HB       ASP  54  14.134   4.351   1.422
  357   2HB   ASP  54          2HB       ASP  54  15.699   5.059   1.074
  358    H    ASP  55           H        ASP  55  11.846   6.400   1.703
  359    HA   ASP  55           HA       ASP  55  11.114   6.411   4.473
  360   1HB   ASP  55          1HB       ASP  55   9.997   7.713   2.485
  361   2HB   ASP  55          2HB       ASP  55   9.223   6.189   2.103
  362    H    ARG  56           H        ARG  56  10.023   4.631   5.528
  363    HA   ARG  56           HA       ARG  56  10.298   2.171   3.994
  364   1HB   ARG  56          1HB       ARG  56  10.941   2.707   6.936
  365   2HB   ARG  56          2HB       ARG  56  10.938   1.105   6.226
  366   1HG   ARG  56          1HG       ARG  56  12.777   1.628   4.763
  367   2HG   ARG  56          2HG       ARG  56  12.610   3.351   5.034
  368   1HD   ARG  56          1HD       ARG  56  13.368   3.121   7.361
  369   2HD   ARG  56          2HD       ARG  56  13.358   1.373   7.240
  370    HE   ARG  56           HE       ARG  56  15.040   2.298   5.164
  371   1HH1  ARG  56          2HH2      ARG  56  14.990   2.380   8.705
  372   2HH1  ARG  56          1HH2      ARG  56  16.715   2.435   8.852
  373   1HH2  ARG  56          1HH1      ARG  56  18.062   2.427   6.870
  374    H    CYS  57           H        CYS  57   8.697   0.483   4.419
  375    HA   CYS  57           HA       CYS  57   6.319   1.185   5.755
  376   1HB   CYS  57          1HB       CYS  57   7.458  -1.497   4.946
  377   2HB   CYS  57          2HB       CYS  57   5.866  -1.282   5.647
  378    H    THR  58           H        THR  58   5.598   0.464   7.881
  379    HA   THR  58           HA       THR  58   7.881   0.218   9.703
  380    HB   THR  58           HB       THR  58   6.226   1.145  11.353
  381    HG1  THR  58           HG1      THR  58   4.112   1.659  10.402
  382   1HG2  THR  58          1HG2      THR  58   5.752   3.345  10.218
  383   2HG2  THR  58          2HG2      THR  58   7.446   2.840  10.011
  384   3HG2  THR  58          3HG2      THR  58   6.287   2.636   8.675
  385    H    GLY  59           H        GLY  59   5.192  -1.583   8.378
  386   1HA   GLY  59          1HA       GLY  59   4.424  -3.663   8.969
  387   2HA   GLY  59          2HA       GLY  59   5.435  -3.654  10.401
  388    H    GLN  60           H        GLN  60   4.000  -0.626  10.349
  389    HA   GLN  60           HA       GLN  60   1.745  -1.601  11.913
  390   1HB   GLN  60          1HB       GLN  60   3.893   0.376  12.722
  391   2HB   GLN  60          2HB       GLN  60   2.292   0.478  13.432
  392   1HG   GLN  60          1HG       GLN  60   3.908  -2.110  13.398
  393   2HG   GLN  60          2HG       GLN  60   4.014  -0.950  14.708
  394   1HE2  GLN  60          1HE2      GLN  60   2.016  -0.332  15.797
  395   2HE2  GLN  60          2HE2      GLN  60   0.758  -1.502  16.013
  396    H    SER  61           H        SER  61   2.279  -0.361   9.110
  397    HA   SER  61           HA       SER  61   0.067   1.440   9.280
  398   1HB   SER  61          1HB       SER  61   1.973   2.964   9.698
  399   2HB   SER  61          2HB       SER  61   2.777   2.391   8.249
  400    HG   SER  61           HG       SER  61   1.760   4.086   7.377
  401    H    ALA  62           H        ALA  62  -1.066   1.562   7.271
  402    HA   ALA  62           HA       ALA  62  -0.126  -0.327   5.270
  403   1HB   ALA  62          1HB       ALA  62  -2.430  -0.528   6.072
  404   2HB   ALA  62          2HB       ALA  62  -2.754   1.168   5.639
  405   3HB   ALA  62          3HB       ALA  62  -2.429  -0.029   4.363
  406    H    ASP  63           H        ASP  63  -0.172   3.075   5.977
  407    HA   ASP  63           HA       ASP  63   0.179   3.660   3.149
  408   1HB   ASP  63          1HB       ASP  63  -0.120   6.080   3.949
  409   2HB   ASP  63          2HB       ASP  63  -1.535   5.053   4.059
  410    H    CYS  64           H        CYS  64   2.102   4.867   2.502
  411    HA   CYS  64           HA       CYS  64   4.378   4.186   3.959
  412   1HB   CYS  64          1HB       CYS  64   4.279   4.507   1.505
  413   2HB   CYS  64          2HB       CYS  64   4.098   6.233   1.748
  414    HA   PRO  65           HA       PRO  65   3.557   7.438   6.769
  415   1HB   PRO  65          1HB       PRO  65   5.222   6.655   8.791
  416   2HB   PRO  65          2HB       PRO  65   3.614   5.996   8.565
  417   1HG   PRO  65          1HG       PRO  65   6.227   4.751   7.967
  418   2HG   PRO  65          2HG       PRO  65   4.662   3.984   8.152
  419   1HD   PRO  65          1HD       PRO  65   6.032   4.519   5.688
  420   2HD   PRO  65          2HD       PRO  65   4.419   3.857   5.869
  421    H    ARG  66           H        ARG  66   6.952   6.728   7.356
  422    HA   ARG  66           HA       ARG  66   7.730   9.151   6.128
  423   1HB   ARG  66          1HB       ARG  66   6.669   9.593   8.591
  424   2HB   ARG  66          2HB       ARG  66   8.294   9.169   9.089
  425   1HG   ARG  66          1HG       ARG  66   7.732  11.261   6.941
  426   2HG   ARG  66          2HG       ARG  66   7.858  11.667   8.642
  427   1HD   ARG  66          1HD       ARG  66  10.085  11.954   8.125
  428   2HD   ARG  66          2HD       ARG  66  10.156  10.223   8.384
  429    HE   ARG  66           HE       ARG  66  10.416   9.892   6.071
  430   1HH1  ARG  66          2HH2      ARG  66   9.177  13.164   6.605
  431   2HH1  ARG  66          1HH2      ARG  66   9.578  13.713   5.011
  432   1HH2  ARG  66          1HH1      ARG  66  10.586  12.183   3.465
  433    H    TYR  67           H        TYR  67   8.600   6.931   8.888
  434    HA   TYR  67           HA       TYR  67  10.724   5.759   7.431
  435   1HB   TYR  67          1HB       TYR  67  11.577   8.114   8.110
  436   2HB   TYR  67          2HB       TYR  67  11.345   7.650   9.784
  437    HD1  TYR  67           HD1      TYR  67  12.907   6.190  10.912
  438    HD2  TYR  67           HD2      TYR  67  13.359   7.045   6.744
  439    HE1  TYR  67           HE1      TYR  67  15.252   5.208  10.957
  440    HE2  TYR  67           HE2      TYR  67  15.702   6.060   6.803
  441    HH   TYR  67           HH       TYR  67  17.130   4.890   7.979
  442    H    HIS  68           H        HIS  68  11.931   4.133   8.813
  443    HA   HIS  68           HA       HIS  68  11.161   4.101  11.582
  444   1HB   HIS  68          1HB       HIS  68   9.894   2.331   9.749
  445   2HB   HIS  68          2HB       HIS  68  11.020   1.371  10.690
  446    HD1  HIS  68           HD1      HIS  68   8.739   4.275  11.760
  447    HD2  HIS  68           HD2      HIS  68   9.536   0.262  12.688
  448    HE1  HIS  68           HE1      HIS  68   7.254   3.692  13.753
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -25.215  -0.307   6.917
    2   2H    GLY   1          2H        GLY   1 -23.603  -0.588   6.662
    3   3H    GLY   1          3H        GLY   1 -24.148   0.959   6.889
    4   1HA   GLY   1          1HA       GLY   1 -24.351  -0.753   4.562
    5   2HA   GLY   1          2HA       GLY   1 -25.617   0.423   4.855
    6    H    LYS   2           H        LYS   2 -23.870   0.523   2.583
    7    HA   LYS   2           HA       LYS   2 -22.370   1.749   1.510
    8   1HB   LYS   2          1HB       LYS   2 -23.449   3.903   3.352
    9   2HB   LYS   2          2HB       LYS   2 -22.492   4.202   1.916
   10   1HG   LYS   2          1HG       LYS   2 -24.492   4.267   0.817
   11   2HG   LYS   2          2HG       LYS   2 -24.438   2.518   0.906
   12   1HD   LYS   2          1HD       LYS   2 -25.682   2.600   3.085
   13   2HD   LYS   2          2HD       LYS   2 -25.754   4.347   2.971
   14   1HE   LYS   2          1HE       LYS   2 -27.038   4.170   0.840
   15   2HE   LYS   2          2HE       LYS   2 -26.938   2.422   0.912
   16   1HZ   LYS   2          1HZ       LYS   2 -28.300   4.145   2.913
   17   2HZ   LYS   2          2HZ       LYS   2 -29.037   3.171   1.837
   18    H    GLU   3           H        GLU   3 -20.972   0.131   3.017
   19    HA   GLU   3           HA       GLU   3 -19.112   1.853   4.453
   20   1HB   GLU   3          1HB       GLU   3 -18.841  -0.344   5.941
   21   2HB   GLU   3          2HB       GLU   3 -20.082   0.841   6.296
   22   1HG   GLU   3          1HG       GLU   3 -21.742  -0.483   4.989
   23   2HG   GLU   3          2HG       GLU   3 -20.504  -1.658   4.590
   24    H    CYS   4           H        CYS   4 -16.903   1.377   4.163
   25    HA   CYS   4           HA       CYS   4 -16.338  -0.898   2.424
   26   1HB   CYS   4          1HB       CYS   4 -15.438   1.943   1.903
   27   2HB   CYS   4          2HB       CYS   4 -14.859   0.529   1.047
   28    H    ASP   5           H        ASP   5 -14.418  -1.953   3.045
   29    HA   ASP   5           HA       ASP   5 -12.845  -0.814   5.117
   30   1HB   ASP   5          1HB       ASP   5 -12.670  -3.271   3.352
   31   2HB   ASP   5          2HB       ASP   5 -11.276  -2.802   4.305
   32    H    CYS   6           H        CYS   6 -12.992  -0.811   1.593
   33    HA   CYS   6           HA       CYS   6 -10.259   0.220   1.448
   34   1HB   CYS   6          1HB       CYS   6 -12.003  -0.860  -0.776
   35   2HB   CYS   6          2HB       CYS   6 -10.348  -0.308  -0.935
   36    H    SER   7           H        SER   7 -10.135   1.909  -0.546
   37    HA   SER   7           HA       SER   7 -12.167   3.872   0.039
   38   1HB   SER   7          1HB       SER   7  -9.568   4.056  -1.548
   39   2HB   SER   7          2HB       SER   7 -10.644   5.408  -1.260
   40    HG   SER   7           HG       SER   7  -8.944   5.395   0.302
   41    H    SER   8           H        SER   8 -11.624   1.356  -2.177
   42    HA   SER   8           HA       SER   8 -13.257   2.648  -4.177
   43   1HB   SER   8          1HB       SER   8 -10.551   1.393  -4.822
   44   2HB   SER   8          2HB       SER   8 -11.695   1.995  -6.004
   45    HG   SER   8           HG       SER   8 -11.476   4.135  -4.990
   46    HA   PRO   9           HA       PRO   9 -14.542  -1.578  -4.646
   47   1HB   PRO   9          1HB       PRO   9 -16.040  -1.318  -6.917
   48   2HB   PRO   9          2HB       PRO   9 -16.672  -1.009  -5.311
   49   1HG   PRO   9          1HG       PRO   9 -15.907   0.931  -7.407
   50   2HG   PRO   9          2HG       PRO   9 -16.915   1.181  -5.996
   51   1HD   PRO   9          1HD       PRO   9 -14.189   2.010  -6.325
   52   2HD   PRO   9          2HD       PRO   9 -15.160   2.155  -4.874
   53    H    GLU  10           H        GLU  10 -12.783   0.264  -6.928
   54    HA   GLU  10           HA       GLU  10 -12.196  -1.942  -8.586
   55   1HB   GLU  10          1HB       GLU  10 -11.094   0.854  -8.251
   56   2HB   GLU  10          2HB       GLU  10 -10.225  -0.297  -9.245
   57   1HG   GLU  10          1HG       GLU  10 -11.725   0.904 -10.713
   58   2HG   GLU  10          2HG       GLU  10 -12.374  -0.715 -10.538
   59    H    ASN  11           H        ASN  11 -11.151  -0.907  -5.446
   60    HA   ASN  11           HA       ASN  11  -8.554  -1.799  -5.432
   61   1HB   ASN  11          1HB       ASN  11  -9.910  -0.567  -3.583
   62   2HB   ASN  11          2HB       ASN  11 -10.524  -2.141  -3.120
   63   1HD2  ASN  11          1HD2      ASN  11  -8.153   0.116  -2.631
   64   2HD2  ASN  11          2HD2      ASN  11  -6.945  -0.842  -1.842
   65    HA   PRO  12           HA       PRO  12  -9.422  -5.998  -6.151
   66   1HB   PRO  12          1HB       PRO  12  -6.885  -7.010  -6.064
   67   2HB   PRO  12          2HB       PRO  12  -7.544  -6.195  -7.468
   68   1HG   PRO  12          1HG       PRO  12  -5.589  -5.191  -5.491
   69   2HG   PRO  12          2HG       PRO  12  -5.934  -4.584  -7.099
   70   1HD   PRO  12          1HD       PRO  12  -6.793  -3.441  -4.612
   71   2HD   PRO  12          2HD       PRO  12  -7.234  -2.903  -6.220
   72    H    CYS  13           H        CYS  13  -8.289  -4.848  -3.226
   73    HA   CYS  13           HA       CYS  13  -8.233  -7.411  -1.960
   74   1HB   CYS  13          1HB       CYS  13  -8.342  -4.657  -0.712
   75   2HB   CYS  13          2HB       CYS  13  -7.956  -6.158   0.106
   76    H    CYS  14           H        CYS  14 -10.560  -4.872  -2.780
   77    HA   CYS  14           HA       CYS  14 -12.497  -6.076  -0.944
   78   1HB   CYS  14          1HB       CYS  14 -12.199  -3.274  -2.006
   79   2HB   CYS  14          2HB       CYS  14 -13.727  -3.849  -1.369
   80    H    ASP  15           H        ASP  15 -14.026  -7.349  -1.962
   81    HA   ASP  15           HA       ASP  15 -14.488  -7.403  -4.663
   82   1HB   ASP  15          1HB       ASP  15 -15.308  -9.029  -2.872
   83   2HB   ASP  15          2HB       ASP  15 -16.547  -7.861  -2.456
   84    H    ALA  16           H        ALA  16 -16.247  -6.418  -5.959
   85    HA   ALA  16           HA       ALA  16 -16.441  -3.670  -5.372
   86   1HB   ALA  16          1HB       ALA  16 -17.746  -3.617  -7.481
   87   2HB   ALA  16          2HB       ALA  16 -16.255  -4.572  -7.651
   88   3HB   ALA  16          3HB       ALA  16 -17.823  -5.395  -7.468
   89    H    ALA  17           H        ALA  17 -18.515  -6.491  -4.790
   90    HA   ALA  17           HA       ALA  17 -20.927  -4.981  -4.669
   91   1HB   ALA  17          1HB       ALA  17 -21.888  -7.134  -3.940
   92   2HB   ALA  17          2HB       ALA  17 -20.836  -7.351  -5.359
   93   3HB   ALA  17          3HB       ALA  17 -20.249  -7.801  -3.739
   94    H    THR  18           H        THR  18 -18.733  -6.543  -2.234
   95    HA   THR  18           HA       THR  18 -20.410  -5.497  -0.105
   96    HB   THR  18           HB       THR  18 -18.872  -6.941   1.283
   97    HG1  THR  18           HG1      THR  18 -17.133  -7.912   0.141
   98   1HG2  THR  18          1HG2      THR  18 -20.850  -7.993   0.010
   99   2HG2  THR  18          2HG2      THR  18 -19.687  -8.418  -1.268
  100   3HG2  THR  18          3HG2      THR  18 -19.505  -9.103   0.365
  101    H    CYS  19           H        CYS  19 -17.395  -4.756  -1.769
  102    HA   CYS  19           HA       CYS  19 -16.066  -3.012  -1.610
  103   1HB   CYS  19          1HB       CYS  19 -18.366  -1.875  -0.978
  104   2HB   CYS  19          2HB       CYS  19 -17.617  -1.721   0.598
  105    H    LYS  20           H        LYS  20 -15.910  -5.498   0.087
  106    HA   LYS  20           HA       LYS  20 -14.508  -4.420   2.420
  107   1HB   LYS  20          1HB       LYS  20 -17.095  -5.440   2.544
  108   2HB   LYS  20          2HB       LYS  20 -16.100  -6.799   3.025
  109   1HG   LYS  20          1HG       LYS  20 -16.427  -5.673   5.068
  110   2HG   LYS  20          2HG       LYS  20 -14.853  -5.085   4.567
  111   1HD   LYS  20          1HD       LYS  20 -15.834  -3.040   5.011
  112   2HD   LYS  20          2HD       LYS  20 -16.354  -3.201   3.346
  113   1HE   LYS  20          1HE       LYS  20 -18.016  -4.160   5.722
  114   2HE   LYS  20          2HE       LYS  20 -18.201  -2.578   4.993
  115   1HZ   LYS  20          1HZ       LYS  20 -19.758  -4.181   4.031
  116   2HZ   LYS  20          2HZ       LYS  20 -18.726  -3.679   2.876
  117    H    LEU  21           H        LEU  21 -13.076  -6.107   3.464
  118    HA   LEU  21           HA       LEU  21 -11.396  -6.839   1.351
  119   1HB   LEU  21          1HB       LEU  21 -11.272  -7.499   4.296
  120   2HB   LEU  21          2HB       LEU  21  -9.971  -7.767   3.154
  121    HG   LEU  21           HG       LEU  21 -11.146  -5.020   3.580
  122   1HD1  LEU  21          1HD1      LEU  21  -9.413  -4.558   5.226
  123   2HD1  LEU  21          2HD1      LEU  21 -10.469  -5.881   5.778
  124   3HD1  LEU  21          3HD1      LEU  21  -8.849  -6.244   5.133
  125   1HD2  LEU  21          1HD2      LEU  21  -8.966  -4.268   2.756
  126   2HD2  LEU  21          2HD2      LEU  21  -8.445  -5.961   2.576
  127   3HD2  LEU  21          3HD2      LEU  21  -9.781  -5.329   1.582
  128    H    ARG  22           H        ARG  22 -11.152  -8.705   0.200
  129    HA   ARG  22           HA       ARG  22 -13.324 -10.455   0.382
  130   1HB   ARG  22          1HB       ARG  22 -11.159  -9.873  -1.470
  131   2HB   ARG  22          2HB       ARG  22 -11.265 -11.609  -1.264
  132   1HG   ARG  22          1HG       ARG  22 -13.617 -11.627  -1.901
  133   2HG   ARG  22          2HG       ARG  22 -13.708  -9.877  -1.844
  134   1HD   ARG  22          1HD       ARG  22 -11.775 -11.289  -3.726
  135   2HD   ARG  22          2HD       ARG  22 -13.444 -11.014  -4.183
  136    HE   ARG  22           HE       ARG  22 -12.338  -8.554  -3.201
  137   1HH1  ARG  22          2HH2      ARG  22 -11.987 -10.732  -5.972
  138   2HH1  ARG  22          1HH2      ARG  22 -11.584  -9.462  -7.078
  139   1HH2  ARG  22          1HH1      ARG  22 -11.505  -7.200  -6.290
  140    HA   PRO  23           HA       PRO  23 -10.004 -13.487   1.947
  141   1HB   PRO  23          1HB       PRO  23  -7.452 -12.616   2.388
  142   2HB   PRO  23          2HB       PRO  23  -7.950 -13.415   0.910
  143   1HG   PRO  23          1HG       PRO  23  -7.395 -10.549   1.370
  144   2HG   PRO  23          2HG       PRO  23  -7.473 -11.422  -0.146
  145   1HD   PRO  23          1HD       PRO  23  -9.476  -9.678   0.936
  146   2HD   PRO  23          2HD       PRO  23  -9.602 -10.640  -0.524
  147    H    GLY  24           H        GLY  24  -8.666 -13.908   4.116
  148   1HA   GLY  24          1HA       GLY  24  -9.537 -12.139   6.182
  149   2HA   GLY  24          2HA       GLY  24  -8.309 -13.386   6.285
  150    H    ALA  25           H        ALA  25  -8.823 -10.160   4.670
  151    HA   ALA  25           HA       ALA  25  -5.932  -9.779   4.763
  152   1HB   ALA  25          1HB       ALA  25  -6.392  -9.107   2.659
  153   2HB   ALA  25          2HB       ALA  25  -8.141  -9.033   2.986
  154   3HB   ALA  25          3HB       ALA  25  -7.101  -7.646   3.391
  155    H    GLN  26           H        GLN  26  -5.234  -7.405   5.211
  156    HA   GLN  26           HA       GLN  26  -6.544  -6.739   7.711
  157   1HB   GLN  26          1HB       GLN  26  -3.792  -5.982   6.634
  158   2HB   GLN  26          2HB       GLN  26  -4.411  -5.504   8.201
  159   1HG   GLN  26          1HG       GLN  26  -4.643  -7.898   8.857
  160   2HG   GLN  26          2HG       GLN  26  -4.066  -8.396   7.278
  161   1HE2  GLN  26          1HE2      GLN  26  -3.260  -7.170  10.391
  162   2HE2  GLN  26          2HE2      GLN  26  -1.534  -7.187  10.250
  163    H    CYS  27           H        CYS  27  -5.135  -5.174   4.750
  164    HA   CYS  27           HA       CYS  27  -7.064  -3.019   5.139
  165   1HB   CYS  27          1HB       CYS  27  -5.303  -1.379   4.470
  166   2HB   CYS  27          2HB       CYS  27  -5.122  -2.066   6.072
  167    H    GLY  28           H        GLY  28  -7.261  -1.711   3.000
  168   1HA   GLY  28          1HA       GLY  28  -6.393  -3.323   0.674
  169   2HA   GLY  28          2HA       GLY  28  -7.840  -2.335   0.714
  170    H    GLU  29           H        GLU  29  -5.863  -0.460   2.527
  171    HA   GLU  29           HA       GLU  29  -4.852   0.922   0.187
  172   1HB   GLU  29          1HB       GLU  29  -7.006   1.911   2.075
  173   2HB   GLU  29          2HB       GLU  29  -5.967   3.054   1.248
  174   1HG   GLU  29          1HG       GLU  29  -7.608   0.892  -0.155
  175   2HG   GLU  29          2HG       GLU  29  -8.112   2.563   0.009
  176    H    GLY  30           H        GLY  30  -3.360   2.740   0.758
  177   1HA   GLY  30          1HA       GLY  30  -2.176   3.845   2.583
  178   2HA   GLY  30          2HA       GLY  30  -2.159   2.311   3.430
  179    H    LEU  31           H        LEU  31   0.180   3.920   2.691
  180    HA   LEU  31           HA       LEU  31   1.262   2.992   0.254
  181   1HB   LEU  31          1HB       LEU  31   2.244   4.569   2.598
  182   2HB   LEU  31          2HB       LEU  31   3.405   3.946   1.442
  183    HG   LEU  31           HG       LEU  31   2.663   6.308   1.052
  184   1HD1  LEU  31          1HD1      LEU  31   3.675   4.891  -0.712
  185   2HD1  LEU  31          2HD1      LEU  31   2.040   4.412  -1.228
  186   3HD1  LEU  31          3HD1      LEU  31   2.549   6.113  -1.350
  187   1HD2  LEU  31          1HD2      LEU  31   0.491   6.767   0.101
  188   2HD2  LEU  31          2HD2      LEU  31   0.046   5.047   0.191
  189   3HD2  LEU  31          3HD2      LEU  31   0.292   5.981   1.686
  190    H    CYS  32           H        CYS  32   1.196   1.780   3.577
  191    HA   CYS  32           HA       CYS  32   3.390  -0.034   2.961
  192   1HB   CYS  32          1HB       CYS  32   3.548   1.304   5.015
  193   2HB   CYS  32          2HB       CYS  32   2.054   0.600   5.601
  194    H    CYS  33           H        CYS  33   0.257   0.046   2.242
  195    HA   CYS  33           HA       CYS  33  -0.516  -2.490   3.397
  196   1HB   CYS  33          1HB       CYS  33  -2.081  -0.525   3.189
  197   2HB   CYS  33          2HB       CYS  33  -2.056  -0.765   1.452
  198    H    GLU  34           H        GLU  34   0.548  -4.206   2.414
  199    HA   GLU  34           HA       GLU  34   0.454  -4.223  -0.498
  200   1HB   GLU  34          1HB       GLU  34   2.801  -4.072   1.129
  201   2HB   GLU  34          2HB       GLU  34   2.758  -5.696   0.469
  202   1HG   GLU  34          1HG       GLU  34   2.308  -3.243  -1.281
  203   2HG   GLU  34          2HG       GLU  34   3.916  -3.863  -0.959
  204    H    GLN  35           H        GLN  35   0.044  -6.292  -1.463
  205    HA   GLN  35           HA       GLN  35  -1.349  -7.969  -1.511
  206   1HB   GLN  35          1HB       GLN  35   0.671  -8.829   0.563
  207   2HB   GLN  35          2HB       GLN  35  -0.685  -9.882   0.213
  208   1HG   GLN  35          1HG       GLN  35   1.224 -10.481  -1.221
  209   2HG   GLN  35          2HG       GLN  35  -0.089  -9.869  -2.208
  210   1HE2  GLN  35          1HE2      GLN  35   2.960  -9.044  -0.646
  211   2HE2  GLN  35          2HE2      GLN  35   3.430  -7.758  -1.707
  212    H    CYS  36           H        CYS  36  -2.235  -5.710   0.117
  213    HA   CYS  36           HA       CYS  36  -4.057  -5.226   1.241
  214   1HB   CYS  36          1HB       CYS  36  -4.775  -8.156   1.339
  215   2HB   CYS  36          2HB       CYS  36  -5.850  -6.780   1.486
  216    H    LYS  37           H        LYS  37  -1.411  -6.103   2.474
  217    HA   LYS  37           HA       LYS  37  -2.425  -6.634   5.164
  218   1HB   LYS  37          1HB       LYS  37  -0.356  -8.245   3.667
  219   2HB   LYS  37          2HB       LYS  37  -0.376  -8.182   5.418
  220   1HG   LYS  37          1HG       LYS  37  -2.782  -8.933   5.394
  221   2HG   LYS  37          2HG       LYS  37  -2.709  -9.052   3.646
  222   1HD   LYS  37          1HD       LYS  37  -0.721 -10.540   5.405
  223   2HD   LYS  37          2HD       LYS  37  -2.297 -11.220   5.050
  224   1HE   LYS  37          1HE       LYS  37  -1.815 -11.001   2.587
  225   2HE   LYS  37          2HE       LYS  37  -0.222 -10.376   2.968
  226   1HZ   LYS  37          1HZ       LYS  37  -0.193 -12.787   2.551
  227   2HZ   LYS  37          2HZ       LYS  37   0.294 -12.475   4.074
  228    H    PHE  38           H        PHE  38  -0.711  -6.124   6.854
  229    HA   PHE  38           HA       PHE  38   0.412  -3.584   6.146
  230   1HB   PHE  38          1HB       PHE  38   0.211  -5.381   8.620
  231   2HB   PHE  38          2HB       PHE  38   1.156  -3.907   8.680
  232    HD1  PHE  38           HD1      PHE  38  -2.147  -4.626   7.095
  233    HD2  PHE  38           HD2      PHE  38   0.003  -2.402  10.000
  234    HE1  PHE  38           HE1      PHE  38  -4.221  -3.316   7.629
  235    HE2  PHE  38           HE2      PHE  38  -2.070  -1.093  10.534
  236    HZ   PHE  38           HZ       PHE  38  -4.158  -1.566   9.342
  237    H    SER  39           H        SER  39   2.262  -3.708   4.866
  238    HA   SER  39           HA       SER  39   3.726  -6.036   4.760
  239   1HB   SER  39          1HB       SER  39   3.954  -4.829   2.811
  240   2HB   SER  39          2HB       SER  39   3.943  -3.282   3.634
  241    HG   SER  39           HG       SER  39   6.035  -3.678   2.767
  242    H    ARG  40           H        ARG  40   6.253  -6.121   5.101
  243    HA   ARG  40           HA       ARG  40   6.248  -5.974   7.920
  244   1HB   ARG  40          1HB       ARG  40   8.220  -7.398   7.791
  245   2HB   ARG  40          2HB       ARG  40   7.102  -7.939   6.556
  246   1HG   ARG  40          1HG       ARG  40   8.368  -6.435   4.900
  247   2HG   ARG  40          2HG       ARG  40   9.566  -6.187   6.154
  248   1HD   ARG  40          1HD       ARG  40  10.338  -8.011   4.735
  249   2HD   ARG  40          2HD       ARG  40   9.893  -8.692   6.287
  250    HE   ARG  40           HE       ARG  40   8.183  -8.828   3.826
  251   1HH1  ARG  40          2HH2      ARG  40   8.467  -9.757   7.199
  252   2HH1  ARG  40          1HH2      ARG  40   7.967 -11.396   6.946
  253   1HH2  ARG  40          1HH1      ARG  40   7.132 -12.017   4.775
  254    H    ALA  41           H        ALA  41   8.106  -5.108   9.238
  255    HA   ALA  41           HA       ALA  41   8.497  -2.419   8.541
  256   1HB   ALA  41          1HB       ALA  41   9.896  -4.111  10.653
  257   2HB   ALA  41          2HB       ALA  41   9.771  -2.335  10.628
  258   3HB   ALA  41          3HB       ALA  41   8.310  -3.327  10.855
  259    H    GLY  42           H        GLY  42   9.983  -1.493   7.224
  260   1HA   GLY  42          1HA       GLY  42  12.361  -1.161   6.919
  261   2HA   GLY  42          2HA       GLY  42  12.565  -2.901   6.900
  262    H    LYS  43           H        LYS  43   9.858  -3.066   5.333
  263    HA   LYS  43           HA       LYS  43  11.153  -3.100   2.785
  264   1HB   LYS  43          1HB       LYS  43   9.578  -4.859   3.588
  265   2HB   LYS  43          2HB       LYS  43   8.270  -3.695   3.513
  266   1HG   LYS  43          1HG       LYS  43   8.556  -3.416   1.102
  267   2HG   LYS  43          2HG       LYS  43  10.035  -4.355   1.113
  268   1HD   LYS  43          1HD       LYS  43   7.461  -5.603   2.122
  269   2HD   LYS  43          2HD       LYS  43   7.753  -5.496   0.397
  270   1HE   LYS  43          1HE       LYS  43   9.685  -6.778   2.389
  271   2HE   LYS  43          2HE       LYS  43   8.532  -7.672   1.420
  272   1HZ   LYS  43          1HZ       LYS  43  10.741  -7.570   0.372
  273   2HZ   LYS  43          2HZ       LYS  43   9.634  -6.850  -0.580
  274    H    ILE  44           H        ILE  44  10.811  -1.735   1.004
  275    HA   ILE  44           HA       ILE  44  10.504   0.912   1.923
  276    HB   ILE  44           HB       ILE  44  11.252  -0.454  -0.603
  277   1HG1  ILE  44          1HG1      ILE  44  13.154   1.199  -0.395
  278   2HG1  ILE  44          2HG1      ILE  44  12.463   1.715   1.130
  279   1HG2  ILE  44          1HG2      ILE  44  10.298   2.415  -0.485
  280   2HG2  ILE  44          2HG2      ILE  44  11.337   1.765  -1.776
  281   3HG2  ILE  44          3HG2      ILE  44   9.704   1.102  -1.529
  282   1HD1  ILE  44          1HD1      ILE  44  14.269  -0.070   1.322
  283   2HD1  ILE  44          2HD1      ILE  44  12.726  -0.489   2.104
  284   3HD1  ILE  44          3HD1      ILE  44  13.143  -1.196   0.524
  285    H    CYS  45           H        CYS  45   8.726   2.176   2.045
  286    HA   CYS  45           HA       CYS  45   6.287   1.140   0.892
  287   1HB   CYS  45          1HB       CYS  45   5.158   2.827   2.186
  288   2HB   CYS  45          2HB       CYS  45   6.272   1.933   3.200
  289    H    ARG  46           H        ARG  46   8.711   3.745   0.506
  290    HA   ARG  46           HA       ARG  46   7.201   4.723  -1.758
  291   1HB   ARG  46          1HB       ARG  46   6.744   6.044   0.469
  292   2HB   ARG  46          2HB       ARG  46   8.369   6.668   0.273
  293   1HG   ARG  46          1HG       ARG  46   7.800   7.595  -1.940
  294   2HG   ARG  46          2HG       ARG  46   6.212   6.858  -1.879
  295   1HD   ARG  46          1HD       ARG  46   7.226   8.961   0.097
  296   2HD   ARG  46          2HD       ARG  46   6.176   9.298  -1.265
  297    HE   ARG  46           HE       ARG  46   4.444   7.875  -0.203
  298   1HH1  ARG  46          2HH2      ARG  46   7.275   8.049   1.862
  299   2HH1  ARG  46          1HH2      ARG  46   6.381   8.314   3.321
  300   1HH2  ARG  46          1HH1      ARG  46   3.980   8.230   3.238
  301    H    ILE  47           H        ILE  47   8.538   5.653  -3.407
  302    HA   ILE  47           HA       ILE  47  11.338   5.000  -3.110
  303    HB   ILE  47           HB       ILE  47   9.815   6.051  -5.496
  304   1HG1  ILE  47          1HG1      ILE  47   8.938   3.884  -4.551
  305   2HG1  ILE  47          2HG1      ILE  47   9.483   3.822  -6.215
  306   1HG2  ILE  47          1HG2      ILE  47  11.692   5.146  -6.793
  307   2HG2  ILE  47          2HG2      ILE  47  12.216   6.418  -5.663
  308   3HG2  ILE  47          3HG2      ILE  47  12.524   4.708  -5.281
  309   1HD1  ILE  47          1HD1      ILE  47  11.563   2.751  -5.598
  310   2HD1  ILE  47          2HD1      ILE  47  11.273   3.056  -3.869
  311   3HD1  ILE  47          3HD1      ILE  47  10.260   1.886  -4.749
  312    HA   PRO  48           HA       PRO  48  12.448   9.148  -2.331
  313   1HB   PRO  48          1HB       PRO  48  15.162   8.846  -2.448
  314   2HB   PRO  48          2HB       PRO  48  14.223   8.520  -1.005
  315   1HG   PRO  48          1HG       PRO  48  15.445   6.602  -2.894
  316   2HG   PRO  48          2HG       PRO  48  14.885   6.325  -1.257
  317   1HD   PRO  48          1HD       PRO  48  13.547   5.572  -3.681
  318   2HD   PRO  48          2HD       PRO  48  12.934   5.400  -2.047
  319    H    ARG  49           H        ARG  49  13.459  11.052  -3.337
  320    HA   ARG  49           HA       ARG  49  14.567  10.346  -5.920
  321   1HB   ARG  49          1HB       ARG  49  13.604  12.480  -6.877
  322   2HB   ARG  49          2HB       ARG  49  12.378  11.305  -6.444
  323   1HG   ARG  49          1HG       ARG  49  11.956  12.481  -4.305
  324   2HG   ARG  49          2HG       ARG  49  13.250  13.614  -4.642
  325   1HD   ARG  49          1HD       ARG  49  12.017  14.370  -6.709
  326   2HD   ARG  49          2HD       ARG  49  10.710  13.274  -6.310
  327    HE   ARG  49           HE       ARG  49  10.011  14.737  -4.607
  328   1HH1  ARG  49          2HH2      ARG  49  13.277  15.640  -5.640
  329   2HH1  ARG  49          1HH2      ARG  49  13.260  17.152  -4.797
  330   1HH2  ARG  49          1HH1      ARG  49  11.320  17.769  -3.532
  331    H    GLY  50           H        GLY  50  16.018  12.235  -6.767
  332   1HA   GLY  50          1HA       GLY  50  17.643  13.768  -6.454
  333   2HA   GLY  50          2HA       GLY  50  16.925  14.200  -4.915
  334    H    ASP  51           H        ASP  51  17.897  13.519  -3.011
  335    HA   ASP  51           HA       ASP  51  19.525  11.130  -3.212
  336   1HB   ASP  51          1HB       ASP  51  20.986  13.216  -3.223
  337   2HB   ASP  51          2HB       ASP  51  20.332  13.626  -1.649
  338    H    MET  52           H        MET  52  16.746  11.846  -2.245
  339    HA   MET  52           HA       MET  52  16.791  12.077   0.539
  340   1HB   MET  52          1HB       MET  52  14.733  11.165  -1.527
  341   2HB   MET  52          2HB       MET  52  14.343  11.145   0.182
  342   1HG   MET  52          1HG       MET  52  14.764  13.562   0.367
  343   2HG   MET  52          2HG       MET  52  15.361  13.629  -1.279
  344   1HE   MET  52          1HE       MET  52  13.186  15.568  -0.319
  345   2HE   MET  52          2HE       MET  52  13.687  15.499  -2.025
  346   3HE   MET  52          3HE       MET  52  11.958  15.483  -1.605
  347    HA   PRO  53           HA       PRO  53  17.022   7.802   1.684
  348   1HB   PRO  53          1HB       PRO  53  15.719   7.850   4.086
  349   2HB   PRO  53          2HB       PRO  53  17.414   8.263   3.905
  350   1HG   PRO  53          1HG       PRO  53  15.103  10.059   4.330
  351   2HG   PRO  53          2HG       PRO  53  16.808  10.387   4.569
  352   1HD   PRO  53          1HD       PRO  53  15.183  11.260   2.372
  353   2HD   PRO  53          2HD       PRO  53  16.911  11.489   2.554
  354    H    ASP  54           H        ASP  54  15.927   5.866   1.456
  355    HA   ASP  54           HA       ASP  54  13.369   6.094   0.359
  356   1HB   ASP  54          1HB       ASP  54  13.344   3.574   0.649
  357   2HB   ASP  54          2HB       ASP  54  14.737   4.191  -0.219
  358    H    ASP  55           H        ASP  55  11.323   5.924   1.383
  359    HA   ASP  55           HA       ASP  55  11.359   5.877   4.251
  360   1HB   ASP  55          1HB       ASP  55   8.998   6.067   2.322
  361   2HB   ASP  55          2HB       ASP  55   8.944   6.398   4.041
  362    H    ARG  56           H        ARG  56  10.150   4.214   5.511
  363    HA   ARG  56           HA       ARG  56  10.151   1.756   3.951
  364   1HB   ARG  56          1HB       ARG  56  11.495   2.320   6.640
  365   2HB   ARG  56          2HB       ARG  56  11.298   0.702   5.993
  366   1HG   ARG  56          1HG       ARG  56  12.707   1.172   4.094
  367   2HG   ARG  56          2HG       ARG  56  12.651   2.900   4.378
  368   1HD   ARG  56          1HD       ARG  56  13.929   2.624   6.491
  369   2HD   ARG  56          2HD       ARG  56  13.926   0.883   6.290
  370    HE   ARG  56           HE       ARG  56  15.037   1.789   3.918
  371   1HH1  ARG  56          2HH2      ARG  56  15.864   1.996   7.350
  372   2HH1  ARG  56          1HH2      ARG  56  17.517   2.422   7.058
  373   1HH2  ARG  56          1HH1      ARG  56  18.299   2.606   4.799
  374    H    CYS  57           H        CYS  57   8.985  -0.092   5.048
  375    HA   CYS  57           HA       CYS  57   6.537   0.846   6.097
  376   1HB   CYS  57          1HB       CYS  57   7.689  -1.736   5.257
  377   2HB   CYS  57          2HB       CYS  57   6.483  -1.848   6.524
  378    H    THR  58           H        THR  58   5.625  -0.171   8.230
  379    HA   THR  58           HA       THR  58   7.704   0.367  10.241
  380    HB   THR  58           HB       THR  58   4.707   0.669  10.647
  381    HG1  THR  58           HG1      THR  58   6.688   2.328   9.265
  382   1HG2  THR  58          1HG2      THR  58   7.117   2.328  11.558
  383   2HG2  THR  58          2HG2      THR  58   5.428   2.544  12.077
  384   3HG2  THR  58          3HG2      THR  58   6.326   1.085  12.558
  385    H    GLY  59           H        GLY  59   5.863  -2.148   8.879
  386   1HA   GLY  59          1HA       GLY  59   4.963  -4.067   9.628
  387   2HA   GLY  59          2HA       GLY  59   6.288  -4.100  10.772
  388    H    GLN  60           H        GLN  60   3.233  -2.127  10.349
  389    HA   GLN  60           HA       GLN  60   2.425  -2.601  12.998
  390   1HB   GLN  60          1HB       GLN  60   4.573  -1.102  13.173
  391   2HB   GLN  60          2HB       GLN  60   3.541   0.189  12.592
  392   1HG   GLN  60          1HG       GLN  60   1.944  -0.247  14.477
  393   2HG   GLN  60          2HG       GLN  60   2.989  -1.527  15.060
  394   1HE2  GLN  60          1HE2      GLN  60   3.217  -0.445  17.025
  395   2HE2  GLN  60          2HE2      GLN  60   4.266   0.919  17.226
  396    H    SER  61           H        SER  61   2.511  -0.376  10.161
  397    HA   SER  61           HA       SER  61  -0.299   0.184  10.696
  398   1HB   SER  61          1HB       SER  61   0.926   2.159  11.368
  399   2HB   SER  61          2HB       SER  61   1.916   2.122   9.923
  400    HG   SER  61           HG       SER  61  -0.824   2.904  10.222
  401    H    ALA  62           H        ALA  62  -1.570   0.756   8.720
  402    HA   ALA  62           HA       ALA  62  -0.597  -0.496   6.334
  403   1HB   ALA  62          1HB       ALA  62  -2.782   0.283   5.426
  404   2HB   ALA  62          2HB       ALA  62  -2.962  -0.605   6.958
  405   3HB   ALA  62          3HB       ALA  62  -3.072   1.172   6.940
  406    H    ASP  63           H        ASP  63  -0.373   2.634   7.849
  407    HA   ASP  63           HA       ASP  63   0.122   3.867   5.267
  408   1HB   ASP  63          1HB       ASP  63  -1.505   5.040   6.672
  409   2HB   ASP  63          2HB       ASP  63  -0.412   5.015   8.043
  410    H    CYS  64           H        CYS  64   2.120   5.186   5.026
  411    HA   CYS  64           HA       CYS  64   4.279   4.115   6.622
  412   1HB   CYS  64          1HB       CYS  64   4.168   4.439   4.015
  413   2HB   CYS  64          2HB       CYS  64   4.663   6.078   4.392
  414    HA   PRO  65           HA       PRO  65   4.497   7.916   8.885
  415   1HB   PRO  65          1HB       PRO  65   6.674   7.285  10.412
  416   2HB   PRO  65          2HB       PRO  65   5.034   6.864  10.861
  417   1HG   PRO  65          1HG       PRO  65   7.169   5.121   9.793
  418   2HG   PRO  65          2HG       PRO  65   5.699   4.667  10.633
  419   1HD   PRO  65          1HD       PRO  65   6.191   4.482   7.813
  420   2HD   PRO  65          2HD       PRO  65   4.684   4.138   8.639
  421    H    ARG  66           H        ARG  66   7.704   6.600   8.152
  422    HA   ARG  66           HA       ARG  66   8.314   8.760   6.483
  423   1HB   ARG  66          1HB       ARG  66   8.259   9.847   8.831
  424   2HB   ARG  66          2HB       ARG  66   9.657   8.867   9.225
  425   1HG   ARG  66          1HG       ARG  66  10.371   9.999   6.765
  426   2HG   ARG  66          2HG       ARG  66   9.480  11.292   7.542
  427   1HD   ARG  66          1HD       ARG  66  10.938  11.223   9.505
  428   2HD   ARG  66          2HD       ARG  66  11.718   9.758   8.943
  429    HE   ARG  66           HE       ARG  66  12.914  11.016   7.302
  430   1HH1  ARG  66          2HH2      ARG  66  10.417  13.079   8.704
  431   2HH1  ARG  66          1HH2      ARG  66  11.295  14.549   8.443
  432   1HH2  ARG  66          1HH1      ARG  66  13.404  14.461   7.302
  433    H    TYR  67           H        TYR  67   9.725   6.544   9.010
  434    HA   TYR  67           HA       TYR  67  11.472   5.321   7.109
  435   1HB   TYR  67          1HB       TYR  67  12.430   7.677   7.701
  436   2HB   TYR  67          2HB       TYR  67  12.568   7.119   9.356
  437    HD1  TYR  67           HD1      TYR  67  14.256   5.449   9.990
  438    HD2  TYR  67           HD2      TYR  67  13.951   6.872   5.967
  439    HE1  TYR  67           HE1      TYR  67  16.553   4.493   9.471
  440    HE2  TYR  67           HE2      TYR  67  16.249   5.910   5.461
  441    HH   TYR  67           HH       TYR  67  17.900   4.719   6.192
  442    H    HIS  68           H        HIS  68  12.914   3.682   8.186
  443    HA   HIS  68           HA       HIS  68  12.406   3.233  10.979
  444   1HB   HIS  68          1HB       HIS  68  10.515   2.113   9.699
  445   2HB   HIS  68          2HB       HIS  68  11.717   1.034   9.019
  446    HD1  HIS  68           HD1      HIS  68  13.353  -0.021  11.185
  447    HD2  HIS  68           HD2      HIS  68   9.325   0.946  11.844
  448    HE1  HIS  68           HE1      HIS  68  12.631  -1.335  13.251
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1 -19.630  -1.460   6.781
    2   2H    GLY   1          2H        GLY   1 -20.286  -0.731   8.114
    3   3H    GLY   1          3H        GLY   1 -21.040  -2.037   7.429
    4   1HA   GLY   1          1HA       GLY   1 -21.051  -0.549   5.336
    5   2HA   GLY   1          2HA       GLY   1 -22.322  -0.470   6.539
    6    H    LYS   2           H        LYS   2 -21.959   1.772   5.003
    7    HA   LYS   2           HA       LYS   2 -21.240   3.861   4.846
    8   1HB   LYS   2          1HB       LYS   2 -21.465   3.682   7.866
    9   2HB   LYS   2          2HB       LYS   2 -21.325   5.178   6.963
   10   1HG   LYS   2          1HG       LYS   2 -23.603   5.129   6.864
   11   2HG   LYS   2          2HG       LYS   2 -23.390   3.926   5.608
   12   1HD   LYS   2          1HD       LYS   2 -23.447   2.117   7.359
   13   2HD   LYS   2          2HD       LYS   2 -23.720   3.337   8.587
   14   1HE   LYS   2          1HE       LYS   2 -25.556   2.835   6.194
   15   2HE   LYS   2          2HE       LYS   2 -25.847   2.244   7.818
   16   1HZ   LYS   2          1HZ       LYS   2 -27.013   4.349   7.385
   17   2HZ   LYS   2          2HZ       LYS   2 -25.941   4.546   8.594
   18    H    GLU   3           H        GLU   3 -19.158   2.155   4.362
   19    HA   GLU   3           HA       GLU   3 -16.876   3.386   5.442
   20   1HB   GLU   3          1HB       GLU   3 -17.564   2.118   7.461
   21   2HB   GLU   3          2HB       GLU   3 -17.590   0.629   6.536
   22   1HG   GLU   3          1HG       GLU   3 -15.151   0.885   6.048
   23   2HG   GLU   3          2HG       GLU   3 -15.121   2.382   6.958
   24    H    CYS   4           H        CYS   4 -14.993   2.766   4.257
   25    HA   CYS   4           HA       CYS   4 -15.265   0.287   2.731
   26   1HB   CYS   4          1HB       CYS   4 -14.005   2.854   1.745
   27   2HB   CYS   4          2HB       CYS   4 -13.887   1.305   0.935
   28    H    ASP   5           H        ASP   5 -13.549  -1.122   3.119
   29    HA   ASP   5           HA       ASP   5 -11.394  -0.205   4.739
   30   1HB   ASP   5          1HB       ASP   5 -12.076  -2.836   3.368
   31   2HB   ASP   5          2HB       ASP   5 -10.539  -2.613   4.181
   32    H    CYS   6           H        CYS   6 -12.218  -0.416   1.358
   33    HA   CYS   6           HA       CYS   6  -9.396  -0.118   0.635
   34   1HB   CYS   6          1HB       CYS   6 -11.736  -0.971  -1.084
   35   2HB   CYS   6          2HB       CYS   6 -10.100  -0.716  -1.659
   36    H    SER   7           H        SER   7  -9.093   1.492  -1.274
   37    HA   SER   7           HA       SER   7 -10.768   3.782  -0.850
   38   1HB   SER   7          1HB       SER   7  -8.488   3.468  -2.846
   39   2HB   SER   7          2HB       SER   7  -9.171   4.969  -2.251
   40    HG   SER   7           HG       SER   7  -8.364   4.458  -0.125
   41    H    SER   8           H        SER   8 -10.422   1.064  -3.048
   42    HA   SER   8           HA       SER   8 -12.239   2.399  -4.899
   43   1HB   SER   8          1HB       SER   8  -9.934   0.500  -5.512
   44   2HB   SER   8          2HB       SER   8 -11.151   0.942  -6.694
   45    HG   SER   8           HG       SER   8  -9.417   2.800  -5.299
   46    HA   PRO   9           HA       PRO   9 -14.633  -1.285  -4.452
   47   1HB   PRO   9          1HB       PRO   9 -16.215  -1.106  -6.672
   48   2HB   PRO   9          2HB       PRO   9 -16.565  -0.263  -5.177
   49   1HG   PRO   9          1HG       PRO   9 -15.490   0.823  -7.708
   50   2HG   PRO   9          2HG       PRO   9 -16.236   1.681  -6.375
   51   1HD   PRO   9          1HD       PRO   9 -13.435   1.544  -6.977
   52   2HD   PRO   9          2HD       PRO   9 -14.170   2.305  -5.580
   53    H    GLU  10           H        GLU  10 -12.767  -0.620  -7.268
   54    HA   GLU  10           HA       GLU  10 -13.107  -3.252  -8.281
   55   1HB   GLU  10          1HB       GLU  10 -11.208  -0.986  -9.025
   56   2HB   GLU  10          2HB       GLU  10 -11.273  -2.510  -9.889
   57   1HG   GLU  10          1HG       GLU  10 -13.697  -2.133 -10.381
   58   2HG   GLU  10          2HG       GLU  10 -13.638  -0.612  -9.511
   59    H    ASN  11           H        ASN  11 -11.227  -1.809  -5.788
   60    HA   ASN  11           HA       ASN  11  -8.899  -3.222  -5.886
   61   1HB   ASN  11          1HB       ASN  11  -9.642  -1.427  -4.188
   62   2HB   ASN  11          2HB       ASN  11 -10.524  -2.687  -3.348
   63   1HD2  ASN  11          1HD2      ASN  11  -8.033  -0.958  -2.859
   64   2HD2  ASN  11          2HD2      ASN  11  -6.842  -2.061  -2.256
   65    HA   PRO  12           HA       PRO  12 -10.701  -7.203  -5.577
   66   1HB   PRO  12          1HB       PRO  12  -8.441  -8.710  -5.886
   67   2HB   PRO  12          2HB       PRO  12  -9.324  -8.018  -7.233
   68   1HG   PRO  12          1HG       PRO  12  -6.758  -7.144  -6.053
   69   2HG   PRO  12          2HG       PRO  12  -7.434  -6.754  -7.622
   70   1HD   PRO  12          1HD       PRO  12  -7.366  -5.054  -5.312
   71   2HD   PRO  12          2HD       PRO  12  -8.143  -4.710  -6.844
   72    H    CYS  13           H        CYS  13  -8.602  -5.867  -3.333
   73    HA   CYS  13           HA       CYS  13  -8.618  -8.019  -1.515
   74   1HB   CYS  13          1HB       CYS  13  -8.411  -5.063  -0.910
   75   2HB   CYS  13          2HB       CYS  13  -7.940  -6.385   0.139
   76    H    CYS  14           H        CYS  14 -10.904  -5.505  -2.530
   77    HA   CYS  14           HA       CYS  14 -12.644  -6.221  -0.288
   78   1HB   CYS  14          1HB       CYS  14 -12.454  -3.725  -1.969
   79   2HB   CYS  14          2HB       CYS  14 -13.866  -4.085  -0.996
   80    H    ASP  15           H        ASP  15 -14.906  -6.796  -0.820
   81    HA   ASP  15           HA       ASP  15 -15.485  -7.288  -3.561
   82   1HB   ASP  15          1HB       ASP  15 -16.516  -8.454  -1.497
   83   2HB   ASP  15          2HB       ASP  15 -17.454  -6.994  -1.252
   84    H    ALA  16           H        ALA  16 -17.007  -5.994  -4.859
   85    HA   ALA  16           HA       ALA  16 -16.604  -3.224  -4.450
   86   1HB   ALA  16          1HB       ALA  16 -17.945  -3.034  -6.531
   87   2HB   ALA  16          2HB       ALA  16 -16.666  -4.264  -6.673
   88   3HB   ALA  16          3HB       ALA  16 -18.355  -4.762  -6.411
   89    H    ALA  17           H        ALA  17 -19.192  -5.543  -3.696
   90    HA   ALA  17           HA       ALA  17 -21.256  -3.599  -3.599
   91   1HB   ALA  17          1HB       ALA  17 -22.573  -5.461  -2.675
   92   2HB   ALA  17          2HB       ALA  17 -21.617  -6.004  -4.076
   93   3HB   ALA  17          3HB       ALA  17 -21.084  -6.404  -2.425
   94    H    THR  18           H        THR  18 -19.121  -5.208  -1.169
   95    HA   THR  18           HA       THR  18 -20.473  -3.755   0.961
   96    HB   THR  18           HB       THR  18 -19.120  -5.277   2.395
   97    HG1  THR  18           HG1      THR  18 -17.494  -6.507   1.335
   98   1HG2  THR  18          1HG2      THR  18 -20.046  -6.909  -0.015
   99   2HG2  THR  18          2HG2      THR  18 -20.001  -7.413   1.691
  100   3HG2  THR  18          3HG2      THR  18 -21.201  -6.214   1.149
  101    H    CYS  19           H        CYS  19 -17.618  -3.545  -1.055
  102    HA   CYS  19           HA       CYS  19 -16.036  -2.022  -1.164
  103   1HB   CYS  19          1HB       CYS  19 -18.044  -0.525  -0.278
  104   2HB   CYS  19          2HB       CYS  19 -17.031  -0.418   1.149
  105    H    LYS  20           H        LYS  20 -15.910  -4.460   0.540
  106    HA   LYS  20           HA       LYS  20 -14.263  -3.560   2.767
  107   1HB   LYS  20          1HB       LYS  20 -16.978  -3.888   3.124
  108   2HB   LYS  20          2HB       LYS  20 -16.356  -5.459   3.584
  109   1HG   LYS  20          1HG       LYS  20 -16.081  -4.389   5.615
  110   2HG   LYS  20          2HG       LYS  20 -14.541  -3.960   4.897
  111   1HD   LYS  20          1HD       LYS  20 -15.343  -1.876   5.658
  112   2HD   LYS  20          2HD       LYS  20 -15.783  -1.854   3.962
  113   1HE   LYS  20          1HE       LYS  20 -17.805  -1.203   4.948
  114   2HE   LYS  20          2HE       LYS  20 -18.055  -2.930   4.797
  115   1HZ   LYS  20          1HZ       LYS  20 -17.401  -3.206   7.103
  116   2HZ   LYS  20          2HZ       LYS  20 -17.017  -1.631   7.259
  117    H    LEU  21           H        LEU  21 -13.127  -5.404   3.830
  118    HA   LEU  21           HA       LEU  21 -11.910  -6.815   1.746
  119   1HB   LEU  21          1HB       LEU  21 -11.680  -7.201   4.733
  120   2HB   LEU  21          2HB       LEU  21 -10.577  -7.838   3.530
  121    HG   LEU  21           HG       LEU  21 -11.072  -4.872   3.742
  122   1HD1  LEU  21          1HD1      LEU  21  -9.176  -4.677   5.270
  123   2HD1  LEU  21          2HD1      LEU  21 -10.495  -5.626   5.998
  124   3HD1  LEU  21          3HD1      LEU  21  -9.052  -6.450   5.361
  125   1HD2  LEU  21          1HD2      LEU  21  -9.913  -5.724   1.750
  126   2HD2  LEU  21          2HD2      LEU  21  -8.853  -4.707   2.756
  127   3HD2  LEU  21          3HD2      LEU  21  -8.683  -6.479   2.792
  128    H    ARG  22           H        ARG  22 -12.551  -8.644   0.710
  129    HA   ARG  22           HA       ARG  22 -14.396 -10.407   1.904
  130   1HB   ARG  22          1HB       ARG  22 -12.469 -10.954  -0.408
  131   2HB   ARG  22          2HB       ARG  22 -13.935 -11.845  -0.050
  132   1HG   ARG  22          1HG       ARG  22 -15.286 -10.268  -1.018
  133   2HG   ARG  22          2HG       ARG  22 -14.396  -8.932  -0.316
  134   1HD   ARG  22          1HD       ARG  22 -14.255  -9.041  -2.846
  135   2HD   ARG  22          2HD       ARG  22 -12.693  -9.037  -2.051
  136    HE   ARG  22           HE       ARG  22 -12.325 -11.240  -2.781
  137   1HH1  ARG  22          2HH2      ARG  22 -15.748 -10.430  -3.206
  138   2HH1  ARG  22          1HH2      ARG  22 -16.097 -11.851  -4.134
  139   1HH2  ARG  22          1HH1      ARG  22 -14.343 -13.422  -4.578
  140    HA   PRO  23           HA       PRO  23 -10.759 -13.264   1.802
  141   1HB   PRO  23          1HB       PRO  23  -8.172 -12.460   1.447
  142   2HB   PRO  23          2HB       PRO  23  -9.248 -12.838   0.118
  143   1HG   PRO  23          1HG       PRO  23  -8.350 -10.190   1.078
  144   2HG   PRO  23          2HG       PRO  23  -9.059 -10.615  -0.467
  145   1HD   PRO  23          1HD       PRO  23 -10.371  -9.308   1.723
  146   2HD   PRO  23          2HD       PRO  23 -11.109  -9.835   0.224
  147    H    GLY  24           H        GLY  24  -8.655 -14.157   3.056
  148   1HA   GLY  24          1HA       GLY  24  -8.700 -13.153   5.738
  149   2HA   GLY  24          2HA       GLY  24  -7.577 -14.305   5.041
  150    H    ALA  25           H        ALA  25  -8.430 -10.771   4.861
  151    HA   ALA  25           HA       ALA  25  -5.592 -10.277   4.271
  152   1HB   ALA  25          1HB       ALA  25  -6.675  -9.678   2.302
  153   2HB   ALA  25          2HB       ALA  25  -8.156  -9.167   3.148
  154   3HB   ALA  25          3HB       ALA  25  -6.706  -8.136   3.191
  155    H    GLN  26           H        GLN  26  -4.905  -7.975   4.931
  156    HA   GLN  26           HA       GLN  26  -6.119  -7.408   7.507
  157   1HB   GLN  26          1HB       GLN  26  -3.444  -6.542   6.326
  158   2HB   GLN  26          2HB       GLN  26  -4.021  -6.075   7.914
  159   1HG   GLN  26          1HG       GLN  26  -4.117  -8.455   8.611
  160   2HG   GLN  26          2HG       GLN  26  -3.633  -8.967   7.007
  161   1HE2  GLN  26          1HE2      GLN  26  -2.645  -7.830  10.065
  162   2HE2  GLN  26          2HE2      GLN  26  -0.936  -7.749   9.800
  163    H    CYS  27           H        CYS  27  -4.975  -5.807   4.458
  164    HA   CYS  27           HA       CYS  27  -6.780  -3.601   5.088
  165   1HB   CYS  27          1HB       CYS  27  -5.010  -2.017   4.277
  166   2HB   CYS  27          2HB       CYS  27  -4.744  -2.730   5.855
  167    H    GLY  28           H        GLY  28  -6.776  -2.087   2.948
  168   1HA   GLY  28          1HA       GLY  28  -6.861  -3.910   0.618
  169   2HA   GLY  28          2HA       GLY  28  -7.973  -2.582   0.891
  170    H    GLU  29           H        GLU  29  -6.253  -0.511   1.749
  171    HA   GLU  29           HA       GLU  29  -4.518  -0.233  -0.574
  172   1HB   GLU  29          1HB       GLU  29  -6.932   1.310   0.108
  173   2HB   GLU  29          2HB       GLU  29  -5.531   2.340  -0.107
  174   1HG   GLU  29          1HG       GLU  29  -6.136   0.157  -2.129
  175   2HG   GLU  29          2HG       GLU  29  -6.990   1.686  -2.207
  176    H    GLY  30           H        GLY  30  -3.074   1.868  -0.274
  177   1HA   GLY  30          1HA       GLY  30  -2.103   3.228   1.566
  178   2HA   GLY  30          2HA       GLY  30  -2.092   1.756   2.517
  179    H    LEU  31           H        LEU  31   0.177   3.520   1.593
  180    HA   LEU  31           HA       LEU  31   1.490   2.365  -0.577
  181   1HB   LEU  31          1HB       LEU  31   2.514   3.940   1.786
  182   2HB   LEU  31          2HB       LEU  31   3.496   3.502   0.403
  183    HG   LEU  31           HG       LEU  31   0.939   5.076   0.089
  184   1HD1  LEU  31          1HD1      LEU  31   2.305   7.131   0.090
  185   2HD1  LEU  31          2HD1      LEU  31   2.285   6.320   1.674
  186   3HD1  LEU  31          3HD1      LEU  31   3.711   6.178   0.618
  187   1HD2  LEU  31          1HD2      LEU  31   3.402   4.728  -1.639
  188   2HD2  LEU  31          2HD2      LEU  31   1.763   4.109  -1.952
  189   3HD2  LEU  31          3HD2      LEU  31   2.073   5.861  -1.981
  190    H    CYS  32           H        CYS  32   1.253   1.452   2.852
  191    HA   CYS  32           HA       CYS  32   3.524  -0.336   2.527
  192   1HB   CYS  32          1HB       CYS  32   3.507   1.168   4.460
  193   2HB   CYS  32          2HB       CYS  32   1.989   0.482   5.003
  194    H    CYS  33           H        CYS  33   0.252  -0.329   1.915
  195    HA   CYS  33           HA       CYS  33  -0.313  -2.923   3.044
  196   1HB   CYS  33          1HB       CYS  33  -2.004  -1.082   2.953
  197   2HB   CYS  33          2HB       CYS  33  -2.012  -1.226   1.206
  198    H    GLU  34           H        GLU  34   1.020  -4.438   1.981
  199    HA   GLU  34           HA       GLU  34   0.695  -4.496  -0.916
  200   1HB   GLU  34          1HB       GLU  34   2.964  -5.230   0.911
  201   2HB   GLU  34          2HB       GLU  34   2.761  -6.194  -0.539
  202   1HG   GLU  34          1HG       GLU  34   4.267  -4.338  -1.045
  203   2HG   GLU  34          2HG       GLU  34   2.768  -4.094  -1.920
  204    H    GLN  35           H        GLN  35  -0.282  -6.275  -1.867
  205    HA   GLN  35           HA       GLN  35  -1.452  -8.097  -2.030
  206   1HB   GLN  35          1HB       GLN  35   0.934  -8.915  -0.973
  207   2HB   GLN  35          2HB       GLN  35  -0.159  -9.534   0.248
  208   1HG   GLN  35          1HG       GLN  35  -0.416 -10.065  -2.750
  209   2HG   GLN  35          2HG       GLN  35   0.274 -11.186  -1.593
  210   1HE2  GLN  35          1HE2      GLN  35  -1.052 -11.998   0.119
  211   2HE2  GLN  35          2HE2      GLN  35  -2.763 -12.169  -0.082
  212    H    CYS  36           H        CYS  36  -2.467  -5.993  -0.306
  213    HA   CYS  36           HA       CYS  36  -4.237  -5.651   0.945
  214   1HB   CYS  36          1HB       CYS  36  -4.797  -8.609   1.063
  215   2HB   CYS  36          2HB       CYS  36  -5.928  -7.279   1.217
  216    H    LYS  37           H        LYS  37  -1.450  -6.468   1.959
  217    HA   LYS  37           HA       LYS  37  -2.242  -7.081   4.702
  218   1HB   LYS  37          1HB       LYS  37  -0.276  -8.647   3.022
  219   2HB   LYS  37          2HB       LYS  37  -0.211  -8.648   4.774
  220   1HG   LYS  37          1HG       LYS  37  -2.510  -9.507   4.919
  221   2HG   LYS  37          2HG       LYS  37  -2.724  -9.348   3.186
  222   1HD   LYS  37          1HD       LYS  37  -0.893 -11.019   2.811
  223   2HD   LYS  37          2HD       LYS  37  -0.693 -11.185   4.544
  224   1HE   LYS  37          1HE       LYS  37  -3.326 -11.735   3.096
  225   2HE   LYS  37          2HE       LYS  37  -2.145 -12.979   3.457
  226   1HZ   LYS  37          1HZ       LYS  37  -3.982 -12.630   5.160
  227   2HZ   LYS  37          2HZ       LYS  37  -2.472 -12.667   5.770
  228    H    PHE  38           H        PHE  38  -0.408  -6.601   6.261
  229    HA   PHE  38           HA       PHE  38   0.730  -4.081   5.512
  230   1HB   PHE  38          1HB       PHE  38   0.639  -5.929   7.947
  231   2HB   PHE  38          2HB       PHE  38   1.708  -4.541   7.966
  232    HD1  PHE  38           HD1      PHE  38  -1.844  -5.201   6.985
  233    HD2  PHE  38           HD2      PHE  38   0.881  -2.722   9.093
  234    HE1  PHE  38           HE1      PHE  38  -3.747  -3.746   7.734
  235    HE2  PHE  38           HE2      PHE  38  -1.023  -1.267   9.841
  236    HZ   PHE  38           HZ       PHE  38  -3.314  -1.796   9.153
  237    H    SER  39           H        SER  39   2.647  -3.856   4.470
  238    HA   SER  39           HA       SER  39   4.292  -6.058   4.032
  239   1HB   SER  39          1HB       SER  39   4.524  -4.501   2.342
  240   2HB   SER  39          2HB       SER  39   4.348  -3.132   3.423
  241    HG   SER  39           HG       SER  39   6.520  -3.291   2.602
  242    H    ARG  40           H        ARG  40   6.811  -5.918   4.542
  243    HA   ARG  40           HA       ARG  40   6.666  -6.334   7.318
  244   1HB   ARG  40          1HB       ARG  40   7.923  -7.775   5.612
  245   2HB   ARG  40          2HB       ARG  40   9.130  -6.509   5.516
  246   1HG   ARG  40          1HG       ARG  40   9.465  -6.715   8.026
  247   2HG   ARG  40          2HG       ARG  40   8.358  -8.074   8.024
  248   1HD   ARG  40          1HD       ARG  40   9.847  -9.300   6.436
  249   2HD   ARG  40          2HD       ARG  40  10.945  -7.933   6.397
  250    HE   ARG  40           HE       ARG  40  10.665  -9.888   8.562
  251   1HH1  ARG  40          2HH2      ARG  40  11.667  -6.571   7.827
  252   2HH1  ARG  40          1HH2      ARG  40  12.841  -6.512   9.099
  253   1HH2  ARG  40          1HH1      ARG  40  13.100  -8.405  10.546
  254    H    ALA  41           H        ALA  41   7.776  -5.237   9.018
  255    HA   ALA  41           HA       ALA  41   8.301  -2.555   8.796
  256   1HB   ALA  41          1HB       ALA  41   9.428  -2.820  10.963
  257   2HB   ALA  41          2HB       ALA  41   7.955  -3.817  10.903
  258   3HB   ALA  41          3HB       ALA  41   9.553  -4.575  10.701
  259    H    GLY  42           H        GLY  42   9.872  -1.379   7.811
  260   1HA   GLY  42          1HA       GLY  42  12.147  -0.825   7.655
  261   2HA   GLY  42          2HA       GLY  42  12.580  -2.521   7.745
  262    H    LYS  43           H        LYS  43  10.048  -2.855   5.782
  263    HA   LYS  43           HA       LYS  43  11.680  -2.967   3.449
  264   1HB   LYS  43          1HB       LYS  43   9.899  -4.625   4.075
  265   2HB   LYS  43          2HB       LYS  43   8.694  -3.405   3.717
  266   1HG   LYS  43          1HG       LYS  43   9.366  -3.288   1.388
  267   2HG   LYS  43          2HG       LYS  43  10.818  -4.222   1.690
  268   1HD   LYS  43          1HD       LYS  43   8.104  -5.427   2.309
  269   2HD   LYS  43          2HD       LYS  43   8.685  -5.404   0.656
  270   1HE   LYS  43          1HE       LYS  43  10.762  -6.601   1.358
  271   2HE   LYS  43          2HE       LYS  43  10.207  -6.604   3.021
  272   1HZ   LYS  43          1HZ       LYS  43   8.829  -7.944   0.756
  273   2HZ   LYS  43          2HZ       LYS  43   9.645  -8.693   1.949
  274    H    ILE  44           H        ILE  44  11.424  -1.770   1.482
  275    HA   ILE  44           HA       ILE  44  11.004   0.979   2.064
  276    HB   ILE  44           HB       ILE  44  11.583  -0.394  -0.562
  277   1HG1  ILE  44          1HG1      ILE  44  13.330  -1.063   0.851
  278   2HG1  ILE  44          2HG1      ILE  44  13.965   0.322  -0.015
  279   1HG2  ILE  44          1HG2      ILE  44  10.808   1.822  -0.978
  280   2HG2  ILE  44          2HG2      ILE  44  11.816   2.488   0.328
  281   3HG2  ILE  44          3HG2      ILE  44  12.580   1.834  -1.139
  282   1HD1  ILE  44          1HD1      ILE  44  13.145   1.750   1.997
  283   2HD1  ILE  44          2HD1      ILE  44  12.974   0.200   2.856
  284   3HD1  ILE  44          3HD1      ILE  44  14.569   0.714   2.254
  285    H    CYS  45           H        CYS  45   9.133   2.092   1.986
  286    HA   CYS  45           HA       CYS  45   6.899   0.830   0.626
  287   1HB   CYS  45          1HB       CYS  45   5.513   2.457   1.798
  288   2HB   CYS  45          2HB       CYS  45   6.498   1.516   2.899
  289    H    ARG  46           H        ARG  46   9.185   3.552   0.479
  290    HA   ARG  46           HA       ARG  46   7.767   4.544  -1.843
  291   1HB   ARG  46          1HB       ARG  46   7.310   5.790   0.492
  292   2HB   ARG  46          2HB       ARG  46   8.858   6.539   0.156
  293   1HG   ARG  46          1HG       ARG  46   8.073   7.506  -1.903
  294   2HG   ARG  46          2HG       ARG  46   6.658   6.473  -1.945
  295   1HD   ARG  46          1HD       ARG  46   5.941   8.685  -1.220
  296   2HD   ARG  46          2HD       ARG  46   5.813   7.606   0.155
  297    HE   ARG  46           HE       ARG  46   8.392   9.014  -0.050
  298   1HH1  ARG  46          2HH2      ARG  46   5.081   9.245   1.185
  299   2HH1  ARG  46          1HH2      ARG  46   5.531  10.167   2.579
  300   1HH2  ARG  46          1HH1      ARG  46   7.797  10.938   2.780
  301    H    ILE  47           H        ILE  47   9.156   5.739  -3.342
  302    HA   ILE  47           HA       ILE  47  11.991   5.275  -2.885
  303    HB   ILE  47           HB       ILE  47  10.488   6.232  -5.325
  304   1HG1  ILE  47          1HG1      ILE  47  10.010   3.875  -4.522
  305   2HG1  ILE  47          2HG1      ILE  47  10.592   4.036  -6.167
  306   1HG2  ILE  47          1HG2      ILE  47  13.392   5.444  -4.961
  307   2HG2  ILE  47          2HG2      ILE  47  12.592   5.727  -6.526
  308   3HG2  ILE  47          3HG2      ILE  47  12.758   7.060  -5.357
  309   1HD1  ILE  47          1HD1      ILE  47  12.428   3.447  -3.803
  310   2HD1  ILE  47          2HD1      ILE  47  11.706   2.185  -4.830
  311   3HD1  ILE  47          3HD1      ILE  47  12.840   3.364  -5.532
  312    HA   PRO  48           HA       PRO  48  12.586   9.512  -1.920
  313   1HB   PRO  48          1HB       PRO  48  15.313   9.452  -1.742
  314   2HB   PRO  48          2HB       PRO  48  14.257   9.053  -0.402
  315   1HG   PRO  48          1HG       PRO  48  15.837   7.239  -2.119
  316   2HG   PRO  48          2HG       PRO  48  15.131   6.924  -0.547
  317   1HD   PRO  48          1HD       PRO  48  14.131   6.039  -3.086
  318   2HD   PRO  48          2HD       PRO  48  13.365   5.823  -1.525
  319    H    ARG  49           H        ARG  49  12.605  11.316  -3.146
  320    HA   ARG  49           HA       ARG  49  13.691  11.025  -5.757
  321   1HB   ARG  49          1HB       ARG  49  11.672  12.446  -5.250
  322   2HB   ARG  49          2HB       ARG  49  12.679  13.520  -4.299
  323   1HG   ARG  49          1HG       ARG  49  14.034  14.081  -6.290
  324   2HG   ARG  49          2HG       ARG  49  13.145  12.924  -7.258
  325   1HD   ARG  49          1HD       ARG  49  11.041  14.219  -6.904
  326   2HD   ARG  49          2HD       ARG  49  11.904  15.362  -5.892
  327    HE   ARG  49           HE       ARG  49  11.994  15.204  -8.814
  328   1HH1  ARG  49          2HH2      ARG  49  13.765  16.295  -5.947
  329   2HH1  ARG  49          1HH2      ARG  49  14.616  17.542  -6.793
  330   1HH2  ARG  49          1HH1      ARG  49  14.245  17.829  -9.144
  331    H    GLY  50           H        GLY  50  15.963  10.648  -5.478
  332   1HA   GLY  50          1HA       GLY  50  18.097  11.377  -5.504
  333   2HA   GLY  50          2HA       GLY  50  17.519  13.020  -5.309
  334    H    ASP  51           H        ASP  51  16.924  13.764  -3.020
  335    HA   ASP  51           HA       ASP  51  19.349  12.901  -1.698
  336   1HB   ASP  51          1HB       ASP  51  19.242  15.190  -0.639
  337   2HB   ASP  51          2HB       ASP  51  19.349  15.225  -2.388
  338    H    MET  52           H        MET  52  16.111  12.288  -1.473
  339    HA   MET  52           HA       MET  52  15.758  12.887   1.308
  340   1HB   MET  52          1HB       MET  52  14.091  11.726  -0.950
  341   2HB   MET  52          2HB       MET  52  13.552  11.462   0.696
  342   1HG   MET  52          1HG       MET  52  14.047  14.131   0.858
  343   2HG   MET  52          2HG       MET  52  13.717  14.030  -0.860
  344   1HE   MET  52          1HE       MET  52  11.611  13.175  -1.922
  345   2HE   MET  52          2HE       MET  52  11.594  11.613  -1.068
  346   3HE   MET  52          3HE       MET  52  10.141  12.641  -1.072
  347    HA   PRO  53           HA       PRO  53  16.476   8.736   2.681
  348   1HB   PRO  53          1HB       PRO  53  14.788   8.562   4.823
  349   2HB   PRO  53          2HB       PRO  53  16.380   9.289   4.914
  350   1HG   PRO  53          1HG       PRO  53  13.738  10.614   4.861
  351   2HG   PRO  53          2HG       PRO  53  15.284  11.266   5.371
  352   1HD   PRO  53          1HD       PRO  53  13.933  11.786   2.894
  353   2HD   PRO  53          2HD       PRO  53  15.530  12.343   3.355
  354    H    ASP  54           H        ASP  54  15.843   6.643   2.282
  355    HA   ASP  54           HA       ASP  54  13.471   6.371   0.828
  356   1HB   ASP  54          1HB       ASP  54  13.930   3.860   1.253
  357   2HB   ASP  54          2HB       ASP  54  15.162   4.760   0.390
  358    H    ASP  55           H        ASP  55  11.377   6.115   1.641
  359    HA   ASP  55           HA       ASP  55  11.089   6.156   4.464
  360   1HB   ASP  55          1HB       ASP  55   9.650   7.434   2.794
  361   2HB   ASP  55          2HB       ASP  55   8.950   5.906   2.299
  362    H    ARG  56           H        ARG  56   9.950   4.477   5.736
  363    HA   ARG  56           HA       ARG  56  10.167   1.907   4.391
  364   1HB   ARG  56          1HB       ARG  56  11.383   2.789   7.047
  365   2HB   ARG  56          2HB       ARG  56  11.175   1.095   6.650
  366   1HG   ARG  56          1HG       ARG  56  12.668   1.232   4.770
  367   2HG   ARG  56          2HG       ARG  56  12.612   2.984   4.748
  368   1HD   ARG  56          1HD       ARG  56  13.786   3.053   6.959
  369   2HD   ARG  56          2HD       ARG  56  13.833   1.302   6.991
  370    HE   ARG  56           HE       ARG  56  14.989   2.090   4.529
  371   1HH1  ARG  56          2HH2      ARG  56  15.704   2.314   7.991
  372   2HH1  ARG  56          1HH2      ARG  56  17.410   2.500   7.755
  373   1HH2  ARG  56          1HH1      ARG  56  18.293   2.490   5.527
  374    H    CYS  57           H        CYS  57   8.800   0.204   5.273
  375    HA   CYS  57           HA       CYS  57   6.404   1.087   6.418
  376   1HB   CYS  57          1HB       CYS  57   7.619  -1.590   5.837
  377   2HB   CYS  57          2HB       CYS  57   6.182  -1.501   6.837
  378    H    THR  58           H        THR  58   5.736   1.158   8.601
  379    HA   THR  58           HA       THR  58   7.650   0.581  10.665
  380    HB   THR  58           HB       THR  58   5.303   0.978  11.962
  381    HG1  THR  58           HG1      THR  58   3.883   2.074  10.511
  382   1HG2  THR  58          1HG2      THR  58   5.636   3.442  11.735
  383   2HG2  THR  58          2HG2      THR  58   7.195   2.621  11.989
  384   3HG2  THR  58          3HG2      THR  58   6.732   3.165  10.359
  385    H    GLY  59           H        GLY  59   5.125  -1.170   8.928
  386   1HA   GLY  59          1HA       GLY  59   4.603  -3.390   9.077
  387   2HA   GLY  59          2HA       GLY  59   5.653  -3.563  10.470
  388    H    GLN  60           H        GLN  60   3.713  -0.792  10.903
  389    HA   GLN  60           HA       GLN  60   1.562  -2.362  12.073
  390   1HB   GLN  60          1HB       GLN  60   3.212  -0.194  13.412
  391   2HB   GLN  60          2HB       GLN  60   1.582  -0.544  13.953
  392   1HG   GLN  60          1HG       GLN  60   3.747  -2.680  13.694
  393   2HG   GLN  60          2HG       GLN  60   3.436  -1.807  15.181
  394   1HE2  GLN  60          1HE2      GLN  60   2.518  -4.354  13.126
  395   2HE2  GLN  60          2HE2      GLN  60   1.126  -4.928  13.981
  396    H    SER  61           H        SER  61   2.047  -0.682   9.541
  397    HA   SER  61           HA       SER  61  -0.236   1.049   9.903
  398   1HB   SER  61          1HB       SER  61   2.239   2.141   8.532
  399   2HB   SER  61          2HB       SER  61   0.839   3.023   9.107
  400    HG   SER  61           HG       SER  61   1.487   2.525  11.306
  401    H    ALA  62           H        ALA  62  -1.496   1.223   8.008
  402    HA   ALA  62           HA       ALA  62  -0.802  -0.633   5.922
  403   1HB   ALA  62          1HB       ALA  62  -3.061  -0.046   5.081
  404   2HB   ALA  62          2HB       ALA  62  -3.092  -0.492   6.805
  405   3HB   ALA  62          3HB       ALA  62  -3.185   1.220   6.325
  406    H    ASP  63           H        ASP  63  -1.234   2.945   6.316
  407    HA   ASP  63           HA       ASP  63   0.169   3.259   3.808
  408   1HB   ASP  63          1HB       ASP  63  -1.808   4.733   4.512
  409   2HB   ASP  63          2HB       ASP  63  -0.781   5.402   5.763
  410    H    CYS  64           H        CYS  64   2.135   4.804   3.849
  411    HA   CYS  64           HA       CYS  64   3.838   3.959   5.998
  412   1HB   CYS  64          1HB       CYS  64   4.243   4.373   3.336
  413   2HB   CYS  64          2HB       CYS  64   4.876   5.867   3.998
  414    HA   PRO  65           HA       PRO  65   3.595   7.860   8.060
  415   1HB   PRO  65          1HB       PRO  65   5.779   7.631   9.687
  416   2HB   PRO  65          2HB       PRO  65   4.211   6.958  10.087
  417   1HG   PRO  65          1HG       PRO  65   6.644   5.561   9.157
  418   2HG   PRO  65          2HG       PRO  65   5.232   4.896   9.954
  419   1HD   PRO  65          1HD       PRO  65   5.866   4.721   7.162
  420   2HD   PRO  65          2HD       PRO  65   4.402   4.158   7.942
  421    H    ARG  66           H        ARG  66   7.067   7.288   7.856
  422    HA   ARG  66           HA       ARG  66   7.366   9.421   6.030
  423   1HB   ARG  66          1HB       ARG  66   6.768  10.675   8.130
  424   2HB   ARG  66          2HB       ARG  66   8.115   9.918   8.956
  425   1HG   ARG  66          1HG       ARG  66   9.292  11.758   8.278
  426   2HG   ARG  66          2HG       ARG  66   9.402  10.923   6.741
  427   1HD   ARG  66          1HD       ARG  66   7.059  12.756   7.412
  428   2HD   ARG  66          2HD       ARG  66   8.534  13.368   6.693
  429    HE   ARG  66           HE       ARG  66   7.904  11.273   5.023
  430   1HH1  ARG  66          2HH2      ARG  66   6.259  14.234   6.036
  431   2HH1  ARG  66          1HH2      ARG  66   5.086  14.174   4.763
  432   1HH2  ARG  66          1HH1      ARG  66   5.227  12.426   3.127
  433    H    TYR  67           H        TYR  67   9.089   8.049   8.951
  434    HA   TYR  67           HA       TYR  67  10.636   6.389   7.188
  435   1HB   TYR  67          1HB       TYR  67  11.833   8.653   7.313
  436   2HB   TYR  67          2HB       TYR  67  11.863   8.511   9.059
  437    HD1  TYR  67           HD1      TYR  67  13.536   7.213  10.172
  438    HD2  TYR  67           HD2      TYR  67  13.184   7.050   5.912
  439    HE1  TYR  67           HE1      TYR  67  15.760   5.990  10.027
  440    HE2  TYR  67           HE2      TYR  67  15.409   5.828   5.782
  441    HH   TYR  67           HH       TYR  67  17.041   4.945   6.881
  442    H    HIS  68           H        HIS  68   8.644   6.347   9.625
  443    HA   HIS  68           HA       HIS  68   9.930   4.843  11.556
  444   1HB   HIS  68          1HB       HIS  68  11.495   6.624  11.866
  445   2HB   HIS  68          2HB       HIS  68  10.225   7.830  11.915
  446    HD1  HIS  68           HD1      HIS  68  11.042   4.656  13.932
  447    HD2  HIS  68           HD2      HIS  68   9.722   8.601  14.473
  448    HE1  HIS  68           HE1      HIS  68  10.755   4.976  16.448
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1 -25.330   4.765   8.146
    2   2H    GLY   1          2H        GLY   1 -24.617   3.460   8.874
    3   3H    GLY   1          3H        GLY   1 -24.621   4.932   9.633
    4   1HA   GLY   1          1HA       GLY   1 -23.444   5.637   7.419
    5   2HA   GLY   1          2HA       GLY   1 -22.580   5.111   8.849
    6    H    LYS   2           H        LYS   2 -21.502   4.814   6.223
    7    HA   LYS   2           HA       LYS   2 -20.951   1.995   6.513
    8   1HB   LYS   2          1HB       LYS   2 -21.281   1.420   4.205
    9   2HB   LYS   2          2HB       LYS   2 -22.782   2.063   4.841
   10   1HG   LYS   2          1HG       LYS   2 -22.758   3.431   3.014
   11   2HG   LYS   2          2HG       LYS   2 -21.579   4.371   3.910
   12   1HD   LYS   2          1HD       LYS   2 -20.455   4.002   1.879
   13   2HD   LYS   2          2HD       LYS   2 -19.806   2.721   2.884
   14   1HE   LYS   2          1HE       LYS   2 -21.604   1.173   1.948
   15   2HE   LYS   2          2HE       LYS   2 -22.067   2.454   0.847
   16   1HZ   LYS   2          1HZ       LYS   2 -19.383   1.186   0.969
   17   2HZ   LYS   2          2HZ       LYS   2 -20.478   0.986  -0.218
   18    H    GLU   3           H        GLU   3 -18.829   1.441   5.787
   19    HA   GLU   3           HA       GLU   3 -17.312   3.701   4.757
   20   1HB   GLU   3          1HB       GLU   3 -16.899   2.228   7.295
   21   2HB   GLU   3          2HB       GLU   3 -15.453   2.339   6.311
   22   1HG   GLU   3          1HG       GLU   3 -17.201   4.752   6.970
   23   2HG   GLU   3          2HG       GLU   3 -15.829   4.273   7.950
   24    H    CYS   4           H        CYS   4 -15.006   2.812   3.990
   25    HA   CYS   4           HA       CYS   4 -15.422   0.160   2.822
   26   1HB   CYS   4          1HB       CYS   4 -14.286   2.585   1.414
   27   2HB   CYS   4          2HB       CYS   4 -14.274   0.953   0.776
   28    H    ASP   5           H        ASP   5 -13.624  -1.199   3.040
   29    HA   ASP   5           HA       ASP   5 -11.420  -0.205   4.526
   30   1HB   ASP   5          1HB       ASP   5 -12.162  -2.861   3.260
   31   2HB   ASP   5          2HB       ASP   5 -10.541  -2.620   3.878
   32    H    CYS   6           H        CYS   6 -12.354  -0.540   1.169
   33    HA   CYS   6           HA       CYS   6  -9.591   0.039   0.385
   34   1HB   CYS   6          1HB       CYS   6 -11.808  -1.022  -1.377
   35   2HB   CYS   6          2HB       CYS   6 -10.139  -0.752  -1.837
   36    H    SER   7           H        SER   7  -9.536   1.614  -1.592
   37    HA   SER   7           HA       SER   7 -11.504   3.680  -1.147
   38   1HB   SER   7          1HB       SER   7  -9.016   3.689  -2.915
   39   2HB   SER   7          2HB       SER   7 -10.012   5.083  -2.546
   40    HG   SER   7           HG       SER   7  -8.627   3.504  -0.549
   41    H    SER   8           H        SER   8 -10.673   1.088  -3.352
   42    HA   SER   8           HA       SER   8 -12.382   2.286  -5.386
   43   1HB   SER   8          1HB       SER   8 -10.497  -0.034  -5.889
   44   2HB   SER   8          2HB       SER   8 -11.158   1.105  -7.047
   45    HG   SER   8           HG       SER   8  -9.204   1.694  -4.989
   46    HA   PRO   9           HA       PRO   9 -15.054  -1.176  -4.790
   47   1HB   PRO   9          1HB       PRO   9 -16.583  -0.946  -7.044
   48   2HB   PRO   9          2HB       PRO   9 -16.895  -0.037  -5.578
   49   1HG   PRO   9          1HG       PRO   9 -15.703   0.894  -8.118
   50   2HG   PRO   9          2HG       PRO   9 -16.405   1.842  -6.821
   51   1HD   PRO   9          1HD       PRO   9 -13.611   1.486  -7.369
   52   2HD   PRO   9          2HD       PRO   9 -14.313   2.336  -6.006
   53    H    GLU  10           H        GLU  10 -12.981  -0.753  -7.472
   54    HA   GLU  10           HA       GLU  10 -13.569  -3.361  -8.483
   55   1HB   GLU  10          1HB       GLU  10 -11.500  -1.267  -9.275
   56   2HB   GLU  10          2HB       GLU  10 -11.702  -2.792 -10.113
   57   1HG   GLU  10          1HG       GLU  10 -14.077  -2.218 -10.615
   58   2HG   GLU  10          2HG       GLU  10 -13.906  -0.706  -9.745
   59    H    ASN  11           H        ASN  11 -11.792  -2.160  -5.886
   60    HA   ASN  11           HA       ASN  11  -9.385  -3.487  -6.133
   61   1HB   ASN  11          1HB       ASN  11 -10.054  -1.696  -4.410
   62   2HB   ASN  11          2HB       ASN  11 -10.908  -2.948  -3.532
   63   1HD2  ASN  11          1HD2      ASN  11  -8.167  -1.245  -3.599
   64   2HD2  ASN  11          2HD2      ASN  11  -7.037  -2.342  -2.876
   65    HA   PRO  12           HA       PRO  12 -11.022  -7.510  -5.708
   66   1HB   PRO  12          1HB       PRO  12  -8.707  -8.949  -5.889
   67   2HB   PRO  12          2HB       PRO  12  -9.556  -8.322  -7.286
   68   1HG   PRO  12          1HG       PRO  12  -7.069  -7.334  -6.034
   69   2HG   PRO  12          2HG       PRO  12  -7.695  -7.007  -7.638
   70   1HD   PRO  12          1HD       PRO  12  -7.771  -5.246  -5.374
   71   2HD   PRO  12          2HD       PRO  12  -8.498  -4.968  -6.944
   72    H    CYS  13           H        CYS  13  -8.909  -6.121  -3.461
   73    HA   CYS  13           HA       CYS  13  -8.940  -8.241  -1.612
   74   1HB   CYS  13          1HB       CYS  13  -8.667  -5.284  -1.045
   75   2HB   CYS  13          2HB       CYS  13  -8.190  -6.604   0.003
   76    H    CYS  14           H        CYS  14 -11.194  -5.676  -2.594
   77    HA   CYS  14           HA       CYS  14 -12.790  -6.167  -0.198
   78   1HB   CYS  14          1HB       CYS  14 -12.536  -3.816  -2.051
   79   2HB   CYS  14          2HB       CYS  14 -13.978  -4.025  -1.079
   80    H    ASP  15           H        ASP  15 -14.907  -7.057  -0.446
   81    HA   ASP  15           HA       ASP  15 -15.957  -7.749  -2.910
   82   1HB   ASP  15          1HB       ASP  15 -16.872  -8.588  -0.789
   83   2HB   ASP  15          2HB       ASP  15 -17.298  -6.966  -0.282
   84    H    ALA  16           H        ALA  16 -17.166  -6.530  -4.440
   85    HA   ALA  16           HA       ALA  16 -16.750  -3.745  -4.400
   86   1HB   ALA  16          1HB       ALA  16 -18.524  -5.496  -6.151
   87   2HB   ALA  16          2HB       ALA  16 -18.050  -3.818  -6.508
   88   3HB   ALA  16          3HB       ALA  16 -16.816  -5.100  -6.455
   89    H    ALA  17           H        ALA  17 -19.409  -5.887  -3.393
   90    HA   ALA  17           HA       ALA  17 -21.397  -3.858  -3.506
   91   1HB   ALA  17          1HB       ALA  17 -21.916  -6.243  -3.773
   92   2HB   ALA  17          2HB       ALA  17 -21.315  -6.574  -2.130
   93   3HB   ALA  17          3HB       ALA  17 -22.773  -5.580  -2.361
   94    H    THR  18           H        THR  18 -19.683  -5.552  -0.775
   95    HA   THR  18           HA       THR  18 -20.920  -3.673   1.063
   96    HB   THR  18           HB       THR  18 -19.770  -5.293   2.724
   97    HG1  THR  18           HG1      THR  18 -18.333  -6.596   1.665
   98   1HG2  THR  18          1HG2      THR  18 -21.537  -6.600   0.588
   99   2HG2  THR  18          2HG2      THR  18 -21.284  -7.188   2.249
  100   3HG2  THR  18          3HG2      THR  18 -22.159  -5.664   1.969
  101    H    CYS  19           H        CYS  19 -17.963  -3.997  -0.718
  102    HA   CYS  19           HA       CYS  19 -16.474  -2.399  -1.014
  103   1HB   CYS  19          1HB       CYS  19 -18.483  -0.918  -0.116
  104   2HB   CYS  19          2HB       CYS  19 -17.420  -0.709   1.261
  105    H    LYS  20           H        LYS  20 -16.358  -4.708   0.964
  106    HA   LYS  20           HA       LYS  20 -14.369  -3.636   2.820
  107   1HB   LYS  20          1HB       LYS  20 -16.964  -4.005   3.612
  108   2HB   LYS  20          2HB       LYS  20 -16.271  -5.567   3.997
  109   1HG   LYS  20          1HG       LYS  20 -15.622  -4.520   5.934
  110   2HG   LYS  20          2HG       LYS  20 -14.282  -3.957   4.953
  111   1HD   LYS  20          1HD       LYS  20 -15.057  -1.935   5.841
  112   2HD   LYS  20          2HD       LYS  20 -15.912  -1.973   4.312
  113   1HE   LYS  20          1HE       LYS  20 -17.896  -3.015   5.487
  114   2HE   LYS  20          2HE       LYS  20 -17.041  -2.864   7.010
  115   1HZ   LYS  20          1HZ       LYS  20 -16.938  -0.434   6.610
  116   2HZ   LYS  20          2HZ       LYS  20 -17.803  -0.601   5.240
  117    H    LEU  21           H        LEU  21 -13.113  -5.455   3.897
  118    HA   LEU  21           HA       LEU  21 -12.055  -6.947   1.778
  119   1HB   LEU  21          1HB       LEU  21 -11.588  -7.230   4.750
  120   2HB   LEU  21          2HB       LEU  21 -10.575  -7.887   3.480
  121    HG   LEU  21           HG       LEU  21 -11.092  -4.923   3.652
  122   1HD1  LEU  21          1HD1      LEU  21  -8.902  -6.409   5.128
  123   2HD1  LEU  21          2HD1      LEU  21  -9.118  -4.645   5.039
  124   3HD1  LEU  21          3HD1      LEU  21 -10.326  -5.649   5.877
  125   1HD2  LEU  21          1HD2      LEU  21 -10.078  -5.835   1.599
  126   2HD2  LEU  21          2HD2      LEU  21  -8.975  -4.751   2.480
  127   3HD2  LEU  21          3HD2      LEU  21  -8.750  -6.514   2.571
  128    H    ARG  22           H        ARG  22 -12.732  -8.848   0.890
  129    HA   ARG  22           HA       ARG  22 -14.448 -10.571   2.316
  130   1HB   ARG  22          1HB       ARG  22 -12.671 -11.283  -0.064
  131   2HB   ARG  22          2HB       ARG  22 -14.148 -12.090   0.421
  132   1HG   ARG  22          1HG       ARG  22 -15.400 -10.638  -0.790
  133   2HG   ARG  22          2HG       ARG  22 -14.722  -9.271   0.074
  134   1HD   ARG  22          1HD       ARG  22 -14.309  -9.182  -2.415
  135   2HD   ARG  22          2HD       ARG  22 -12.836  -9.127  -1.469
  136    HE   ARG  22           HE       ARG  22 -12.222 -11.222  -2.329
  137   1HH1  ARG  22          2HH2      ARG  22 -15.647 -10.641  -3.023
  138   2HH1  ARG  22          1HH2      ARG  22 -15.814 -12.053  -4.013
  139   1HH2  ARG  22          1HH1      ARG  22 -13.916 -13.475  -4.358
  140    HA   PRO  23           HA       PRO  23 -10.814 -13.388   2.082
  141   1HB   PRO  23          1HB       PRO  23  -8.267 -12.613   1.465
  142   2HB   PRO  23          2HB       PRO  23  -9.455 -13.052   0.254
  143   1HG   PRO  23          1HG       PRO  23  -8.476 -10.364   1.000
  144   2HG   PRO  23          2HG       PRO  23  -9.317 -10.862  -0.456
  145   1HD   PRO  23          1HD       PRO  23 -10.434  -9.441   1.772
  146   2HD   PRO  23          2HD       PRO  23 -11.300 -10.040   0.371
  147    H    GLY  24           H        GLY  24  -8.575 -14.198   3.167
  148   1HA   GLY  24          1HA       GLY  24  -8.487 -13.243   5.844
  149   2HA   GLY  24          2HA       GLY  24  -7.319 -14.271   5.038
  150    H    ALA  25           H        ALA  25  -8.469 -10.814   5.041
  151    HA   ALA  25           HA       ALA  25  -5.713 -10.063   4.338
  152   1HB   ALA  25          1HB       ALA  25  -8.370  -9.272   3.140
  153   2HB   ALA  25          2HB       ALA  25  -6.991  -8.149   3.078
  154   3HB   ALA  25          3HB       ALA  25  -6.866  -9.757   2.323
  155    H    GLN  26           H        GLN  26  -5.110  -7.848   5.024
  156    HA   GLN  26           HA       GLN  26  -6.511  -7.248   7.503
  157   1HB   GLN  26          1HB       GLN  26  -3.634  -6.942   6.613
  158   2HB   GLN  26          2HB       GLN  26  -4.246  -5.951   7.922
  159   1HG   GLN  26          1HG       GLN  26  -4.661  -8.962   7.941
  160   2HG   GLN  26          2HG       GLN  26  -3.151  -8.269   8.495
  161   1HE2  GLN  26          1HE2      GLN  26  -3.289  -6.534  10.125
  162   2HE2  GLN  26          2HE2      GLN  26  -4.486  -6.644  11.371
  163    H    CYS  27           H        CYS  27  -5.389  -5.959   4.384
  164    HA   CYS  27           HA       CYS  27  -6.928  -3.559   4.890
  165   1HB   CYS  27          1HB       CYS  27  -5.079  -2.113   4.049
  166   2HB   CYS  27          2HB       CYS  27  -4.835  -2.780   5.652
  167    H    GLY  28           H        GLY  28  -6.918  -2.227   2.674
  168   1HA   GLY  28          1HA       GLY  28  -6.807  -4.145   0.424
  169   2HA   GLY  28          2HA       GLY  28  -7.919  -2.796   0.543
  170    H    GLU  29           H        GLU  29  -6.266  -0.693   1.434
  171    HA   GLU  29           HA       GLU  29  -4.390  -0.509  -0.781
  172   1HB   GLU  29          1HB       GLU  29  -6.612   1.469  -0.118
  173   2HB   GLU  29          2HB       GLU  29  -5.295   1.826  -1.217
  174   1HG   GLU  29          1HG       GLU  29  -5.981  -0.324  -2.498
  175   2HG   GLU  29          2HG       GLU  29  -7.441  -0.314  -1.528
  176    H    GLY  30           H        GLY  30  -3.072   1.684  -0.552
  177   1HA   GLY  30          1HA       GLY  30  -2.234   3.173   1.253
  178   2HA   GLY  30          2HA       GLY  30  -2.263   1.764   2.294
  179    H    LEU  31           H        LEU  31   0.052   3.470   1.474
  180    HA   LEU  31           HA       LEU  31   1.513   2.336  -0.585
  181   1HB   LEU  31          1HB       LEU  31   2.113   4.032   1.790
  182   2HB   LEU  31          2HB       LEU  31   3.460   3.298   0.944
  183    HG   LEU  31           HG       LEU  31   2.936   5.620   0.223
  184   1HD1  LEU  31          1HD1      LEU  31   2.555   3.616  -2.013
  185   2HD1  LEU  31          2HD1      LEU  31   3.268   5.244  -2.113
  186   3HD1  LEU  31          3HD1      LEU  31   4.114   3.954  -1.224
  187   1HD2  LEU  31          1HD2      LEU  31   0.484   5.490   0.461
  188   2HD2  LEU  31          2HD2      LEU  31   0.986   6.089  -1.139
  189   3HD2  LEU  31          3HD2      LEU  31   0.418   4.412  -0.954
  190    H    CYS  32           H        CYS  32   1.143   1.390   2.851
  191    HA   CYS  32           HA       CYS  32   3.326  -0.506   2.498
  192   1HB   CYS  32          1HB       CYS  32   2.035   0.743   4.911
  193   2HB   CYS  32          2HB       CYS  32   2.989  -0.720   5.057
  194    H    CYS  33           H        CYS  33   0.284  -0.542   1.608
  195    HA   CYS  33           HA       CYS  33  -0.386  -3.070   2.902
  196   1HB   CYS  33          1HB       CYS  33  -2.091  -1.249   2.825
  197   2HB   CYS  33          2HB       CYS  33  -2.089  -1.364   1.077
  198    H    GLU  34           H        GLU  34   0.457  -4.838   1.844
  199    HA   GLU  34           HA       GLU  34   0.129  -4.831  -1.045
  200   1HB   GLU  34          1HB       GLU  34   2.607  -5.650   0.515
  201   2HB   GLU  34          2HB       GLU  34   2.306  -6.234  -1.110
  202   1HG   GLU  34          1HG       GLU  34   2.374  -3.275  -0.355
  203   2HG   GLU  34          2HG       GLU  34   3.750  -4.148  -1.000
  204    H    GLN  35           H        GLN  35  -0.453  -6.882  -1.955
  205    HA   GLN  35           HA       GLN  35  -1.650  -8.694  -1.945
  206   1HB   GLN  35          1HB       GLN  35   0.036  -9.506   0.465
  207   2HB   GLN  35          2HB       GLN  35  -0.886 -10.599  -0.546
  208   1HG   GLN  35          1HG       GLN  35   0.483  -9.880  -2.534
  209   2HG   GLN  35          2HG       GLN  35   1.429  -8.842  -1.487
  210   1HE2  GLN  35          1HE2      GLN  35   2.567  -9.819   0.315
  211   2HE2  GLN  35          2HE2      GLN  35   3.205 -11.424   0.172
  212    H    CYS  36           H        CYS  36  -2.668  -6.395  -0.430
  213    HA   CYS  36           HA       CYS  36  -4.466  -5.914   0.732
  214   1HB   CYS  36          1HB       CYS  36  -5.123  -8.854   0.916
  215   2HB   CYS  36          2HB       CYS  36  -6.222  -7.495   1.048
  216    H    LYS  37           H        LYS  37  -1.772  -6.758   1.929
  217    HA   LYS  37           HA       LYS  37  -2.726  -7.116   4.663
  218   1HB   LYS  37          1HB       LYS  37  -0.787  -8.916   3.211
  219   2HB   LYS  37          2HB       LYS  37  -0.732  -8.735   4.953
  220   1HG   LYS  37          1HG       LYS  37  -3.135  -9.405   5.104
  221   2HG   LYS  37          2HG       LYS  37  -3.204  -9.570   3.360
  222   1HD   LYS  37          1HD       LYS  37  -2.815 -11.787   4.069
  223   2HD   LYS  37          2HD       LYS  37  -1.209 -11.241   3.630
  224   1HE   LYS  37          1HE       LYS  37  -0.713 -10.713   6.012
  225   2HE   LYS  37          2HE       LYS  37  -2.336 -11.187   6.472
  226   1HZ   LYS  37          1HZ       LYS  37  -0.311 -12.993   5.259
  227   2HZ   LYS  37          2HZ       LYS  37  -0.794 -13.018   6.814
  228    H    PHE  38           H        PHE  38  -0.879  -6.642   6.259
  229    HA   PHE  38           HA       PHE  38   0.242  -4.148   5.469
  230   1HB   PHE  38          1HB       PHE  38   0.219  -6.000   7.896
  231   2HB   PHE  38          2HB       PHE  38   1.320  -4.637   7.892
  232    HD1  PHE  38           HD1      PHE  38  -2.246  -5.090   6.855
  233    HD2  PHE  38           HD2      PHE  38   0.542  -2.925   9.210
  234    HE1  PHE  38           HE1      PHE  38  -4.093  -3.596   7.667
  235    HE2  PHE  38           HE2      PHE  38  -1.304  -1.431  10.022
  236    HZ   PHE  38           HZ       PHE  38  -3.599  -1.785   9.241
  237    H    SER  39           H        SER  39   2.375  -3.610   5.004
  238    HA   SER  39           HA       SER  39   3.967  -5.730   4.071
  239   1HB   SER  39          1HB       SER  39   4.376  -3.847   2.810
  240   2HB   SER  39          2HB       SER  39   4.099  -2.753   4.150
  241    HG   SER  39           HG       SER  39   6.485  -4.243   3.520
  242    H    ARG  40           H        ARG  40   6.348  -5.992   4.749
  243    HA   ARG  40           HA       ARG  40   6.420  -6.309   7.557
  244   1HB   ARG  40          1HB       ARG  40   8.581  -7.378   7.171
  245   2HB   ARG  40          2HB       ARG  40   7.494  -7.894   5.896
  246   1HG   ARG  40          1HG       ARG  40   8.445  -6.015   4.443
  247   2HG   ARG  40          2HG       ARG  40   9.633  -5.724   5.698
  248   1HD   ARG  40          1HD       ARG  40  10.421  -8.102   5.491
  249   2HD   ARG  40          2HD       ARG  40   9.248  -8.372   4.217
  250    HE   ARG  40           HE       ARG  40  10.810  -6.076   3.526
  251   1HH1  ARG  40          2HH2      ARG  40  11.197  -9.581   3.873
  252   2HH1  ARG  40          1HH2      ARG  40  12.450  -9.686   2.680
  253   1HH2  ARG  40          1HH1      ARG  40  13.175  -7.693   1.562
  254    H    ALA  41           H        ALA  41   8.325  -5.466   8.906
  255    HA   ALA  41           HA       ALA  41   8.433  -2.657   8.649
  256   1HB   ALA  41          1HB       ALA  41  10.088  -4.532  10.387
  257   2HB   ALA  41          2HB       ALA  41   9.819  -2.793  10.655
  258   3HB   ALA  41          3HB       ALA  41   8.461  -3.935  10.794
  259    H    GLY  42           H        GLY  42   9.849  -1.376   7.526
  260   1HA   GLY  42          1HA       GLY  42  12.086  -0.700   7.313
  261   2HA   GLY  42          2HA       GLY  42  12.605  -2.373   7.301
  262    H    LYS  43           H        LYS  43   9.958  -2.633   5.420
  263    HA   LYS  43           HA       LYS  43  11.425  -2.641   3.004
  264   1HB   LYS  43          1HB       LYS  43   9.475  -4.133   3.651
  265   2HB   LYS  43          2HB       LYS  43   8.418  -2.771   3.337
  266   1HG   LYS  43          1HG       LYS  43   9.265  -2.622   1.003
  267   2HG   LYS  43          2HG       LYS  43  10.384  -3.935   1.307
  268   1HD   LYS  43          1HD       LYS  43   8.676  -5.205   0.425
  269   2HD   LYS  43          2HD       LYS  43   8.098  -5.175   2.080
  270   1HE   LYS  43          1HE       LYS  43   6.739  -3.103   1.504
  271   2HE   LYS  43          2HE       LYS  43   7.235  -3.292  -0.166
  272   1HZ   LYS  43          1HZ       LYS  43   6.173  -5.474  -0.195
  273   2HZ   LYS  43          2HZ       LYS  43   5.765  -5.363   1.377
  274    H    ILE  44           H        ILE  44  11.307  -1.238   1.199
  275    HA   ILE  44           HA       ILE  44  11.024   1.481   2.003
  276    HB   ILE  44           HB       ILE  44  11.631   0.287  -0.704
  277   1HG1  ILE  44          1HG1      ILE  44  13.297  -0.558   0.714
  278   2HG1  ILE  44          2HG1      ILE  44  14.019   0.851  -0.034
  279   1HG2  ILE  44          1HG2      ILE  44  11.951   3.083   0.408
  280   2HG2  ILE  44          2HG2      ILE  44  12.737   2.507  -1.081
  281   3HG2  ILE  44          3HG2      ILE  44  10.961   2.560  -0.976
  282   1HD1  ILE  44          1HD1      ILE  44  14.563   1.045   2.281
  283   2HD1  ILE  44          2HD1      ILE  44  13.213   2.179   2.042
  284   3HD1  ILE  44          3HD1      ILE  44  12.918   0.590   2.788
  285    H    CYS  45           H        CYS  45   9.237   2.728   1.909
  286    HA   CYS  45           HA       CYS  45   6.942   1.633   0.524
  287   1HB   CYS  45          1HB       CYS  45   5.621   3.136   1.760
  288   2HB   CYS  45          2HB       CYS  45   6.802   2.477   2.875
  289    H    ARG  46           H        ARG  46   9.336   4.291   0.417
  290    HA   ARG  46           HA       ARG  46   8.155   5.194  -2.049
  291   1HB   ARG  46          1HB       ARG  46   7.185   6.486   0.011
  292   2HB   ARG  46          2HB       ARG  46   8.774   7.209   0.154
  293   1HG   ARG  46          1HG       ARG  46   8.626   8.159  -2.096
  294   2HG   ARG  46          2HG       ARG  46   7.153   7.271  -2.431
  295   1HD   ARG  46          1HD       ARG  46   7.422   9.380  -0.234
  296   2HD   ARG  46          2HD       ARG  46   6.752   9.692  -1.823
  297    HE   ARG  46           HE       ARG  46   4.925   8.105  -1.301
  298   1HH1  ARG  46          2HH2      ARG  46   7.088   8.364   1.452
  299   2HH1  ARG  46          1HH2      ARG  46   5.822   8.522   2.623
  300   1HH2  ARG  46          1HH1      ARG  46   3.548   8.199   1.902
  301    H    ILE  47           H        ILE  47   9.700   6.222  -3.439
  302    HA   ILE  47           HA       ILE  47  12.428   5.702  -2.660
  303    HB   ILE  47           HB       ILE  47  11.309   6.745  -5.262
  304   1HG1  ILE  47          1HG1      ILE  47  10.239   4.659  -4.878
  305   2HG1  ILE  47          2HG1      ILE  47  11.537   4.365  -6.018
  306   1HG2  ILE  47          1HG2      ILE  47  13.705   7.167  -4.953
  307   2HG2  ILE  47          2HG2      ILE  47  13.968   5.439  -4.624
  308   3HG2  ILE  47          3HG2      ILE  47  13.404   5.964  -6.229
  309   1HD1  ILE  47          1HD1      ILE  47  11.512   3.735  -3.038
  310   2HD1  ILE  47          2HD1      ILE  47  11.656   2.593  -4.396
  311   3HD1  ILE  47          3HD1      ILE  47  13.000   3.696  -4.014
  312    HA   PRO  48           HA       PRO  48  13.248   9.889  -1.706
  313   1HB   PRO  48          1HB       PRO  48  15.957   9.690  -1.412
  314   2HB   PRO  48          2HB       PRO  48  14.825   9.323  -0.126
  315   1HG   PRO  48          1HG       PRO  48  16.390   7.460  -1.805
  316   2HG   PRO  48          2HG       PRO  48  15.600   7.155  -0.271
  317   1HD   PRO  48          1HD       PRO  48  14.672   6.361  -2.866
  318   2HD   PRO  48          2HD       PRO  48  13.827   6.160  -1.344
  319    H    ARG  49           H        ARG  49  13.451  11.725  -2.879
  320    HA   ARG  49           HA       ARG  49  14.556  11.455  -5.464
  321   1HB   ARG  49          1HB       ARG  49  12.748  13.109  -4.850
  322   2HB   ARG  49          2HB       ARG  49  13.904  13.983  -3.865
  323   1HG   ARG  49          1HG       ARG  49  15.321  14.404  -5.871
  324   2HG   ARG  49          2HG       ARG  49  14.203  13.493  -6.866
  325   1HD   ARG  49          1HD       ARG  49  12.381  15.121  -6.316
  326   2HD   ARG  49          2HD       ARG  49  13.493  16.029  -5.311
  327    HE   ARG  49           HE       ARG  49  14.676  15.744  -7.895
  328   1HH1  ARG  49          2HH2      ARG  49  11.948  17.404  -6.360
  329   2HH1  ARG  49          1HH2      ARG  49  11.930  18.701  -7.509
  330   1HH2  ARG  49          1HH1      ARG  49  13.530  18.709  -9.295
  331    H    GLY  50           H        GLY  50  16.761  10.776  -5.252
  332   1HA   GLY  50          1HA       GLY  50  18.952  11.291  -5.379
  333   2HA   GLY  50          2HA       GLY  50  18.557  12.971  -5.076
  334    H    ASP  51           H        ASP  51  18.216  13.680  -2.763
  335    HA   ASP  51           HA       ASP  51  20.417  12.341  -1.427
  336   1HB   ASP  51          1HB       ASP  51  20.667  14.739  -2.209
  337   2HB   ASP  51          2HB       ASP  51  19.378  15.198  -1.115
  338    H    MET  52           H        MET  52  17.125  12.381  -1.313
  339    HA   MET  52           HA       MET  52  16.723  13.014   1.429
  340   1HB   MET  52          1HB       MET  52  15.046  11.806  -0.819
  341   2HB   MET  52          2HB       MET  52  14.416  11.860   0.815
  342   1HG   MET  52          1HG       MET  52  14.724  14.334   0.874
  343   2HG   MET  52          2HG       MET  52  15.414  14.299  -0.737
  344   1HE   MET  52          1HE       MET  52  13.724  15.945  -1.774
  345   2HE   MET  52          2HE       MET  52  11.966  15.869  -1.511
  346   3HE   MET  52          3HE       MET  52  13.058  16.178  -0.140
  347    HA   PRO  53           HA       PRO  53  16.994   8.864   2.972
  348   1HB   PRO  53          1HB       PRO  53  15.241   8.955   5.065
  349   2HB   PRO  53          2HB       PRO  53  16.900   9.507   5.180
  350   1HG   PRO  53          1HG       PRO  53  14.423  11.110   5.000
  351   2HG   PRO  53          2HG       PRO  53  16.016  11.607   5.535
  352   1HD   PRO  53          1HD       PRO  53  14.799  12.179   3.001
  353   2HD   PRO  53          2HD       PRO  53  16.435  12.576   3.492
  354    H    ASP  54           H        ASP  54  16.158   6.845   2.605
  355    HA   ASP  54           HA       ASP  54  13.816   6.820   1.059
  356   1HB   ASP  54          1HB       ASP  54  14.036   4.308   1.316
  357   2HB   ASP  54          2HB       ASP  54  15.475   5.099   0.704
  358    H    ASP  55           H        ASP  55  11.669   6.549   1.759
  359    HA   ASP  55           HA       ASP  55  11.289   6.515   4.599
  360   1HB   ASP  55          1HB       ASP  55   9.361   6.756   2.244
  361   2HB   ASP  55          2HB       ASP  55   8.841   6.806   3.916
  362    H    ARG  56           H        ARG  56   9.865   4.865   5.671
  363    HA   ARG  56           HA       ARG  56  10.112   2.370   4.196
  364   1HB   ARG  56          1HB       ARG  56  11.170   3.049   6.978
  365   2HB   ARG  56          2HB       ARG  56  10.964   1.392   6.446
  366   1HG   ARG  56          1HG       ARG  56  12.591   1.623   4.700
  367   2HG   ARG  56          2HG       ARG  56  12.546   3.374   4.770
  368   1HD   ARG  56          1HD       ARG  56  13.565   3.309   7.059
  369   2HD   ARG  56          2HD       ARG  56  13.606   1.559   6.992
  370    HE   ARG  56           HE       ARG  56  14.944   2.343   4.679
  371   1HH1  ARG  56          2HH2      ARG  56  15.416   2.692   8.166
  372   2HH1  ARG  56          1HH2      ARG  56  17.091   3.108   8.028
  373   1HH2  ARG  56          1HH1      ARG  56  18.103   3.189   5.855
  374    H    CYS  57           H        CYS  57   8.802   0.550   5.171
  375    HA   CYS  57           HA       CYS  57   6.415   1.502   6.442
  376   1HB   CYS  57          1HB       CYS  57   7.329  -1.273   5.661
  377   2HB   CYS  57          2HB       CYS  57   5.778  -0.918   6.397
  378    H    THR  58           H        THR  58   5.766   0.964   8.618
  379    HA   THR  58           HA       THR  58   7.980   0.523  10.421
  380    HB   THR  58           HB       THR  58   5.923   0.780  12.066
  381    HG1  THR  58           HG1      THR  58   4.096   1.661  10.888
  382   1HG2  THR  58          1HG2      THR  58   5.786   3.246  11.639
  383   2HG2  THR  58          2HG2      THR  58   7.475   2.685  11.619
  384   3HG2  THR  58          3HG2      THR  58   6.628   3.014  10.089
  385    H    GLY  59           H        GLY  59   5.660  -1.457   8.738
  386   1HA   GLY  59          1HA       GLY  59   4.870  -3.543   9.102
  387   2HA   GLY  59          2HA       GLY  59   6.053  -3.762  10.375
  388    H    GLN  60           H        GLN  60   4.039  -0.886  10.565
  389    HA   GLN  60           HA       GLN  60   2.192  -2.243  12.327
  390   1HB   GLN  60          1HB       GLN  60   4.327  -1.201  13.533
  391   2HB   GLN  60          2HB       GLN  60   3.460   0.308  13.327
  392   1HG   GLN  60          1HG       GLN  60   2.810  -0.547  15.482
  393   2HG   GLN  60          2HG       GLN  60   1.435  -0.796  14.425
  394   1HE2  GLN  60          1HE2      GLN  60   4.355  -2.356  15.689
  395   2HE2  GLN  60          2HE2      GLN  60   3.748  -3.978  15.733
  396    H    SER  61           H        SER  61   2.128  -0.956   9.610
  397    HA   SER  61           HA       SER  61  -0.229   0.526  10.085
  398   1HB   SER  61          1HB       SER  61   1.379   2.343  10.474
  399   2HB   SER  61          2HB       SER  61   2.208   1.983   8.973
  400    HG   SER  61           HG       SER  61   0.818   3.724   8.568
  401    H    ALA  62           H        ALA  62  -1.395   0.958   8.010
  402    HA   ALA  62           HA       ALA  62  -0.377  -0.668   5.816
  403   1HB   ALA  62          1HB       ALA  62  -2.698  -1.009   6.486
  404   2HB   ALA  62          2HB       ALA  62  -3.036   0.730   6.314
  405   3HB   ALA  62          3HB       ALA  62  -2.657  -0.249   4.877
  406    H    ASP  63           H        ASP  63  -0.365   2.574   6.985
  407    HA   ASP  63           HA       ASP  63   0.103   3.522   4.267
  408   1HB   ASP  63          1HB       ASP  63  -0.419   5.829   5.383
  409   2HB   ASP  63          2HB       ASP  63  -1.756   4.761   5.009
  410    H    CYS  64           H        CYS  64   2.023   4.823   3.955
  411    HA   CYS  64           HA       CYS  64   4.095   4.199   5.762
  412   1HB   CYS  64          1HB       CYS  64   4.249   4.470   3.242
  413   2HB   CYS  64          2HB       CYS  64   4.212   6.202   3.506
  414    HA   PRO  65           HA       PRO  65   3.637   7.864   8.200
  415   1HB   PRO  65          1HB       PRO  65   5.642   7.335   9.979
  416   2HB   PRO  65          2HB       PRO  65   4.003   6.751  10.182
  417   1HG   PRO  65          1HG       PRO  65   6.411   5.259   9.335
  418   2HG   PRO  65          2HG       PRO  65   4.892   4.635   9.947
  419   1HD   PRO  65          1HD       PRO  65   5.765   4.653   7.215
  420   2HD   PRO  65          2HD       PRO  65   4.200   4.136   7.812
  421    H    ARG  66           H        ARG  66   7.026   6.890   7.915
  422    HA   ARG  66           HA       ARG  66   7.630   9.053   6.264
  423   1HB   ARG  66          1HB       ARG  66   7.189  10.333   8.383
  424   2HB   ARG  66          2HB       ARG  66   8.403   9.377   9.208
  425   1HG   ARG  66          1HG       ARG  66  10.168  10.230   7.718
  426   2HG   ARG  66          2HG       ARG  66   8.986  11.072   6.737
  427   1HD   ARG  66          1HD       ARG  66   9.394  11.645   9.710
  428   2HD   ARG  66          2HD       ARG  66  10.223  12.527   8.444
  429    HE   ARG  66           HE       ARG  66   7.468  12.589   7.793
  430   1HH1  ARG  66          2HH2      ARG  66   9.614  13.830  10.324
  431   2HH1  ARG  66          1HH2      ARG  66   8.574  15.155  10.728
  432   1HH2  ARG  66          1HH1      ARG  66   6.521  15.447   9.526
  433    H    TYR  67           H        TYR  67   8.912   7.102   9.058
  434    HA   TYR  67           HA       TYR  67  10.896   5.899   7.365
  435   1HB   TYR  67          1HB       TYR  67  11.663   8.297   8.172
  436   2HB   TYR  67          2HB       TYR  67  11.692   7.618   9.787
  437    HD1  TYR  67           HD1      TYR  67  13.439   6.075  10.476
  438    HD2  TYR  67           HD2      TYR  67  13.302   7.572   6.471
  439    HE1  TYR  67           HE1      TYR  67  15.807   5.243  10.077
  440    HE2  TYR  67           HE2      TYR  67  15.671   6.735   6.085
  441    HH   TYR  67           HH       TYR  67  17.296   5.511   6.878
  442    H    HIS  68           H        HIS  68  12.293   4.338   8.673
  443    HA   HIS  68           HA       HIS  68  11.324   3.776  11.318
  444   1HB   HIS  68          1HB       HIS  68   9.687   2.587   9.936
  445   2HB   HIS  68          2HB       HIS  68  10.975   1.758   9.083
  446    HD1  HIS  68           HD1      HIS  68   9.683   2.080  12.681
  447    HD2  HIS  68           HD2      HIS  68  11.640  -0.659  10.179
  448    HE1  HIS  68           HE1      HIS  68   9.909  -0.079  14.023
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -23.923  -1.456   9.337
    2   2H    GLY   1          2H        GLY   1 -23.675  -0.390  10.580
    3   3H    GLY   1          3H        GLY   1 -25.211  -0.878  10.202
    4   1HA   GLY   1          1HA       GLY   1 -25.456   0.544   8.559
    5   2HA   GLY   1          2HA       GLY   1 -24.178   1.393   9.404
    6    H    LYS   2           H        LYS   2 -23.944   2.162   7.000
    7    HA   LYS   2           HA       LYS   2 -22.795   0.430   5.127
    8   1HB   LYS   2          1HB       LYS   2 -22.309   2.395   3.877
    9   2HB   LYS   2          2HB       LYS   2 -23.846   2.660   4.675
   10   1HG   LYS   2          1HG       LYS   2 -22.558   3.851   6.548
   11   2HG   LYS   2          2HG       LYS   2 -21.127   3.743   5.541
   12   1HD   LYS   2          1HD       LYS   2 -21.942   5.860   4.948
   13   2HD   LYS   2          2HD       LYS   2 -22.637   4.862   3.687
   14   1HE   LYS   2          1HE       LYS   2 -24.771   4.701   4.964
   15   2HE   LYS   2          2HE       LYS   2 -24.079   5.651   6.264
   16   1HZ   LYS   2          1HZ       LYS   2 -24.493   6.606   3.482
   17   2HZ   LYS   2          2HZ       LYS   2 -25.356   7.068   4.783
   18    H    GLU   3           H        GLU   3 -20.635  -0.035   4.582
   19    HA   GLU   3           HA       GLU   3 -18.560   1.124   6.151
   20   1HB   GLU   3          1HB       GLU   3 -19.455  -0.685   7.655
   21   2HB   GLU   3          2HB       GLU   3 -19.091  -1.868   6.414
   22   1HG   GLU   3          1HG       GLU   3 -16.668  -1.137   6.489
   23   2HG   GLU   3          2HG       GLU   3 -17.065  -0.054   7.808
   24    H    CYS   4           H        CYS   4 -16.575   1.030   5.045
   25    HA   CYS   4           HA       CYS   4 -16.315  -1.059   3.040
   26   1HB   CYS   4          1HB       CYS   4 -15.753   1.864   2.493
   27   2HB   CYS   4          2HB       CYS   4 -15.299   0.536   1.443
   28    H    ASP   5           H        ASP   5 -14.244  -1.972   3.111
   29    HA   ASP   5           HA       ASP   5 -12.434  -0.890   5.037
   30   1HB   ASP   5          1HB       ASP   5 -12.369  -3.295   3.170
   31   2HB   ASP   5          2HB       ASP   5 -10.988  -2.866   4.158
   32    H    CYS   6           H        CYS   6 -13.114  -0.655   1.628
   33    HA   CYS   6           HA       CYS   6 -10.490   0.584   1.215
   34   1HB   CYS   6          1HB       CYS   6 -12.280  -0.664  -0.880
   35   2HB   CYS   6          2HB       CYS   6 -10.730   0.102  -1.165
   36    H    SER   7           H        SER   7 -10.626   2.492  -0.387
   37    HA   SER   7           HA       SER   7 -13.076   3.941   0.052
   38   1HB   SER   7          1HB       SER   7 -10.637   4.881  -1.503
   39   2HB   SER   7          2HB       SER   7 -11.884   5.873  -0.773
   40    HG   SER   7           HG       SER   7 -11.152   5.186   1.333
   41    H    SER   8           H        SER   8 -11.362   2.088  -2.419
   42    HA   SER   8           HA       SER   8 -13.170   3.172  -4.433
   43   1HB   SER   8          1HB       SER   8 -10.415   1.896  -4.726
   44   2HB   SER   8          2HB       SER   8 -11.435   2.329  -6.085
   45    HG   SER   8           HG       SER   8  -9.882   4.003  -5.591
   46    HA   PRO   9           HA       PRO   9 -14.620  -0.976  -4.962
   47   1HB   PRO   9          1HB       PRO   9 -15.882  -0.698  -7.370
   48   2HB   PRO   9          2HB       PRO   9 -16.637  -0.298  -5.839
   49   1HG   PRO   9          1HG       PRO   9 -15.558   1.521  -7.905
   50   2HG   PRO   9          2HG       PRO   9 -16.673   1.878  -6.602
   51   1HD   PRO   9          1HD       PRO   9 -13.880   2.525  -6.696
   52   2HD   PRO   9          2HD       PRO   9 -14.969   2.778  -5.346
   53    H    GLU  10           H        GLU  10 -12.587   0.682  -7.174
   54    HA   GLU  10           HA       GLU  10 -12.108  -1.649  -8.723
   55   1HB   GLU  10          1HB       GLU  10 -10.730   1.067  -8.601
   56   2HB   GLU  10          2HB       GLU  10 -10.277  -0.190  -9.736
   57   1HG   GLU  10          1HG       GLU  10 -12.602  -0.212 -10.652
   58   2HG   GLU  10          2HG       GLU  10 -13.071   1.028  -9.506
   59    H    ASN  11           H        ASN  11 -11.060  -0.491  -5.660
   60    HA   ASN  11           HA       ASN  11  -8.463  -1.360  -5.574
   61   1HB   ASN  11          1HB       ASN  11  -9.797  -0.122  -3.758
   62   2HB   ASN  11          2HB       ASN  11 -10.534  -1.655  -3.337
   63   1HD2  ASN  11          1HD2      ASN  11  -8.392   0.392  -2.266
   64   2HD2  ASN  11          2HD2      ASN  11  -7.171  -0.627  -1.579
   65    HA   PRO  12           HA       PRO  12  -9.355  -5.563  -6.339
   66   1HB   PRO  12          1HB       PRO  12  -6.805  -6.542  -6.416
   67   2HB   PRO  12          2HB       PRO  12  -7.561  -5.727  -7.772
   68   1HG   PRO  12          1HG       PRO  12  -5.500  -4.710  -5.911
   69   2HG   PRO  12          2HG       PRO  12  -5.952  -4.099  -7.491
   70   1HD   PRO  12          1HD       PRO  12  -6.669  -2.982  -4.947
   71   2HD   PRO  12          2HD       PRO  12  -7.215  -2.440  -6.522
   72    H    CYS  13           H        CYS  13  -7.910  -4.451  -3.501
   73    HA   CYS  13           HA       CYS  13  -7.729  -6.985  -2.248
   74   1HB   CYS  13          1HB       CYS  13  -7.908  -4.229  -1.012
   75   2HB   CYS  13          2HB       CYS  13  -7.446  -5.702  -0.182
   76    H    CYS  14           H        CYS  14 -10.252  -4.619  -2.948
   77    HA   CYS  14           HA       CYS  14 -12.042  -5.984  -1.081
   78   1HB   CYS  14          1HB       CYS  14 -12.075  -3.221  -2.275
   79   2HB   CYS  14          2HB       CYS  14 -13.527  -3.941  -1.608
   80    H    ASP  15           H        ASP  15 -14.086  -6.827  -1.933
   81    HA   ASP  15           HA       ASP  15 -14.335  -6.803  -4.795
   82   1HB   ASP  15          1HB       ASP  15 -15.025  -8.757  -3.300
   83   2HB   ASP  15          2HB       ASP  15 -16.319  -7.753  -2.678
   84    H    ALA  16           H        ALA  16 -16.154  -5.697  -5.885
   85    HA   ALA  16           HA       ALA  16 -16.498  -3.117  -4.779
   86   1HB   ALA  16          1HB       ALA  16 -16.205  -3.537  -7.184
   87   2HB   ALA  16          2HB       ALA  16 -17.725  -4.463  -7.221
   88   3HB   ALA  16          3HB       ALA  16 -17.755  -2.717  -6.878
   89    H    ALA  17           H        ALA  17 -18.421  -6.106  -4.859
   90    HA   ALA  17           HA       ALA  17 -20.924  -4.797  -4.579
   91   1HB   ALA  17          1HB       ALA  17 -20.104  -7.687  -4.077
   92   2HB   ALA  17          2HB       ALA  17 -21.767  -7.088  -4.291
   93   3HB   ALA  17          3HB       ALA  17 -20.613  -7.013  -5.644
   94    H    THR  18           H        THR  18 -18.513  -6.271  -2.357
   95    HA   THR  18           HA       THR  18 -20.319  -5.784  -0.107
   96    HB   THR  18           HB       THR  18 -18.971  -7.399   1.028
   97    HG1  THR  18           HG1      THR  18 -17.094  -6.604  -1.078
   98   1HG2  THR  18          1HG2      THR  18 -18.830  -9.288  -0.410
   99   2HG2  THR  18          2HG2      THR  18 -20.068  -8.291  -1.211
  100   3HG2  THR  18          3HG2      THR  18 -18.396  -8.292  -1.821
  101    H    CYS  19           H        CYS  19 -17.485  -4.483  -1.716
  102    HA   CYS  19           HA       CYS  19 -16.449  -2.568  -1.396
  103   1HB   CYS  19          1HB       CYS  19 -18.834  -1.911  -0.467
  104   2HB   CYS  19          2HB       CYS  19 -17.987  -1.853   1.066
  105    H    LYS  20           H        LYS  20 -15.916  -5.243   0.023
  106    HA   LYS  20           HA       LYS  20 -14.336  -4.244   2.266
  107   1HB   LYS  20          1HB       LYS  20 -16.870  -5.420   2.595
  108   2HB   LYS  20          2HB       LYS  20 -15.726  -6.687   2.989
  109   1HG   LYS  20          1HG       LYS  20 -14.611  -5.283   4.640
  110   2HG   LYS  20          2HG       LYS  20 -15.497  -3.864   4.120
  111   1HD   LYS  20          1HD       LYS  20 -16.959  -6.319   5.163
  112   2HD   LYS  20          2HD       LYS  20 -16.313  -5.121   6.267
  113   1HE   LYS  20          1HE       LYS  20 -17.608  -3.342   4.958
  114   2HE   LYS  20          2HE       LYS  20 -18.363  -4.639   4.056
  115   1HZ   LYS  20          1HZ       LYS  20 -19.146  -5.545   6.226
  116   2HZ   LYS  20          2HZ       LYS  20 -18.543  -4.242   6.993
  117    H    LEU  21           H        LEU  21 -12.872  -6.073   3.132
  118    HA   LEU  21           HA       LEU  21 -11.302  -6.716   0.918
  119   1HB   LEU  21          1HB       LEU  21 -11.138  -7.750   3.752
  120   2HB   LEU  21          2HB       LEU  21  -9.870  -7.848   2.547
  121    HG   LEU  21           HG       LEU  21 -11.001  -5.188   3.414
  122   1HD1  LEU  21          1HD1      LEU  21  -9.199  -5.003   5.059
  123   2HD1  LEU  21          2HD1      LEU  21 -10.303  -6.344   5.449
  124   3HD1  LEU  21          3HD1      LEU  21  -8.713  -6.683   4.725
  125   1HD2  LEU  21          1HD2      LEU  21  -9.666  -5.244   1.354
  126   2HD2  LEU  21          2HD2      LEU  21  -8.859  -4.324   2.647
  127   3HD2  LEU  21          3HD2      LEU  21  -8.312  -5.971   2.255
  128    H    ARG  22           H        ARG  22 -11.125  -8.510  -0.371
  129    HA   ARG  22           HA       ARG  22 -12.983 -10.624   0.090
  130   1HB   ARG  22          1HB       ARG  22 -10.779 -10.828  -1.966
  131   2HB   ARG  22          2HB       ARG  22 -12.452 -11.335  -2.092
  132   1HG   ARG  22          1HG       ARG  22 -13.035  -8.787  -1.962
  133   2HG   ARG  22          2HG       ARG  22 -11.336  -8.512  -2.288
  134   1HD   ARG  22          1HD       ARG  22 -13.193 -10.180  -4.054
  135   2HD   ARG  22          2HD       ARG  22 -12.739  -8.519  -4.377
  136    HE   ARG  22           HE       ARG  22 -10.306  -9.865  -4.053
  137   1HH1  ARG  22          2HH2      ARG  22 -13.055  -9.989  -6.279
  138   2HH1  ARG  22          1HH2      ARG  22 -12.165 -10.783  -7.534
  139   1HH2  ARG  22          1HH1      ARG  22  -9.841 -11.268  -7.197
  140    HA   PRO  23           HA       PRO  23  -8.987 -13.036   0.128
  141   1HB   PRO  23          1HB       PRO  23  -6.524 -11.859   0.235
  142   2HB   PRO  23          2HB       PRO  23  -7.347 -12.223  -1.268
  143   1HG   PRO  23          1HG       PRO  23  -6.985  -9.608   0.059
  144   2HG   PRO  23          2HG       PRO  23  -7.414  -9.944  -1.607
  145   1HD   PRO  23          1HD       PRO  23  -9.183  -9.081   0.481
  146   2HD   PRO  23          2HD       PRO  23  -9.630  -9.529  -1.154
  147    H    GLY  24           H        GLY  24  -6.916 -13.731   1.570
  148   1HA   GLY  24          1HA       GLY  24  -7.593 -13.300   4.302
  149   2HA   GLY  24          2HA       GLY  24  -6.132 -14.029   3.665
  150    H    ALA  25           H        ALA  25  -7.747 -10.767   3.902
  151    HA   ALA  25           HA       ALA  25  -5.040  -9.621   3.806
  152   1HB   ALA  25          1HB       ALA  25  -5.961  -8.996   1.767
  153   2HB   ALA  25          2HB       ALA  25  -7.619  -8.939   2.412
  154   3HB   ALA  25          3HB       ALA  25  -6.471  -7.634   2.793
  155    H    GLN  26           H        GLN  26  -4.864  -7.443   4.882
  156    HA   GLN  26           HA       GLN  26  -6.557  -7.499   7.255
  157   1HB   GLN  26          1HB       GLN  26  -3.646  -6.788   6.828
  158   2HB   GLN  26          2HB       GLN  26  -4.510  -6.117   8.197
  159   1HG   GLN  26          1HG       GLN  26  -4.547  -9.104   7.612
  160   2HG   GLN  26          2HG       GLN  26  -3.255  -8.374   8.543
  161   1HE2  GLN  26          1HE2      GLN  26  -3.912  -6.990  10.386
  162   2HE2  GLN  26          2HE2      GLN  26  -5.254  -7.486  11.363
  163    H    CYS  27           H        CYS  27  -5.088  -5.484   4.685
  164    HA   CYS  27           HA       CYS  27  -7.000  -3.401   5.391
  165   1HB   CYS  27          1HB       CYS  27  -5.241  -1.684   4.876
  166   2HB   CYS  27          2HB       CYS  27  -5.072  -2.531   6.400
  167    H    GLY  28           H        GLY  28  -7.238  -1.833   3.453
  168   1HA   GLY  28          1HA       GLY  28  -6.829  -3.319   0.932
  169   2HA   GLY  28          2HA       GLY  28  -8.121  -2.179   1.247
  170    H    GLU  29           H        GLU  29  -5.839  -0.547   2.821
  171    HA   GLU  29           HA       GLU  29  -4.829   0.761   0.459
  172   1HB   GLU  29          1HB       GLU  29  -6.970   1.938   2.270
  173   2HB   GLU  29          2HB       GLU  29  -5.925   2.956   1.299
  174   1HG   GLU  29          1HG       GLU  29  -6.643   1.578  -0.744
  175   2HG   GLU  29          2HG       GLU  29  -7.828   0.797   0.283
  176    H    GLY  30           H        GLY  30  -3.319   2.571   1.013
  177   1HA   GLY  30          1HA       GLY  30  -2.229   3.707   2.920
  178   2HA   GLY  30          2HA       GLY  30  -2.165   2.141   3.705
  179    H    LEU  31           H        LEU  31   0.074   3.958   2.919
  180    HA   LEU  31           HA       LEU  31   1.296   2.953   0.587
  181   1HB   LEU  31          1HB       LEU  31   2.109   4.668   2.893
  182   2HB   LEU  31          2HB       LEU  31   3.356   4.016   1.849
  183    HG   LEU  31           HG       LEU  31   2.600   6.325   1.273
  184   1HD1  LEU  31          1HD1      LEU  31   3.705   4.792  -0.352
  185   2HD1  LEU  31          2HD1      LEU  31   2.092   4.314  -0.935
  186   3HD1  LEU  31          3HD1      LEU  31   2.636   6.000  -1.106
  187   1HD2  LEU  31          1HD2      LEU  31   0.206   6.002   1.810
  188   2HD2  LEU  31          2HD2      LEU  31   0.472   6.697   0.193
  189   3HD2  LEU  31          3HD2      LEU  31   0.044   4.977   0.364
  190    H    CYS  32           H        CYS  32   1.182   1.920   3.982
  191    HA   CYS  32           HA       CYS  32   3.393   0.095   3.496
  192   1HB   CYS  32          1HB       CYS  32   3.476   1.506   5.503
  193   2HB   CYS  32          2HB       CYS  32   1.967   0.815   6.064
  194    H    CYS  33           H        CYS  33   0.249   0.139   2.729
  195    HA   CYS  33           HA       CYS  33  -0.442  -2.443   3.853
  196   1HB   CYS  33          1HB       CYS  33  -2.106  -0.608   3.796
  197   2HB   CYS  33          2HB       CYS  33  -2.042  -0.621   2.044
  198    H    GLU  34           H        GLU  34   1.094  -3.814   2.757
  199    HA   GLU  34           HA       GLU  34   0.928  -3.680  -0.154
  200   1HB   GLU  34          1HB       GLU  34   3.297  -4.662   1.493
  201   2HB   GLU  34          2HB       GLU  34   3.258  -4.407  -0.241
  202   1HG   GLU  34          1HG       GLU  34   2.836  -1.963   0.136
  203   2HG   GLU  34          2HG       GLU  34   2.902  -2.223   1.867
  204    H    GLN  35           H        GLN  35   0.490  -5.604  -1.292
  205    HA   GLN  35           HA       GLN  35  -0.619  -7.455  -1.526
  206   1HB   GLN  35          1HB       GLN  35   1.600  -8.314  -0.373
  207   2HB   GLN  35          2HB       GLN  35   0.558  -8.640   0.999
  208   1HG   GLN  35          1HG       GLN  35  -0.964  -9.964  -0.553
  209   2HG   GLN  35          2HG       GLN  35   0.211  -9.732  -1.833
  210   1HE2  GLN  35          1HE2      GLN  35   2.359 -10.548  -1.553
  211   2HE2  GLN  35          2HE2      GLN  35   2.662 -11.941  -0.571
  212    H    CYS  36           H        CYS  36  -1.703  -5.235   0.137
  213    HA   CYS  36           HA       CYS  36  -3.629  -4.823   1.105
  214   1HB   CYS  36          1HB       CYS  36  -4.326  -7.754   0.876
  215   2HB   CYS  36          2HB       CYS  36  -5.431  -6.409   1.081
  216    H    LYS  37           H        LYS  37  -1.152  -5.664   2.575
  217    HA   LYS  37           HA       LYS  37  -2.388  -6.482   5.080
  218   1HB   LYS  37          1HB       LYS  37  -0.289  -8.055   3.590
  219   2HB   LYS  37          2HB       LYS  37  -0.407  -8.132   5.336
  220   1HG   LYS  37          1HG       LYS  37  -2.837  -8.767   5.119
  221   2HG   LYS  37          2HG       LYS  37  -2.667  -8.750   3.375
  222   1HD   LYS  37          1HD       LYS  37  -2.330 -11.023   3.849
  223   2HD   LYS  37          2HD       LYS  37  -0.680 -10.436   3.782
  224   1HE   LYS  37          1HE       LYS  37  -0.633 -10.211   6.258
  225   2HE   LYS  37          2HE       LYS  37  -2.309 -10.714   6.355
  226   1HZ   LYS  37          1HZ       LYS  37  -1.662 -12.863   5.400
  227   2HZ   LYS  37          2HZ       LYS  37  -0.106 -12.397   5.285
  228    H    PHE  38           H        PHE  38  -0.774  -6.227   6.934
  229    HA   PHE  38           HA       PHE  38   0.382  -3.633   6.582
  230   1HB   PHE  38          1HB       PHE  38   0.006  -5.684   8.824
  231   2HB   PHE  38          2HB       PHE  38   0.957  -4.241   9.115
  232    HD1  PHE  38           HD1      PHE  38  -2.360  -5.099   7.609
  233    HD2  PHE  38           HD2      PHE  38  -0.146  -2.502  10.131
  234    HE1  PHE  38           HE1      PHE  38  -4.457  -3.824   8.138
  235    HE2  PHE  38           HE2      PHE  38  -2.242  -1.227  10.659
  236    HZ   PHE  38           HZ       PHE  38  -4.373  -1.904   9.656
  237    H    SER  39           H        SER  39   2.329  -3.563   5.484
  238    HA   SER  39           HA       SER  39   3.958  -5.852   5.449
  239   1HB   SER  39          1HB       SER  39   4.117  -4.711   3.445
  240   2HB   SER  39          2HB       SER  39   3.965  -3.135   4.197
  241    HG   SER  39           HG       SER  39   6.116  -3.512   3.348
  242    H    ARG  40           H        ARG  40   6.540  -5.483   5.820
  243    HA   ARG  40           HA       ARG  40   6.263  -5.227   8.678
  244   1HB   ARG  40          1HB       ARG  40   8.203  -6.804   8.761
  245   2HB   ARG  40          2HB       ARG  40   6.896  -7.443   7.785
  246   1HG   ARG  40          1HG       ARG  40   8.029  -6.984   5.735
  247   2HG   ARG  40          2HG       ARG  40   9.122  -5.838   6.486
  248   1HD   ARG  40          1HD       ARG  40  10.237  -7.673   7.734
  249   2HD   ARG  40          2HD       ARG  40   9.103  -8.837   7.081
  250    HE   ARG  40           HE       ARG  40  11.330  -7.547   5.631
  251   1HH1  ARG  40          2HH2      ARG  40   8.249  -9.230   5.217
  252   2HH1  ARG  40          1HH2      ARG  40   8.746 -10.062   3.781
  253   1HH2  ARG  40          1HH1      ARG  40  10.921  -9.619   2.869
  254    H    ALA  41           H        ALA  41   8.344  -4.611   9.946
  255    HA   ALA  41           HA       ALA  41   8.860  -1.971   9.182
  256   1HB   ALA  41          1HB       ALA  41  10.123  -3.791  11.269
  257   2HB   ALA  41          2HB       ALA  41  10.407  -2.037  11.163
  258   3HB   ALA  41          3HB       ALA  41   8.774  -2.657  11.508
  259    H    GLY  42           H        GLY  42  10.167  -1.291   7.557
  260   1HA   GLY  42          1HA       GLY  42  12.510  -0.906   7.121
  261   2HA   GLY  42          2HA       GLY  42  12.801  -2.619   7.344
  262    H    LYS  43           H        LYS  43  10.000  -3.012   5.891
  263    HA   LYS  43           HA       LYS  43  11.085  -3.118   3.236
  264   1HB   LYS  43          1HB       LYS  43   9.630  -4.895   4.157
  265   2HB   LYS  43          2HB       LYS  43   8.306  -3.752   4.276
  266   1HG   LYS  43          1HG       LYS  43   8.274  -3.423   1.853
  267   2HG   LYS  43          2HG       LYS  43   9.755  -4.340   1.655
  268   1HD   LYS  43          1HD       LYS  43   7.398  -5.678   2.994
  269   2HD   LYS  43          2HD       LYS  43   7.366  -5.476   1.254
  270   1HE   LYS  43          1HE       LYS  43   9.511  -6.683   1.028
  271   2HE   LYS  43          2HE       LYS  43   9.671  -6.790   2.770
  272   1HZ   LYS  43          1HZ       LYS  43   7.671  -8.161   2.833
  273   2HZ   LYS  43          2HZ       LYS  43   7.446  -8.014   1.228
  274    H    ILE  44           H        ILE  44  10.472  -1.842   1.437
  275    HA   ILE  44           HA       ILE  44  10.181   0.845   2.318
  276    HB   ILE  44           HB       ILE  44  10.877  -0.580  -0.186
  277   1HG1  ILE  44          1HG1      ILE  44  12.726   1.094  -0.145
  278   2HG1  ILE  44          2HG1      ILE  44  12.052   1.774   1.322
  279   1HG2  ILE  44          1HG2      ILE  44  10.788   1.579  -1.459
  280   2HG2  ILE  44          2HG2      ILE  44   9.203   0.853  -1.098
  281   3HG2  ILE  44          3HG2      ILE  44   9.784   2.242  -0.146
  282   1HD1  ILE  44          1HD1      ILE  44  12.795  -1.171   1.061
  283   2HD1  ILE  44          2HD1      ILE  44  13.911   0.069   1.682
  284   3HD1  ILE  44          3HD1      ILE  44  12.399  -0.284   2.553
  285    H    CYS  45           H        CYS  45   8.383   2.092   2.414
  286    HA   CYS  45           HA       CYS  45   5.918   0.877   1.530
  287   1HB   CYS  45          1HB       CYS  45   4.811   2.624   2.763
  288   2HB   CYS  45          2HB       CYS  45   6.032   1.856   3.760
  289    H    ARG  46           H        ARG  46   8.181   3.543   0.776
  290    HA   ARG  46           HA       ARG  46   6.602   4.132  -1.564
  291   1HB   ARG  46          1HB       ARG  46   5.977   5.686   0.444
  292   2HB   ARG  46          2HB       ARG  46   7.566   6.397   0.236
  293   1HG   ARG  46          1HG       ARG  46   7.050   7.072  -2.055
  294   2HG   ARG  46          2HG       ARG  46   5.552   6.162  -2.045
  295   1HD   ARG  46          1HD       ARG  46   5.001   8.506  -1.675
  296   2HD   ARG  46          2HD       ARG  46   4.705   7.647  -0.177
  297    HE   ARG  46           HE       ARG  46   7.194   9.248  -0.695
  298   1HH1  ARG  46          2HH2      ARG  46   5.418   7.458   1.717
  299   2HH1  ARG  46          1HH2      ARG  46   5.505   8.687   2.935
  300   1HH2  ARG  46          1HH1      ARG  46   6.910  10.601   2.519
  301    H    ILE  47           H        ILE  47   7.874   5.077  -3.293
  302    HA   ILE  47           HA       ILE  47  10.702   4.528  -2.903
  303    HB   ILE  47           HB       ILE  47   9.067   4.982  -5.402
  304   1HG1  ILE  47          1HG1      ILE  47  10.012   2.358  -5.349
  305   2HG1  ILE  47          2HG1      ILE  47   9.490   2.647  -3.701
  306   1HG2  ILE  47          1HG2      ILE  47  11.890   3.915  -5.190
  307   2HG2  ILE  47          2HG2      ILE  47  10.972   4.309  -6.663
  308   3HG2  ILE  47          3HG2      ILE  47  11.494   5.609  -5.566
  309   1HD1  ILE  47          1HD1      ILE  47   7.277   3.415  -4.497
  310   2HD1  ILE  47          2HD1      ILE  47   7.803   3.205  -6.184
  311   3HD1  ILE  47          3HD1      ILE  47   7.633   1.787  -5.122
  312    HA   PRO  48           HA       PRO  48  11.631   8.770  -2.856
  313   1HB   PRO  48          1HB       PRO  48  14.351   8.606  -3.077
  314   2HB   PRO  48          2HB       PRO  48  13.499   8.420  -1.555
  315   1HG   PRO  48          1HG       PRO  48  14.751   6.343  -3.246
  316   2HG   PRO  48          2HG       PRO  48  14.283   6.251  -1.560
  317   1HD   PRO  48          1HD       PRO  48  12.887   5.115  -3.792
  318   2HD   PRO  48          2HD       PRO  48  12.360   5.123  -2.121
  319    H    ARG  49           H        ARG  49  13.236  10.387  -4.126
  320    HA   ARG  49           HA       ARG  49  12.510   9.765  -6.870
  321   1HB   ARG  49          1HB       ARG  49  11.712  12.163  -7.091
  322   2HB   ARG  49          2HB       ARG  49  10.727  11.193  -6.015
  323   1HG   ARG  49          1HG       ARG  49  11.792  12.149  -4.041
  324   2HG   ARG  49          2HG       ARG  49  13.017  12.941  -5.013
  325   1HD   ARG  49          1HD       ARG  49  11.256  14.357  -6.088
  326   2HD   ARG  49          2HD       ARG  49  10.024  13.559  -5.133
  327    HE   ARG  49           HE       ARG  49  11.949  15.565  -4.183
  328   1HH1  ARG  49          2HH2      ARG  49   9.859  12.897  -3.158
  329   2HH1  ARG  49          1HH2      ARG  49   9.577  13.558  -1.582
  330   1HH2  ARG  49          1HH1      ARG  49  10.608  15.636  -0.979
  331    H    GLY  50           H        GLY  50  15.117   9.702  -5.416
  332   1HA   GLY  50          1HA       GLY  50  16.853  10.685  -7.229
  333   2HA   GLY  50          2HA       GLY  50  16.554  12.082  -6.214
  334    H    ASP  51           H        ASP  51  18.060  12.343  -4.632
  335    HA   ASP  51           HA       ASP  51  19.505   9.998  -3.790
  336   1HB   ASP  51          1HB       ASP  51  20.964  11.686  -2.612
  337   2HB   ASP  51          2HB       ASP  51  20.850  11.942  -4.342
  338    H    MET  52           H        MET  52  16.625  11.368  -2.980
  339    HA   MET  52           HA       MET  52  16.867  11.754  -0.218
  340   1HB   MET  52          1HB       MET  52  14.562  11.182  -2.138
  341   2HB   MET  52          2HB       MET  52  14.263  11.330  -0.418
  342   1HG   MET  52          1HG       MET  52  15.770  13.481  -1.964
  343   2HG   MET  52          2HG       MET  52  14.021  13.481  -1.861
  344   1HE   MET  52          1HE       MET  52  12.819  13.048   0.519
  345   2HE   MET  52          2HE       MET  52  13.167  14.341   1.691
  346   3HE   MET  52          3HE       MET  52  12.811  14.750  -0.004
  347    HA   PRO  53           HA       PRO  53  16.645   7.682   1.258
  348   1HB   PRO  53          1HB       PRO  53  15.444   8.003   3.692
  349   2HB   PRO  53          2HB       PRO  53  17.140   8.340   3.409
  350   1HG   PRO  53          1HG       PRO  53  14.903  10.243   3.745
  351   2HG   PRO  53          2HG       PRO  53  16.625  10.537   3.886
  352   1HD   PRO  53          1HD       PRO  53  14.938  11.249   1.679
  353   2HD   PRO  53          2HD       PRO  53  16.677  11.438   1.771
  354    H    ASP  54           H        ASP  54  15.500   5.780   1.192
  355    HA   ASP  54           HA       ASP  54  12.924   6.033   0.131
  356   1HB   ASP  54          1HB       ASP  54  12.852   3.529   0.472
  357   2HB   ASP  54          2HB       ASP  54  14.260   4.087  -0.410
  358    H    ASP  55           H        ASP  55  10.877   5.768   1.187
  359    HA   ASP  55           HA       ASP  55  10.966   6.025   4.036
  360   1HB   ASP  55          1HB       ASP  55   8.602   5.887   2.105
  361   2HB   ASP  55          2HB       ASP  55   8.485   6.303   3.803
  362    H    ARG  56           H        ARG  56   9.803   4.470   5.496
  363    HA   ARG  56           HA       ARG  56   9.966   1.838   4.265
  364   1HB   ARG  56          1HB       ARG  56  11.283   2.831   6.838
  365   2HB   ARG  56          2HB       ARG  56  11.152   1.129   6.440
  366   1HG   ARG  56          1HG       ARG  56  12.476   1.431   4.402
  367   2HG   ARG  56          2HG       ARG  56  12.455   3.173   4.586
  368   1HD   ARG  56          1HD       ARG  56  13.809   3.042   6.629
  369   2HD   ARG  56          2HD       ARG  56  13.689   1.293   6.655
  370    HE   ARG  56           HE       ARG  56  14.793   2.103   4.133
  371   1HH1  ARG  56          2HH2      ARG  56  15.681   1.937   7.559
  372   2HH1  ARG  56          1HH2      ARG  56  17.374   1.758   7.239
  373   1HH2  ARG  56          1HH1      ARG  56  18.146   1.756   4.970
  374    H    CYS  57           H        CYS  57   8.932   0.076   5.633
  375    HA   CYS  57           HA       CYS  57   6.435   1.063   6.591
  376   1HB   CYS  57          1HB       CYS  57   7.601  -1.556   5.882
  377   2HB   CYS  57          2HB       CYS  57   6.401  -1.600   7.158
  378    H    THR  58           H        THR  58   5.648  -0.258   8.784
  379    HA   THR  58           HA       THR  58   7.537   0.911  10.715
  380    HB   THR  58           HB       THR  58   4.527   0.589  11.059
  381    HG1  THR  58           HG1      THR  58   4.795   1.766   9.103
  382   1HG2  THR  58          1HG2      THR  58   4.790   2.626  12.421
  383   2HG2  THR  58          2HG2      THR  58   5.947   1.404  13.001
  384   3HG2  THR  58          3HG2      THR  58   6.508   2.741  11.969
  385    H    GLY  59           H        GLY  59   6.190  -2.066   9.644
  386   1HA   GLY  59          1HA       GLY  59   5.688  -4.026  10.616
  387   2HA   GLY  59          2HA       GLY  59   6.884  -3.641  11.838
  388    H    GLN  60           H        GLN  60   3.585  -2.359  10.910
  389    HA   GLN  60           HA       GLN  60   2.566  -2.677  13.493
  390   1HB   GLN  60          1HB       GLN  60   4.439  -0.780  13.630
  391   2HB   GLN  60          2HB       GLN  60   3.177   0.228  12.954
  392   1HG   GLN  60          1HG       GLN  60   2.868  -1.471  15.474
  393   2HG   GLN  60          2HG       GLN  60   3.216   0.247  15.472
  394   1HE2  GLN  60          1HE2      GLN  60   0.854  -1.918  15.880
  395   2HE2  GLN  60          2HE2      GLN  60  -0.548  -1.025  15.390
  396    H    SER  61           H        SER  61   2.586  -0.827  10.366
  397    HA   SER  61           HA       SER  61  -0.143  -0.044  11.029
  398   1HB   SER  61          1HB       SER  61   2.014   1.785   9.890
  399   2HB   SER  61          2HB       SER  61   0.375   2.252  10.296
  400    HG   SER  61           HG       SER  61   0.899   1.570  12.555
  401    H    ALA  62           H        ALA  62  -1.360   0.841   9.059
  402    HA   ALA  62           HA       ALA  62  -0.483  -0.554   6.648
  403   1HB   ALA  62          1HB       ALA  62  -3.111   0.688   7.538
  404   2HB   ALA  62          2HB       ALA  62  -2.836   0.053   5.898
  405   3HB   ALA  62          3HB       ALA  62  -2.743  -1.037   7.303
  406    H    ASP  63           H        ASP  63  -1.145   2.686   8.032
  407    HA   ASP  63           HA       ASP  63  -0.391   3.935   5.575
  408   1HB   ASP  63          1HB       ASP  63  -0.429   6.031   7.036
  409   2HB   ASP  63          2HB       ASP  63  -1.946   5.160   6.934
  410    H    CYS  64           H        CYS  64   1.665   5.030   5.237
  411    HA   CYS  64           HA       CYS  64   3.800   3.991   6.865
  412   1HB   CYS  64          1HB       CYS  64   3.802   4.137   4.320
  413   2HB   CYS  64          2HB       CYS  64   4.040   5.864   4.511
  414    HA   PRO  65           HA       PRO  65   4.270   7.884   8.969
  415   1HB   PRO  65          1HB       PRO  65   6.510   7.227  10.388
  416   2HB   PRO  65          2HB       PRO  65   4.885   6.918  10.966
  417   1HG   PRO  65          1HG       PRO  65   6.856   5.008   9.869
  418   2HG   PRO  65          2HG       PRO  65   5.426   4.680  10.827
  419   1HD   PRO  65          1HD       PRO  65   5.719   4.310   7.998
  420   2HD   PRO  65          2HD       PRO  65   4.256   4.094   8.938
  421    H    ARG  66           H        ARG  66   7.501   6.588   8.497
  422    HA   ARG  66           HA       ARG  66   7.827   8.074   6.131
  423   1HB   ARG  66          1HB       ARG  66   8.134   9.676   8.311
  424   2HB   ARG  66          2HB       ARG  66   9.753   9.012   8.246
  425   1HG   ARG  66          1HG       ARG  66   8.373  10.269   5.831
  426   2HG   ARG  66          2HG       ARG  66   9.399  11.176   6.925
  427   1HD   ARG  66          1HD       ARG  66  11.293   9.590   6.436
  428   2HD   ARG  66          2HD       ARG  66  10.264   8.725   5.313
  429    HE   ARG  66           HE       ARG  66  10.403  11.593   4.747
  430   1HH1  ARG  66          2HH2      ARG  66  12.193   8.567   4.330
  431   2HH1  ARG  66          1HH2      ARG  66  12.778   8.983   2.753
  432   1HH2  ARG  66          1HH1      ARG  66  12.346  11.183   1.895
  433    H    TYR  67           H        TYR  67   9.679   6.824   9.017
  434    HA   TYR  67           HA       TYR  67  11.254   5.144   7.244
  435   1HB   TYR  67          1HB       TYR  67  12.161   7.620   7.552
  436   2HB   TYR  67          2HB       TYR  67  12.471   7.162   9.215
  437    HD1  TYR  67           HD1      TYR  67  14.189   5.445   9.746
  438    HD2  TYR  67           HD2      TYR  67  13.567   6.837   5.749
  439    HE1  TYR  67           HE1      TYR  67  16.439   4.485   9.054
  440    HE2  TYR  67           HE2      TYR  67  15.820   5.872   5.070
  441    HH   TYR  67           HH       TYR  67  17.475   4.576   5.674
  442    H    HIS  68           H        HIS  68  12.681   3.640   8.480
  443    HA   HIS  68           HA       HIS  68  12.285   3.591  11.326
  444   1HB   HIS  68          1HB       HIS  68  10.644   1.986   9.619
  445   2HB   HIS  68          2HB       HIS  68  11.752   0.921  10.460
  446    HD1  HIS  68           HD1      HIS  68   9.703   3.982  11.580
  447    HD2  HIS  68           HD2      HIS  68  10.545   0.037  12.729
  448    HE1  HIS  68           HE1      HIS  68   8.414   3.578  13.745
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1 -21.281   7.058   7.519
    2   2H    GLY   1          2H        GLY   1 -20.049   5.953   7.550
    3   3H    GLY   1          3H        GLY   1 -20.882   6.225   6.145
    4   1HA   GLY   1          1HA       GLY   1 -22.267   5.292   8.526
    5   2HA   GLY   1          2HA       GLY   1 -22.767   5.170   6.851
    6    H    LYS   2           H        LYS   2 -22.160   3.368   5.609
    7    HA   LYS   2           HA       LYS   2 -20.607   1.308   6.832
    8   1HB   LYS   2          1HB       LYS   2 -21.724   1.703   4.045
    9   2HB   LYS   2          2HB       LYS   2 -20.792   0.296   4.512
   10   1HG   LYS   2          1HG       LYS   2 -23.167   1.146   6.195
   11   2HG   LYS   2          2HG       LYS   2 -23.432   0.250   4.712
   12   1HD   LYS   2          1HD       LYS   2 -21.833  -1.526   5.552
   13   2HD   LYS   2          2HD       LYS   2 -21.700  -0.649   7.064
   14   1HE   LYS   2          1HE       LYS   2 -24.350  -1.651   5.921
   15   2HE   LYS   2          2HE       LYS   2 -23.396  -2.548   7.085
   16   1HZ   LYS   2          1HZ       LYS   2 -23.557  -0.496   8.536
   17   2HZ   LYS   2          2HZ       LYS   2 -24.668   0.095   7.503
   18    H    GLU   3           H        GLU   3 -18.424   1.177   6.940
   19    HA   GLU   3           HA       GLU   3 -17.046   3.321   5.564
   20   1HB   GLU   3          1HB       GLU   3 -15.994   1.577   7.828
   21   2HB   GLU   3          2HB       GLU   3 -15.331   3.102   7.272
   22   1HG   GLU   3          1HG       GLU   3 -18.066   2.713   8.577
   23   2HG   GLU   3          2HG       GLU   3 -16.658   3.423   9.341
   24    H    CYS   4           H        CYS   4 -15.747   2.894   3.821
   25    HA   CYS   4           HA       CYS   4 -15.605   0.130   3.045
   26   1HB   CYS   4          1HB       CYS   4 -14.783   2.643   1.576
   27   2HB   CYS   4          2HB       CYS   4 -14.783   1.027   0.899
   28    H    ASP   5           H        ASP   5 -13.730  -1.119   3.075
   29    HA   ASP   5           HA       ASP   5 -11.498   0.006   4.430
   30   1HB   ASP   5          1HB       ASP   5 -12.120  -2.725   3.235
   31   2HB   ASP   5          2HB       ASP   5 -10.542  -2.370   3.912
   32    H    CYS   6           H        CYS   6 -12.610  -0.253   1.169
   33    HA   CYS   6           HA       CYS   6  -9.925   0.522   0.293
   34   1HB   CYS   6          1HB       CYS   6 -11.967  -0.970  -1.367
   35   2HB   CYS   6          2HB       CYS   6 -10.397  -0.413  -1.910
   36    H    SER   7           H        SER   7 -10.035   2.118  -1.594
   37    HA   SER   7           HA       SER   7 -12.351   3.797  -1.383
   38   1HB   SER   7          1HB       SER   7 -10.120   4.164  -3.399
   39   2HB   SER   7          2HB       SER   7 -11.117   5.390  -2.640
   40    HG   SER   7           HG       SER   7 -10.043   4.931  -0.605
   41    H    SER   8           H        SER   8 -10.971   1.301  -3.501
   42    HA   SER   8           HA       SER   8 -12.856   2.080  -5.579
   43   1HB   SER   8          1HB       SER   8 -10.235   0.532  -5.719
   44   2HB   SER   8          2HB       SER   8 -11.324   0.699  -7.083
   45    HG   SER   8           HG       SER   8  -9.629   2.315  -7.098
   46    HA   PRO   9           HA       PRO   9 -14.715  -1.902  -5.077
   47   1HB   PRO   9          1HB       PRO   9 -16.176  -1.992  -7.384
   48   2HB   PRO   9          2HB       PRO   9 -16.738  -1.203  -5.924
   49   1HG   PRO   9          1HG       PRO   9 -15.704   0.018  -8.410
   50   2HG   PRO   9          2HG       PRO   9 -16.650   0.758  -7.135
   51   1HD   PRO   9          1HD       PRO   9 -13.832   1.060  -7.579
   52   2HD   PRO   9          2HD       PRO   9 -14.757   1.706  -6.238
   53    H    GLU  10           H        GLU  10 -12.756  -0.971  -7.733
   54    HA   GLU  10           HA       GLU  10 -12.626  -3.592  -8.794
   55   1HB   GLU  10          1HB       GLU  10 -10.949  -1.091  -9.255
   56   2HB   GLU  10          2HB       GLU  10 -10.694  -2.587 -10.131
   57   1HG   GLU  10          1HG       GLU  10 -13.053  -2.517 -10.952
   58   2HG   GLU  10          2HG       GLU  10 -13.324  -1.032 -10.062
   59    H    ASN  11           H        ASN  11 -11.161  -1.928  -6.123
   60    HA   ASN  11           HA       ASN  11  -8.711  -3.160  -6.013
   61   1HB   ASN  11          1HB       ASN  11  -9.639  -1.297  -4.500
   62   2HB   ASN  11          2HB       ASN  11 -10.521  -2.532  -3.625
   63   1HD2  ASN  11          1HD2      ASN  11  -8.145  -0.653  -3.114
   64   2HD2  ASN  11          2HD2      ASN  11  -6.952  -1.649  -2.350
   65    HA   PRO  12           HA       PRO  12 -10.335  -7.200  -5.549
   66   1HB   PRO  12          1HB       PRO  12  -8.000  -8.611  -5.702
   67   2HB   PRO  12          2HB       PRO  12  -8.862  -8.031  -7.112
   68   1HG   PRO  12          1HG       PRO  12  -6.385  -6.977  -5.892
   69   2HG   PRO  12          2HG       PRO  12  -7.020  -6.700  -7.503
   70   1HD   PRO  12          1HD       PRO  12  -7.114  -4.884  -5.284
   71   2HD   PRO  12          2HD       PRO  12  -7.850  -4.656  -6.858
   72    H    CYS  13           H        CYS  13  -8.498  -5.605  -3.288
   73    HA   CYS  13           HA       CYS  13  -8.426  -7.700  -1.382
   74   1HB   CYS  13          1HB       CYS  13  -8.386  -4.720  -0.878
   75   2HB   CYS  13          2HB       CYS  13  -7.857  -5.984   0.215
   76    H    CYS  14           H        CYS  14 -10.785  -5.326  -2.566
   77    HA   CYS  14           HA       CYS  14 -12.563  -6.056  -0.354
   78   1HB   CYS  14          1HB       CYS  14 -12.391  -3.488  -1.939
   79   2HB   CYS  14          2HB       CYS  14 -13.720  -3.881  -0.866
   80    H    ASP  15           H        ASP  15 -14.674  -6.802  -0.932
   81    HA   ASP  15           HA       ASP  15 -15.208  -7.191  -3.704
   82   1HB   ASP  15          1HB       ASP  15 -15.989  -8.670  -1.731
   83   2HB   ASP  15          2HB       ASP  15 -17.156  -7.413  -1.369
   84    H    ALA  16           H        ALA  16 -17.115  -6.166  -4.804
   85    HA   ALA  16           HA       ALA  16 -17.222  -3.389  -4.259
   86   1HB   ALA  16          1HB       ALA  16 -18.849  -5.153  -6.136
   87   2HB   ALA  16          2HB       ALA  16 -18.773  -3.375  -6.188
   88   3HB   ALA  16          3HB       ALA  16 -17.316  -4.340  -6.529
   89    H    ALA  17           H        ALA  17 -19.227  -6.224  -3.453
   90    HA   ALA  17           HA       ALA  17 -21.591  -4.715  -3.007
   91   1HB   ALA  17          1HB       ALA  17 -20.833  -7.516  -2.086
   92   2HB   ALA  17          2HB       ALA  17 -22.477  -6.845  -2.210
   93   3HB   ALA  17          3HB       ALA  17 -21.513  -7.119  -3.681
   94    H    THR  18           H        THR  18 -18.874  -5.928  -0.998
   95    HA   THR  18           HA       THR  18 -20.193  -5.000   1.419
   96    HB   THR  18           HB       THR  18 -18.246  -6.107   2.499
   97    HG1  THR  18           HG1      THR  18 -16.515  -6.714   1.128
   98   1HG2  THR  18          1HG2      THR  18 -20.127  -7.582   1.497
   99   2HG2  THR  18          2HG2      THR  18 -19.045  -7.830   0.105
  100   3HG2  THR  18          3HG2      THR  18 -18.551  -8.379   1.725
  101    H    CYS  19           H        CYS  19 -17.792  -3.928  -0.933
  102    HA   CYS  19           HA       CYS  19 -16.584  -2.096  -1.072
  103   1HB   CYS  19          1HB       CYS  19 -18.778  -1.119   0.069
  104   2HB   CYS  19          2HB       CYS  19 -17.679  -0.847   1.407
  105    H    LYS  20           H        LYS  20 -15.988  -4.544   0.696
  106    HA   LYS  20           HA       LYS  20 -14.067  -3.396   2.529
  107   1HB   LYS  20          1HB       LYS  20 -16.743  -4.357   3.362
  108   2HB   LYS  20          2HB       LYS  20 -15.399  -4.989   4.293
  109   1HG   LYS  20          1HG       LYS  20 -14.556  -2.629   4.615
  110   2HG   LYS  20          2HG       LYS  20 -15.963  -2.034   3.758
  111   1HD   LYS  20          1HD       LYS  20 -16.292  -3.857   6.165
  112   2HD   LYS  20          2HD       LYS  20 -16.023  -2.139   6.386
  113   1HE   LYS  20          1HE       LYS  20 -18.006  -1.682   4.871
  114   2HE   LYS  20          2HE       LYS  20 -18.301  -3.408   4.792
  115   1HZ   LYS  20          1HZ       LYS  20 -19.630  -2.355   6.541
  116   2HZ   LYS  20          2HZ       LYS  20 -18.591  -3.414   7.214
  117    H    LEU  21           H        LEU  21 -13.015  -5.353   3.833
  118    HA   LEU  21           HA       LEU  21 -11.734  -6.563   1.660
  119   1HB   LEU  21          1HB       LEU  21 -11.458  -7.168   4.608
  120   2HB   LEU  21          2HB       LEU  21 -10.314  -7.588   3.347
  121    HG   LEU  21           HG       LEU  21 -11.060  -4.711   3.855
  122   1HD1  LEU  21          1HD1      LEU  21 -10.396  -5.565   6.021
  123   2HD1  LEU  21          2HD1      LEU  21  -8.937  -6.304   5.318
  124   3HD1  LEU  21          3HD1      LEU  21  -9.109  -4.532   5.357
  125   1HD2  LEU  21          1HD2      LEU  21  -9.854  -5.291   1.778
  126   2HD2  LEU  21          2HD2      LEU  21  -8.908  -4.238   2.857
  127   3HD2  LEU  21          3HD2      LEU  21  -8.536  -5.976   2.757
  128    H    ARG  22           H        ARG  22 -12.131  -8.462   0.585
  129    HA   ARG  22           HA       ARG  22 -13.852 -10.396   1.724
  130   1HB   ARG  22          1HB       ARG  22 -11.826 -10.779  -0.533
  131   2HB   ARG  22          2HB       ARG  22 -13.242 -11.763  -0.224
  132   1HG   ARG  22          1HG       ARG  22 -14.528 -10.370  -1.463
  133   2HG   ARG  22          2HG       ARG  22 -14.108  -9.017  -0.432
  134   1HD   ARG  22          1HD       ARG  22 -13.441  -8.513  -2.745
  135   2HD   ARG  22          2HD       ARG  22 -12.006  -8.664  -1.750
  136    HE   ARG  22           HE       ARG  22 -12.054 -11.155  -2.627
  137   1HH1  ARG  22          2HH2      ARG  22 -12.334  -8.155  -4.445
  138   2HH1  ARG  22          1HH2      ARG  22 -12.371  -8.930  -5.993
  139   1HH2  ARG  22          1HH1      ARG  22 -12.022 -11.304  -6.108
  140    HA   PRO  23           HA       PRO  23 -10.168 -13.031   1.501
  141   1HB   PRO  23          1HB       PRO  23  -7.598 -12.212   1.067
  142   2HB   PRO  23          2HB       PRO  23  -8.733 -12.529  -0.229
  143   1HG   PRO  23          1HG       PRO  23  -7.785  -9.929   0.810
  144   2HG   PRO  23          2HG       PRO  23  -8.564 -10.281  -0.719
  145   1HD   PRO  23          1HD       PRO  23  -9.774  -9.075   1.585
  146   2HD   PRO  23          2HD       PRO  23 -10.579  -9.533   0.098
  147    H    GLY  24           H        GLY  24  -7.914 -13.898   2.584
  148   1HA   GLY  24          1HA       GLY  24  -7.930 -13.204   5.339
  149   2HA   GLY  24          2HA       GLY  24  -6.694 -14.092   4.469
  150    H    ALA  25           H        ALA  25  -8.013 -10.709   4.765
  151    HA   ALA  25           HA       ALA  25  -5.284  -9.768   4.205
  152   1HB   ALA  25          1HB       ALA  25  -6.669  -7.786   3.146
  153   2HB   ALA  25          2HB       ALA  25  -6.390  -9.278   2.215
  154   3HB   ALA  25          3HB       ALA  25  -7.952  -9.014   3.027
  155    H    GLN  26           H        GLN  26  -4.889  -7.504   5.037
  156    HA   GLN  26           HA       GLN  26  -6.364  -7.200   7.534
  157   1HB   GLN  26          1HB       GLN  26  -3.471  -6.621   6.809
  158   2HB   GLN  26          2HB       GLN  26  -4.213  -5.916   8.232
  159   1HG   GLN  26          1HG       GLN  26  -4.297  -8.915   7.701
  160   2HG   GLN  26          2HG       GLN  26  -2.951  -8.164   8.536
  161   1HE2  GLN  26          1HE2      GLN  26  -3.511  -6.731  10.385
  162   2HE2  GLN  26          2HE2      GLN  26  -4.780  -7.224  11.457
  163    H    CYS  27           H        CYS  27  -4.978  -5.564   4.659
  164    HA   CYS  27           HA       CYS  27  -6.650  -3.261   5.312
  165   1HB   CYS  27          1HB       CYS  27  -4.854  -1.754   4.498
  166   2HB   CYS  27          2HB       CYS  27  -4.504  -2.549   6.021
  167    H    GLY  28           H        GLY  28  -7.025  -1.898   3.266
  168   1HA   GLY  28          1HA       GLY  28  -7.111  -3.668   0.910
  169   2HA   GLY  28          2HA       GLY  28  -8.162  -2.302   1.224
  170    H    GLU  29           H        GLU  29  -6.101  -0.423   2.127
  171    HA   GLU  29           HA       GLU  29  -4.565  -0.124  -0.313
  172   1HB   GLU  29          1HB       GLU  29  -6.634   1.835   0.743
  173   2HB   GLU  29          2HB       GLU  29  -5.334   2.357  -0.309
  174   1HG   GLU  29          1HG       GLU  29  -6.051   0.653  -2.014
  175   2HG   GLU  29          2HG       GLU  29  -7.372   0.178  -0.966
  176    H    GLY  30           H        GLY  30  -2.832   1.568  -0.103
  177   1HA   GLY  30          1HA       GLY  30  -2.185   3.239   1.807
  178   2HA   GLY  30          2HA       GLY  30  -1.887   1.740   2.664
  179    H    LEU  31           H        LEU  31   0.261   3.408   2.311
  180    HA   LEU  31           HA       LEU  31   1.662   2.770  -0.099
  181   1HB   LEU  31          1HB       LEU  31   2.285   4.272   2.422
  182   2HB   LEU  31          2HB       LEU  31   3.566   3.853   1.302
  183    HG   LEU  31           HG       LEU  31   2.635   6.159   1.036
  184   1HD1  LEU  31          1HD1      LEU  31   2.682   6.149  -1.368
  185   2HD1  LEU  31          2HD1      LEU  31   3.856   4.954  -0.765
  186   3HD1  LEU  31          3HD1      LEU  31   2.290   4.414  -1.416
  187   1HD2  LEU  31          1HD2      LEU  31   0.193   4.765  -0.092
  188   2HD2  LEU  31          2HD2      LEU  31   0.268   5.553   1.503
  189   3HD2  LEU  31          3HD2      LEU  31   0.484   6.517   0.022
  190    H    CYS  32           H        CYS  32   1.337   1.436   3.170
  191    HA   CYS  32           HA       CYS  32   3.652  -0.269   2.664
  192   1HB   CYS  32          1HB       CYS  32   3.768   1.022   4.713
  193   2HB   CYS  32          2HB       CYS  32   2.210   0.410   5.234
  194    H    CYS  33           H        CYS  33   0.513  -0.263   1.876
  195    HA   CYS  33           HA       CYS  33  -0.269  -2.730   3.175
  196   1HB   CYS  33          1HB       CYS  33  -1.826  -0.805   3.049
  197   2HB   CYS  33          2HB       CYS  33  -1.830  -0.939   1.302
  198    H    GLU  34           H        GLU  34   1.071  -4.304   2.144
  199    HA   GLU  34           HA       GLU  34   0.655  -4.488  -0.738
  200   1HB   GLU  34          1HB       GLU  34   3.004  -5.659   0.805
  201   2HB   GLU  34          2HB       GLU  34   2.843  -5.515  -0.934
  202   1HG   GLU  34          1HG       GLU  34   2.779  -2.999  -0.681
  203   2HG   GLU  34          2HG       GLU  34   3.048  -3.192   1.040
  204    H    GLN  35           H        GLN  35   0.068  -6.532  -1.628
  205    HA   GLN  35           HA       GLN  35  -1.208  -8.289  -1.618
  206   1HB   GLN  35          1HB       GLN  35   1.037  -9.174  -0.571
  207   2HB   GLN  35          2HB       GLN  35   0.114  -9.299   0.914
  208   1HG   GLN  35          1HG       GLN  35  -1.590 -10.711  -0.287
  209   2HG   GLN  35          2HG       GLN  35  -0.618 -10.619  -1.743
  210   1HE2  GLN  35          1HE2      GLN  35  -1.450 -12.743   0.340
  211   2HE2  GLN  35          2HE2      GLN  35   0.005 -13.629   0.658
  212    H    CYS  36           H        CYS  36  -2.128  -5.908  -0.137
  213    HA   CYS  36           HA       CYS  36  -3.923  -5.316   0.977
  214   1HB   CYS  36          1HB       CYS  36  -4.752  -8.218   1.097
  215   2HB   CYS  36          2HB       CYS  36  -5.778  -6.807   1.264
  216    H    LYS  37           H        LYS  37  -1.352  -6.124   2.284
  217    HA   LYS  37           HA       LYS  37  -2.398  -6.539   4.970
  218   1HB   LYS  37          1HB       LYS  37  -0.432  -8.348   3.569
  219   2HB   LYS  37          2HB       LYS  37  -0.429  -8.181   5.313
  220   1HG   LYS  37          1HG       LYS  37  -2.883  -8.781   5.339
  221   2HG   LYS  37          2HG       LYS  37  -2.816  -9.030   3.606
  222   1HD   LYS  37          1HD       LYS  37  -0.928 -10.499   5.486
  223   2HD   LYS  37          2HD       LYS  37  -2.534 -11.114   5.149
  224   1HE   LYS  37          1HE       LYS  37  -2.001 -11.077   2.682
  225   2HE   LYS  37          2HE       LYS  37  -0.378 -10.535   3.061
  226   1HZ   LYS  37          1HZ       LYS  37  -0.499 -12.964   2.795
  227   2HZ   LYS  37          2HZ       LYS  37  -0.027 -12.590   4.309
  228    H    PHE  38           H        PHE  38  -0.972  -5.722   6.639
  229    HA   PHE  38           HA       PHE  38   0.621  -3.544   5.853
  230   1HB   PHE  38          1HB       PHE  38   0.420  -5.254   8.404
  231   2HB   PHE  38          2HB       PHE  38   1.281  -3.729   8.345
  232    HD1  PHE  38           HD1      PHE  38  -1.918  -5.315   8.719
  233    HD2  PHE  38           HD2      PHE  38  -0.021  -1.622   7.841
  234    HE1  PHE  38           HE1      PHE  38  -4.043  -4.095   9.262
  235    HE2  PHE  38           HE2      PHE  38  -2.146  -0.402   8.384
  236    HZ   PHE  38           HZ       PHE  38  -4.132  -1.653   9.088
  237    H    SER  39           H        SER  39   2.521  -3.753   4.737
  238    HA   SER  39           HA       SER  39   3.776  -6.257   4.656
  239   1HB   SER  39          1HB       SER  39   3.989  -5.104   2.647
  240   2HB   SER  39          2HB       SER  39   4.218  -3.552   3.430
  241    HG   SER  39           HG       SER  39   6.184  -4.346   2.434
  242    H    ARG  40           H        ARG  40   6.388  -6.292   4.888
  243    HA   ARG  40           HA       ARG  40   6.402  -6.219   7.710
  244   1HB   ARG  40          1HB       ARG  40   8.433  -7.200   5.646
  245   2HB   ARG  40          2HB       ARG  40   8.681  -7.373   7.373
  246   1HG   ARG  40          1HG       ARG  40   6.115  -8.374   6.096
  247   2HG   ARG  40          2HG       ARG  40   7.570  -9.349   6.027
  248   1HD   ARG  40          1HD       ARG  40   7.748  -9.275   8.521
  249   2HD   ARG  40          2HD       ARG  40   6.308  -8.278   8.600
  250    HE   ARG  40           HE       ARG  40   4.977 -10.168   8.153
  251   1HH1  ARG  40          2HH2      ARG  40   8.361 -10.935   7.436
  252   2HH1  ARG  40          1HH2      ARG  40   8.085 -12.643   7.350
  253   1HH2  ARG  40          1HH1      ARG  40   5.864 -13.490   7.653
  254    H    ALA  41           H        ALA  41   7.863  -5.065   9.106
  255    HA   ALA  41           HA       ALA  41   8.332  -2.460   8.204
  256   1HB   ALA  41          1HB       ALA  41   7.789  -3.048  10.530
  257   2HB   ALA  41          2HB       ALA  41   9.328  -3.931  10.678
  258   3HB   ALA  41          3HB       ALA  41   9.333  -2.165  10.453
  259    H    GLY  42           H        GLY  42   9.980  -1.640   7.017
  260   1HA   GLY  42          1HA       GLY  42  12.459  -1.520   6.908
  261   2HA   GLY  42          2HA       GLY  42  12.445  -3.271   6.853
  262    H    LYS  43           H        LYS  43   9.940  -3.401   5.192
  263    HA   LYS  43           HA       LYS  43  11.205  -3.265   2.665
  264   1HB   LYS  43          1HB       LYS  43   9.486  -4.950   3.384
  265   2HB   LYS  43          2HB       LYS  43   8.272  -3.690   3.301
  266   1HG   LYS  43          1HG       LYS  43   8.487  -3.451   0.944
  267   2HG   LYS  43          2HG       LYS  43  10.075  -4.193   0.914
  268   1HD   LYS  43          1HD       LYS  43   7.901  -5.945   1.970
  269   2HD   LYS  43          2HD       LYS  43   7.731  -5.503   0.282
  270   1HE   LYS  43          1HE       LYS  43   9.030  -7.550   0.360
  271   2HE   LYS  43          2HE       LYS  43  10.123  -6.260  -0.106
  272   1HZ   LYS  43          1HZ       LYS  43  10.971  -6.168   2.127
  273   2HZ   LYS  43          2HZ       LYS  43   9.829  -7.176   2.703
  274    H    ILE  44           H        ILE  44  11.109  -1.726   1.056
  275    HA   ILE  44           HA       ILE  44  10.663   0.884   1.975
  276    HB   ILE  44           HB       ILE  44  11.533  -0.437  -0.525
  277   1HG1  ILE  44          1HG1      ILE  44  13.323   1.323  -0.306
  278   2HG1  ILE  44          2HG1      ILE  44  12.553   1.853   1.177
  279   1HG2  ILE  44          1HG2      ILE  44  10.383   2.361  -0.485
  280   2HG2  ILE  44          2HG2      ILE  44  11.499   1.765  -1.736
  281   3HG2  ILE  44          3HG2      ILE  44   9.910   0.992  -1.520
  282   1HD1  ILE  44          1HD1      ILE  44  14.441   0.207   1.532
  283   2HD1  ILE  44          2HD1      ILE  44  12.889  -0.324   2.225
  284   3HD1  ILE  44          3HD1      ILE  44  13.462  -1.020   0.690
  285    H    CYS  45           H        CYS  45   8.827   2.052   2.130
  286    HA   CYS  45           HA       CYS  45   6.472   1.005   0.806
  287   1HB   CYS  45          1HB       CYS  45   5.308   2.789   2.154
  288   2HB   CYS  45          2HB       CYS  45   6.057   1.484   3.053
  289    H    ARG  46           H        ARG  46   8.860   3.645   0.689
  290    HA   ARG  46           HA       ARG  46   7.249   4.955  -1.329
  291   1HB   ARG  46          1HB       ARG  46   7.050   5.884   1.182
  292   2HB   ARG  46          2HB       ARG  46   8.578   6.650   0.800
  293   1HG   ARG  46          1HG       ARG  46   7.614   7.852  -1.076
  294   2HG   ARG  46          2HG       ARG  46   6.143   6.903  -1.016
  295   1HD   ARG  46          1HD       ARG  46   7.075   8.732   1.249
  296   2HD   ARG  46          2HD       ARG  46   5.931   9.217   0.012
  297    HE   ARG  46           HE       ARG  46   4.824   6.877   0.979
  298   1HH1  ARG  46          2HH2      ARG  46   5.777   9.965   2.426
  299   2HH1  ARG  46          1HH2      ARG  46   4.808   9.742   3.844
  300   1HH2  ARG  46          1HH1      ARG  46   3.385   7.818   3.998
  301    H    ILE  47           H        ILE  47   8.502   6.091  -2.904
  302    HA   ILE  47           HA       ILE  47  11.346   5.547  -2.780
  303    HB   ILE  47           HB       ILE  47   9.719   6.788  -4.997
  304   1HG1  ILE  47          1HG1      ILE  47   8.729   4.660  -4.562
  305   2HG1  ILE  47          2HG1      ILE  47   9.729   4.500  -5.993
  306   1HG2  ILE  47          1HG2      ILE  47  12.105   7.213  -5.185
  307   2HG2  ILE  47          2HG2      ILE  47  12.453   5.480  -4.975
  308   3HG2  ILE  47          3HG2      ILE  47  11.581   6.044  -6.421
  309   1HD1  ILE  47          1HD1      ILE  47  11.601   3.629  -4.488
  310   2HD1  ILE  47          2HD1      ILE  47  10.412   3.594  -3.163
  311   3HD1  ILE  47          3HD1      ILE  47  10.171   2.573  -4.602
  312    HA   PRO  48           HA       PRO  48  12.225   9.650  -1.573
  313   1HB   PRO  48          1HB       PRO  48  14.947   9.528  -1.771
  314   2HB   PRO  48          2HB       PRO  48  14.065   8.999  -0.352
  315   1HG   PRO  48          1HG       PRO  48  15.350   7.362  -2.453
  316   2HG   PRO  48          2HG       PRO  48  14.847   6.885  -0.843
  317   1HD   PRO  48          1HD       PRO  48  13.496   6.305  -3.306
  318   2HD   PRO  48          2HD       PRO  48  12.934   5.929  -1.690
  319    H    ARG  49           H        ARG  49  13.638  11.596  -2.387
  320    HA   ARG  49           HA       ARG  49  14.307  11.116  -5.155
  321   1HB   ARG  49          1HB       ARG  49  13.487  13.425  -5.772
  322   2HB   ARG  49          2HB       ARG  49  12.192  12.340  -5.307
  323   1HG   ARG  49          1HG       ARG  49  12.188  13.305  -3.008
  324   2HG   ARG  49          2HG       ARG  49  13.512  14.368  -3.441
  325   1HD   ARG  49          1HD       ARG  49  12.065  15.398  -5.234
  326   2HD   ARG  49          2HD       ARG  49  10.738  14.372  -4.726
  327    HE   ARG  49           HE       ARG  49  10.425  15.727  -2.832
  328   1HH1  ARG  49          2HH2      ARG  49  13.569  16.473  -4.284
  329   2HH1  ARG  49          1HH2      ARG  49  13.816  17.891  -3.320
  330   1HH2  ARG  49          1HH1      ARG  49  12.160  18.517  -1.705
  331    H    GLY  50           H        GLY  50  15.894  12.879  -5.969
  332   1HA   GLY  50          1HA       GLY  50  17.722  14.175  -5.703
  333   2HA   GLY  50          2HA       GLY  50  17.197  14.557  -4.076
  334    H    ASP  51           H        ASP  51  18.256  13.628  -2.333
  335    HA   ASP  51           HA       ASP  51  19.518  11.069  -2.845
  336   1HB   ASP  51          1HB       ASP  51  21.215  13.006  -2.863
  337   2HB   ASP  51          2HB       ASP  51  20.818  13.269  -1.176
  338    H    MET  52           H        MET  52  16.971  12.096  -1.546
  339    HA   MET  52           HA       MET  52  17.364  12.085   1.236
  340   1HB   MET  52          1HB       MET  52  14.960  11.800  -0.627
  341   2HB   MET  52          2HB       MET  52  14.754  11.678   1.109
  342   1HG   MET  52          1HG       MET  52  16.163  14.056  -0.182
  343   2HG   MET  52          2HG       MET  52  14.427  14.023   0.056
  344   1HE   MET  52          1HE       MET  52  16.994  15.870   1.314
  345   2HE   MET  52          2HE       MET  52  17.421  15.405   2.978
  346   3HE   MET  52          3HE       MET  52  17.905  14.370   1.613
  347    HA   PRO  53           HA       PRO  53  17.098   7.812   2.073
  348   1HB   PRO  53          1HB       PRO  53  15.948   7.768   4.551
  349   2HB   PRO  53          2HB       PRO  53  17.648   8.101   4.290
  350   1HG   PRO  53          1HG       PRO  53  15.475   9.984   4.975
  351   2HG   PRO  53          2HG       PRO  53  17.208  10.205   5.124
  352   1HD   PRO  53          1HD       PRO  53  15.506  11.309   3.095
  353   2HD   PRO  53          2HD       PRO  53  17.252  11.432   3.181
  354    H    ASP  54           H        ASP  54  15.886   5.959   1.787
  355    HA   ASP  54           HA       ASP  54  13.319   6.427   0.789
  356   1HB   ASP  54          1HB       ASP  54  13.152   3.902   0.851
  357   2HB   ASP  54          2HB       ASP  54  14.568   4.506   0.016
  358    H    ASP  55           H        ASP  55  11.247   6.007   1.801
  359    HA   ASP  55           HA       ASP  55  11.304   5.795   4.656
  360   1HB   ASP  55          1HB       ASP  55   9.682   7.250   3.310
  361   2HB   ASP  55          2HB       ASP  55   8.907   5.775   2.767
  362    H    ARG  56           H        ARG  56  10.210   3.986   5.820
  363    HA   ARG  56           HA       ARG  56  10.262   1.589   4.170
  364   1HB   ARG  56          1HB       ARG  56  11.590   2.059   6.884
  365   2HB   ARG  56          2HB       ARG  56  11.389   0.463   6.189
  366   1HG   ARG  56          1HG       ARG  56  12.767   1.042   4.259
  367   2HG   ARG  56          2HG       ARG  56  12.801   2.733   4.718
  368   1HD   ARG  56          1HD       ARG  56  14.112   2.224   6.733
  369   2HD   ARG  56          2HD       ARG  56  13.941   0.501   6.468
  370    HE   ARG  56           HE       ARG  56  15.113   1.706   4.133
  371   1HH1  ARG  56          2HH2      ARG  56  15.937   0.920   7.488
  372   2HH1  ARG  56          1HH2      ARG  56  17.620   0.691   7.153
  373   1HH2  ARG  56          1HH1      ARG  56  18.424   1.007   4.917
  374    H    CYS  57           H        CYS  57   9.019  -0.267   5.096
  375    HA   CYS  57           HA       CYS  57   6.515   0.641   5.849
  376   1HB   CYS  57          1HB       CYS  57   7.806  -1.937   5.335
  377   2HB   CYS  57          2HB       CYS  57   6.525  -2.038   6.527
  378    H    THR  58           H        THR  58   5.305   0.022   7.898
  379    HA   THR  58           HA       THR  58   7.111   0.455  10.177
  380    HB   THR  58           HB       THR  58   4.106   0.983   9.951
  381    HG1  THR  58           HG1      THR  58   5.378   2.183   8.354
  382   1HG2  THR  58          1HG2      THR  58   6.301   2.217  11.697
  383   2HG2  THR  58          2HG2      THR  58   4.570   2.627  11.740
  384   3HG2  THR  58          3HG2      THR  58   5.117   1.018  12.270
  385    H    GLY  59           H        GLY  59   5.194  -1.925   8.622
  386   1HA   GLY  59          1HA       GLY  59   4.619  -4.012   9.230
  387   2HA   GLY  59          2HA       GLY  59   5.708  -3.863  10.596
  388    H    GLN  60           H        GLN  60   2.793  -1.850   9.825
  389    HA   GLN  60           HA       GLN  60   1.282  -2.925  11.933
  390   1HB   GLN  60          1HB       GLN  60   3.245  -1.616  13.081
  391   2HB   GLN  60          2HB       GLN  60   2.387  -0.175  12.574
  392   1HG   GLN  60          1HG       GLN  60   1.062  -2.418  14.162
  393   2HG   GLN  60          2HG       GLN  60   1.823  -1.036  14.924
  394   1HE2  GLN  60          1HE2      GLN  60  -1.036  -2.213  14.221
  395   2HE2  GLN  60          2HE2      GLN  60  -1.966  -0.796  13.865
  396    H    SER  61           H        SER  61   2.103  -0.010   9.949
  397    HA   SER  61           HA       SER  61  -0.746   0.617   9.990
  398   1HB   SER  61          1HB       SER  61   0.850   2.169  11.288
  399   2HB   SER  61          2HB       SER  61   1.514   2.642   9.736
  400    HG   SER  61           HG       SER  61  -1.156   3.047  10.741
  401    H    ALA  62           H        ALA  62  -1.546   1.794   7.989
  402    HA   ALA  62           HA       ALA  62  -0.407   0.208   5.829
  403   1HB   ALA  62          1HB       ALA  62  -3.114   1.434   6.422
  404   2HB   ALA  62          2HB       ALA  62  -2.708   0.816   4.803
  405   3HB   ALA  62          3HB       ALA  62  -2.690  -0.281   6.205
  406    H    ASP  63           H        ASP  63  -1.476   3.618   6.577
  407    HA   ASP  63           HA       ASP  63   0.010   4.691   4.475
  408   1HB   ASP  63          1HB       ASP  63   0.169   6.708   6.019
  409   2HB   ASP  63          2HB       ASP  63  -1.460   6.135   5.722
  410    H    CYS  64           H        CYS  64   2.274   5.386   4.470
  411    HA   CYS  64           HA       CYS  64   3.907   4.260   6.587
  412   1HB   CYS  64          1HB       CYS  64   4.293   4.509   3.873
  413   2HB   CYS  64          2HB       CYS  64   5.241   5.842   4.505
  414    HA   PRO  65           HA       PRO  65   4.273   8.255   8.421
  415   1HB   PRO  65          1HB       PRO  65   6.377   7.770  10.097
  416   2HB   PRO  65          2HB       PRO  65   4.718   7.377  10.503
  417   1HG   PRO  65          1HG       PRO  65   6.905   5.564   9.688
  418   2HG   PRO  65          2HG       PRO  65   5.399   5.174  10.493
  419   1HD   PRO  65          1HD       PRO  65   6.023   4.753   7.726
  420   2HD   PRO  65          2HD       PRO  65   4.480   4.471   8.507
  421    H    ARG  66           H        ARG  66   7.591   7.046   8.172
  422    HA   ARG  66           HA       ARG  66   8.274   9.168   6.443
  423   1HB   ARG  66          1HB       ARG  66   7.888  10.455   8.551
  424   2HB   ARG  66          2HB       ARG  66   9.014   9.416   9.403
  425   1HG   ARG  66          1HG       ARG  66  10.192  11.455   8.778
  426   2HG   ARG  66          2HG       ARG  66  10.838  10.138   7.819
  427   1HD   ARG  66          1HD       ARG  66  10.380  12.229   6.474
  428   2HD   ARG  66          2HD       ARG  66   9.543  10.815   5.865
  429    HE   ARG  66           HE       ARG  66   7.487  11.778   6.479
  430   1HH1  ARG  66          2HH2      ARG  66  10.119  13.565   8.038
  431   2HH1  ARG  66          1HH2      ARG  66   9.096  14.863   8.558
  432   1HH2  ARG  66          1HH1      ARG  66   6.756  14.788   8.049
  433    H    TYR  67           H        TYR  67   9.492   7.142   9.218
  434    HA   TYR  67           HA       TYR  67  11.008   5.577   7.363
  435   1HB   TYR  67          1HB       TYR  67  12.361   7.740   8.042
  436   2HB   TYR  67          2HB       TYR  67  12.404   7.070   9.660
  437    HD1  TYR  67           HD1      TYR  67  13.733   5.049  10.154
  438    HD2  TYR  67           HD2      TYR  67  13.719   6.805   6.252
  439    HE1  TYR  67           HE1      TYR  67  15.810   3.717   9.539
  440    HE2  TYR  67           HE2      TYR  67  15.795   5.468   5.651
  441    HH   TYR  67           HH       TYR  67  17.099   3.063   7.879
  442    H    HIS  68           H        HIS  68  12.022   3.668   8.457
  443    HA   HIS  68           HA       HIS  68  11.581   3.427  11.273
  444   1HB   HIS  68          1HB       HIS  68   9.593   2.424   9.510
  445   2HB   HIS  68          2HB       HIS  68  10.465   1.034  10.129
  446    HD1  HIS  68           HD1      HIS  68   9.152   4.272  11.748
  447    HD2  HIS  68           HD2      HIS  68   9.218   0.123  12.364
  448    HE1  HIS  68           HE1      HIS  68   7.899   3.854  13.931
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1 -19.498  -0.104   4.749
    2   2H    GLY   1          2H        GLY   1 -20.480  -1.335   4.236
    3   3H    GLY   1          3H        GLY   1 -20.606   0.166   3.548
    4   1HA   GLY   1          1HA       GLY   1 -22.392  -0.348   5.114
    5   2HA   GLY   1          2HA       GLY   1 -21.163  -0.422   6.362
    6    H    LYS   2           H        LYS   2 -21.311   1.438   7.612
    7    HA   LYS   2           HA       LYS   2 -21.304   3.981   6.217
    8   1HB   LYS   2          1HB       LYS   2 -21.454   3.099   9.079
    9   2HB   LYS   2          2HB       LYS   2 -20.875   4.714   8.722
   10   1HG   LYS   2          1HG       LYS   2 -23.261   4.898   9.013
   11   2HG   LYS   2          2HG       LYS   2 -22.959   5.069   7.295
   12   1HD   LYS   2          1HD       LYS   2 -23.659   2.796   6.843
   13   2HD   LYS   2          2HD       LYS   2 -23.633   2.372   8.543
   14   1HE   LYS   2          1HE       LYS   2 -25.514   3.951   8.981
   15   2HE   LYS   2          2HE       LYS   2 -25.524   4.425   7.293
   16   1HZ   LYS   2          1HZ       LYS   2 -27.182   2.687   7.788
   17   2HZ   LYS   2          2HZ       LYS   2 -26.103   2.149   6.693
   18    H    GLU   3           H        GLU   3 -19.153   1.563   6.333
   19    HA   GLU   3           HA       GLU   3 -17.139   3.524   5.779
   20   1HB   GLU   3          1HB       GLU   3 -17.059   2.219   8.263
   21   2HB   GLU   3          2HB       GLU   3 -15.936   1.298   7.282
   22   1HG   GLU   3          1HG       GLU   3 -15.878   4.342   7.528
   23   2HG   GLU   3          2HG       GLU   3 -14.889   3.266   8.495
   24    H    CYS   4           H        CYS   4 -15.442   2.672   4.339
   25    HA   CYS   4           HA       CYS   4 -15.921  -0.094   3.507
   26   1HB   CYS   4          1HB       CYS   4 -15.082   2.205   1.729
   27   2HB   CYS   4          2HB       CYS   4 -15.178   0.524   1.242
   28    H    ASP   5           H        ASP   5 -14.008  -1.361   3.277
   29    HA   ASP   5           HA       ASP   5 -11.702  -0.254   4.529
   30   1HB   ASP   5          1HB       ASP   5 -12.550  -2.946   3.465
   31   2HB   ASP   5          2HB       ASP   5 -10.832  -2.662   3.670
   32    H    CYS   6           H        CYS   6 -13.010  -0.660   1.309
   33    HA   CYS   6           HA       CYS   6 -10.419   0.185   0.233
   34   1HB   CYS   6          1HB       CYS   6 -12.511  -1.409  -1.258
   35   2HB   CYS   6          2HB       CYS   6 -10.949  -0.896  -1.865
   36    H    SER   7           H        SER   7 -10.579   1.843  -1.465
   37    HA   SER   7           HA       SER   7 -12.988   3.397  -1.200
   38   1HB   SER   7          1HB       SER   7 -10.503   4.064  -2.829
   39   2HB   SER   7          2HB       SER   7 -11.741   5.178  -2.284
   40    HG   SER   7           HG       SER   7 -11.088   4.753  -0.075
   41    H    SER   8           H        SER   8 -11.509   1.072  -3.326
   42    HA   SER   8           HA       SER   8 -13.279   1.925  -5.478
   43   1HB   SER   8          1HB       SER   8 -10.743   0.234  -5.540
   44   2HB   SER   8          2HB       SER   8 -11.782   0.471  -6.932
   45    HG   SER   8           HG       SER   8 -10.568   2.642  -5.447
   46    HA   PRO   9           HA       PRO   9 -15.326  -1.967  -4.968
   47   1HB   PRO   9          1HB       PRO   9 -16.759  -2.000  -7.295
   48   2HB   PRO   9          2HB       PRO   9 -17.308  -1.186  -5.844
   49   1HG   PRO   9          1HG       PRO   9 -16.191  -0.013  -8.316
   50   2HG   PRO   9          2HG       PRO   9 -17.122   0.768  -7.054
   51   1HD   PRO   9          1HD       PRO   9 -14.288   0.952  -7.461
   52   2HD   PRO   9          2HD       PRO   9 -15.203   1.637  -6.133
   53    H    GLU  10           H        GLU  10 -13.302  -1.122  -7.605
   54    HA   GLU  10           HA       GLU  10 -13.271  -3.708  -8.713
   55   1HB   GLU  10          1HB       GLU  10 -12.677  -1.633  -9.972
   56   2HB   GLU  10          2HB       GLU  10 -11.250  -1.437  -8.975
   57   1HG   GLU  10          1HG       GLU  10 -10.274  -3.504  -9.810
   58   2HG   GLU  10          2HG       GLU  10 -11.768  -3.963 -10.601
   59    H    ASN  11           H        ASN  11 -11.774  -2.215  -5.938
   60    HA   ASN  11           HA       ASN  11  -9.366  -3.512  -5.874
   61   1HB   ASN  11          1HB       ASN  11 -10.236  -1.660  -4.314
   62   2HB   ASN  11          2HB       ASN  11 -11.129  -2.895  -3.448
   63   1HD2  ASN  11          1HD2      ASN  11  -8.659  -1.068  -3.017
   64   2HD2  ASN  11          2HD2      ASN  11  -7.492  -2.102  -2.261
   65    HA   PRO  12           HA       PRO  12 -11.044  -7.532  -5.463
   66   1HB   PRO  12          1HB       PRO  12  -8.729  -8.975  -5.632
   67   2HB   PRO  12          2HB       PRO  12  -9.579  -8.359  -7.036
   68   1HG   PRO  12          1HG       PRO  12  -7.088  -7.364  -5.792
   69   2HG   PRO  12          2HG       PRO  12  -7.714  -7.050  -7.399
   70   1HD   PRO  12          1HD       PRO  12  -7.787  -5.270  -5.150
   71   2HD   PRO  12          2HD       PRO  12  -8.515  -5.004  -6.722
   72    H    CYS  13           H        CYS  13  -9.024  -6.074  -3.209
   73    HA   CYS  13           HA       CYS  13  -8.921  -8.215  -1.383
   74   1HB   CYS  13          1HB       CYS  13  -8.748  -5.245  -0.843
   75   2HB   CYS  13          2HB       CYS  13  -8.269  -6.526   0.253
   76    H    CYS  14           H        CYS  14 -11.341  -5.854  -2.389
   77    HA   CYS  14           HA       CYS  14 -12.922  -6.465  -0.001
   78   1HB   CYS  14          1HB       CYS  14 -12.836  -4.039  -1.786
   79   2HB   CYS  14          2HB       CYS  14 -14.207  -4.365  -0.744
   80    H    ASP  15           H        ASP  15 -15.145  -7.173  -0.338
   81    HA   ASP  15           HA       ASP  15 -15.966  -8.062  -2.832
   82   1HB   ASP  15          1HB       ASP  15 -17.053  -8.719  -0.706
   83   2HB   ASP  15          2HB       ASP  15 -17.572  -7.068  -0.431
   84    H    ALA  16           H        ALA  16 -17.348  -6.999  -4.437
   85    HA   ALA  16           HA       ALA  16 -16.473  -4.351  -4.815
   86   1HB   ALA  16          1HB       ALA  16 -16.804  -5.959  -6.645
   87   2HB   ALA  16          2HB       ALA  16 -18.548  -6.025  -6.289
   88   3HB   ALA  16          3HB       ALA  16 -17.819  -4.517  -6.893
   89    H    ALA  17           H        ALA  17 -19.419  -5.829  -3.478
   90    HA   ALA  17           HA       ALA  17 -20.961  -3.430  -3.937
   91   1HB   ALA  17          1HB       ALA  17 -21.897  -5.719  -4.257
   92   2HB   ALA  17          2HB       ALA  17 -21.666  -6.032  -2.520
   93   3HB   ALA  17          3HB       ALA  17 -22.805  -4.773  -3.053
   94    H    THR  18           H        THR  18 -19.691  -5.361  -1.137
   95    HA   THR  18           HA       THR  18 -20.772  -3.330   0.658
   96    HB   THR  18           HB       THR  18 -20.012  -5.178   2.348
   97    HG1  THR  18           HG1      THR  18 -19.545  -7.182   1.222
   98   1HG2  THR  18          1HG2      THR  18 -22.408  -4.969   1.533
   99   2HG2  THR  18          2HG2      THR  18 -21.984  -6.018   0.159
  100   3HG2  THR  18          3HG2      THR  18 -21.913  -6.655   1.819
  101    H    CYS  19           H        CYS  19 -17.888  -3.908  -1.040
  102    HA   CYS  19           HA       CYS  19 -16.019  -2.758  -1.014
  103   1HB   CYS  19          1HB       CYS  19 -16.066  -0.464  -0.267
  104   2HB   CYS  19          2HB       CYS  19 -17.549  -0.868  -1.110
  105    H    LYS  20           H        LYS  20 -16.416  -4.849   1.015
  106    HA   LYS  20           HA       LYS  20 -14.598  -3.817   3.068
  107   1HB   LYS  20          1HB       LYS  20 -17.269  -4.343   3.553
  108   2HB   LYS  20          2HB       LYS  20 -16.497  -5.843   4.027
  109   1HG   LYS  20          1HG       LYS  20 -16.202  -4.705   6.012
  110   2HG   LYS  20          2HG       LYS  20 -14.756  -4.139   5.201
  111   1HD   LYS  20          1HD       LYS  20 -16.487  -2.271   4.266
  112   2HD   LYS  20          2HD       LYS  20 -17.327  -2.675   5.750
  113   1HE   LYS  20          1HE       LYS  20 -14.383  -1.865   5.598
  114   2HE   LYS  20          2HE       LYS  20 -15.689  -0.776   6.022
  115   1HZ   LYS  20          1HZ       LYS  20 -14.827  -3.170   7.547
  116   2HZ   LYS  20          2HZ       LYS  20 -14.782  -1.620   8.046
  117    H    LEU  21           H        LEU  21 -13.303  -5.573   4.117
  118    HA   LEU  21           HA       LEU  21 -12.041  -6.890   2.011
  119   1HB   LEU  21          1HB       LEU  21 -11.750  -7.298   4.991
  120   2HB   LEU  21          2HB       LEU  21 -10.627  -7.857   3.767
  121    HG   LEU  21           HG       LEU  21 -11.299  -4.929   4.072
  122   1HD1  LEU  21          1HD1      LEU  21  -9.298  -4.685   5.477
  123   2HD1  LEU  21          2HD1      LEU  21 -10.544  -5.690   6.256
  124   3HD1  LEU  21          3HD1      LEU  21  -9.116  -6.455   5.519
  125   1HD2  LEU  21          1HD2      LEU  21 -10.219  -5.604   1.983
  126   2HD2  LEU  21          2HD2      LEU  21  -9.139  -4.598   2.979
  127   3HD2  LEU  21          3HD2      LEU  21  -8.896  -6.360   2.902
  128    H    ARG  22           H        ARG  22 -12.267  -8.894   1.107
  129    HA   ARG  22           HA       ARG  22 -14.267 -10.612   2.189
  130   1HB   ARG  22          1HB       ARG  22 -12.360 -11.533   0.040
  131   2HB   ARG  22          2HB       ARG  22 -14.085 -11.808   0.173
  132   1HG   ARG  22          1HG       ARG  22 -14.317  -9.220  -0.197
  133   2HG   ARG  22          2HG       ARG  22 -12.654  -9.288  -0.745
  134   1HD   ARG  22          1HD       ARG  22 -14.986 -10.885  -1.911
  135   2HD   ARG  22          2HD       ARG  22 -14.211  -9.504  -2.662
  136    HE   ARG  22           HE       ARG  22 -12.105 -11.259  -2.204
  137   1HH1  ARG  22          2HH2      ARG  22 -15.097 -11.297  -4.091
  138   2HH1  ARG  22          1HH2      ARG  22 -14.601 -12.621  -5.091
  139   1HH2  ARG  22          1HH1      ARG  22 -12.417 -13.565  -4.786
  140    HA   PRO  23           HA       PRO  23 -10.561 -13.450   2.409
  141   1HB   PRO  23          1HB       PRO  23  -7.995 -12.588   2.035
  142   2HB   PRO  23          2HB       PRO  23  -9.013 -13.161   0.729
  143   1HG   PRO  23          1HG       PRO  23  -8.243 -10.386   1.399
  144   2HG   PRO  23          2HG       PRO  23  -8.887 -11.014  -0.106
  145   1HD   PRO  23          1HD       PRO  23 -10.316  -9.517   1.879
  146   2HD   PRO  23          2HD       PRO  23 -10.985 -10.243   0.432
  147    H    GLY  24           H        GLY  24  -8.460 -14.099   3.808
  148   1HA   GLY  24          1HA       GLY  24  -8.679 -12.890   6.382
  149   2HA   GLY  24          2HA       GLY  24  -7.438 -13.992   5.819
  150    H    ALA  25           H        ALA  25  -8.558 -10.564   5.302
  151    HA   ALA  25           HA       ALA  25  -5.762  -9.916   4.672
  152   1HB   ALA  25          1HB       ALA  25  -6.893  -9.441   2.715
  153   2HB   ALA  25          2HB       ALA  25  -8.418  -9.077   3.556
  154   3HB   ALA  25          3HB       ALA  25  -7.094  -7.887   3.560
  155    H    GLN  26           H        GLN  26  -5.098  -7.643   5.275
  156    HA   GLN  26           HA       GLN  26  -6.358  -6.941   7.797
  157   1HB   GLN  26          1HB       GLN  26  -3.644  -6.211   6.616
  158   2HB   GLN  26          2HB       GLN  26  -4.250  -5.556   8.125
  159   1HG   GLN  26          1HG       GLN  26  -4.395  -7.815   9.104
  160   2HG   GLN  26          2HG       GLN  26  -3.955  -8.546   7.574
  161   1HE2  GLN  26          1HE2      GLN  26  -2.879  -7.110  10.465
  162   2HE2  GLN  26          2HE2      GLN  26  -1.171  -7.127  10.176
  163    H    CYS  27           H        CYS  27  -5.276  -5.594   4.622
  164    HA   CYS  27           HA       CYS  27  -7.022  -3.313   5.114
  165   1HB   CYS  27          1HB       CYS  27  -5.241  -1.816   4.162
  166   2HB   CYS  27          2HB       CYS  27  -4.980  -2.394   5.795
  167    H    GLY  28           H        GLY  28  -7.379  -2.087   2.963
  168   1HA   GLY  28          1HA       GLY  28  -7.287  -3.998   0.715
  169   2HA   GLY  28          2HA       GLY  28  -8.449  -2.702   0.921
  170    H    GLU  29           H        GLU  29  -6.301  -0.782   1.910
  171    HA   GLU  29           HA       GLU  29  -4.922  -0.357  -0.595
  172   1HB   GLU  29          1HB       GLU  29  -6.967   1.558   0.598
  173   2HB   GLU  29          2HB       GLU  29  -5.784   2.058  -0.596
  174   1HG   GLU  29          1HG       GLU  29  -6.663   0.094  -2.056
  175   2HG   GLU  29          2HG       GLU  29  -8.001  -0.004  -0.928
  176    H    GLY  30           H        GLY  30  -3.365   1.582  -0.406
  177   1HA   GLY  30          1HA       GLY  30  -2.348   3.036   1.363
  178   2HA   GLY  30          2HA       GLY  30  -2.286   1.587   2.347
  179    H    LEU  31           H        LEU  31  -0.030   3.270   1.399
  180    HA   LEU  31           HA       LEU  31   1.195   2.090  -0.831
  181   1HB   LEU  31          1HB       LEU  31   2.340   3.689   1.463
  182   2HB   LEU  31          2HB       LEU  31   3.216   3.267   0.004
  183    HG   LEU  31           HG       LEU  31   0.701   4.958   0.095
  184   1HD1  LEU  31          1HD1      LEU  31   3.582   5.810  -0.307
  185   2HD1  LEU  31          2HD1      LEU  31   2.147   6.861  -0.370
  186   3HD1  LEU  31          3HD1      LEU  31   2.608   6.077   1.160
  187   1HD2  LEU  31          1HD2      LEU  31   0.738   3.913  -2.012
  188   2HD2  LEU  31          2HD2      LEU  31   1.441   5.527  -2.275
  189   3HD2  LEU  31          3HD2      LEU  31   2.501   4.100  -2.172
  190    H    CYS  32           H        CYS  32   1.103   1.288   2.640
  191    HA   CYS  32           HA       CYS  32   3.333  -0.532   2.282
  192   1HB   CYS  32          1HB       CYS  32   1.875   0.511   4.706
  193   2HB   CYS  32          2HB       CYS  32   3.000  -0.830   4.803
  194    H    CYS  33           H        CYS  33   0.149  -0.589   1.543
  195    HA   CYS  33           HA       CYS  33  -0.549  -3.013   2.959
  196   1HB   CYS  33          1HB       CYS  33  -2.143  -1.101   2.726
  197   2HB   CYS  33          2HB       CYS  33  -2.196  -1.402   1.000
  198    H    GLU  34           H        GLU  34   0.699  -4.678   2.019
  199    HA   GLU  34           HA       GLU  34   0.381  -4.942  -0.868
  200   1HB   GLU  34          1HB       GLU  34   2.582  -6.063   0.923
  201   2HB   GLU  34          2HB       GLU  34   2.475  -6.292  -0.811
  202   1HG   GLU  34          1HG       GLU  34   2.551  -3.772  -1.098
  203   2HG   GLU  34          2HG       GLU  34   2.791  -3.617   0.631
  204    H    GLN  35           H        GLN  35  -0.494  -6.850  -1.705
  205    HA   GLN  35           HA       GLN  35  -1.788  -8.595  -1.702
  206   1HB   GLN  35          1HB       GLN  35  -0.092  -9.545   0.649
  207   2HB   GLN  35          2HB       GLN  35  -1.102 -10.567  -0.353
  208   1HG   GLN  35          1HG       GLN  35   0.256  -9.847  -2.370
  209   2HG   GLN  35          2HG       GLN  35   1.310  -8.946  -1.298
  210   1HE2  GLN  35          1HE2      GLN  35   2.344 -10.130   0.472
  211   2HE2  GLN  35          2HE2      GLN  35   2.859 -11.764   0.218
  212    H    CYS  36           H        CYS  36  -2.693  -6.291  -0.173
  213    HA   CYS  36           HA       CYS  36  -4.476  -5.761   0.992
  214   1HB   CYS  36          1HB       CYS  36  -5.172  -8.678   1.304
  215   2HB   CYS  36          2HB       CYS  36  -6.248  -7.297   1.376
  216    H    LYS  37           H        LYS  37  -1.756  -6.678   2.143
  217    HA   LYS  37           HA       LYS  37  -2.656  -6.857   4.915
  218   1HB   LYS  37          1HB       LYS  37  -0.768  -8.775   3.537
  219   2HB   LYS  37          2HB       LYS  37  -0.760  -8.542   5.273
  220   1HG   LYS  37          1HG       LYS  37  -3.209  -9.112   5.343
  221   2HG   LYS  37          2HG       LYS  37  -3.184  -9.384   3.612
  222   1HD   LYS  37          1HD       LYS  37  -1.267 -10.868   5.448
  223   2HD   LYS  37          2HD       LYS  37  -2.904 -11.446   5.206
  224   1HE   LYS  37          1HE       LYS  37  -2.497 -11.484   2.718
  225   2HE   LYS  37          2HE       LYS  37  -0.845 -10.969   2.997
  226   1HZ   LYS  37          1HZ       LYS  37  -0.503 -13.003   4.315
  227   2HZ   LYS  37          2HZ       LYS  37  -2.036 -13.482   4.046
  228    H    PHE  38           H        PHE  38  -0.724  -6.404   6.436
  229    HA   PHE  38           HA       PHE  38   0.512  -4.014   5.478
  230   1HB   PHE  38          1HB       PHE  38   0.474  -5.713   8.024
  231   2HB   PHE  38          2HB       PHE  38   1.580  -4.359   7.905
  232    HD1  PHE  38           HD1      PHE  38  -2.001  -4.833   6.932
  233    HD2  PHE  38           HD2      PHE  38   0.827  -2.588   9.162
  234    HE1  PHE  38           HE1      PHE  38  -3.824  -3.279   7.679
  235    HE2  PHE  38           HE2      PHE  38  -0.996  -1.034   9.909
  236    HZ   PHE  38           HZ       PHE  38  -3.301  -1.398   9.159
  237    H    SER  39           H        SER  39   2.600  -3.699   4.784
  238    HA   SER  39           HA       SER  39   4.001  -5.899   3.893
  239   1HB   SER  39          1HB       SER  39   5.611  -4.349   3.103
  240   2HB   SER  39          2HB       SER  39   4.113  -3.441   3.112
  241    HG   SER  39           HG       SER  39   6.309  -3.297   4.971
  242    H    ARG  40           H        ARG  40   6.369  -6.442   4.519
  243    HA   ARG  40           HA       ARG  40   6.690  -6.677   7.292
  244   1HB   ARG  40          1HB       ARG  40   8.954  -7.511   6.723
  245   2HB   ARG  40          2HB       ARG  40   7.761  -8.220   5.652
  246   1HG   ARG  40          1HG       ARG  40   9.110  -7.512   3.955
  247   2HG   ARG  40          2HG       ARG  40   8.440  -5.923   4.259
  248   1HD   ARG  40          1HD       ARG  40  10.297  -5.391   5.811
  249   2HD   ARG  40          2HD       ARG  40  10.940  -7.011   5.640
  250    HE   ARG  40           HE       ARG  40  10.771  -6.028   3.020
  251   1HH1  ARG  40          2HH2      ARG  40  12.419  -5.039   5.997
  252   2HH1  ARG  40          1HH2      ARG  40  13.747  -4.304   5.163
  253   1HH2  ARG  40          1HH1      ARG  40  13.761  -4.278   2.767
  254    H    ALA  41           H        ALA  41   8.738  -5.749   8.447
  255    HA   ALA  41           HA       ALA  41   8.444  -2.901   8.179
  256   1HB   ALA  41          1HB       ALA  41  10.108  -4.526  10.143
  257   2HB   ALA  41          2HB       ALA  41   9.568  -2.840  10.324
  258   3HB   ALA  41          3HB       ALA  41   8.378  -4.163  10.358
  259    H    GLY  42           H        GLY  42   9.788  -1.585   7.054
  260   1HA   GLY  42          1HA       GLY  42  12.013  -0.786   6.777
  261   2HA   GLY  42          2HA       GLY  42  12.597  -2.438   6.764
  262    H    LYS  43           H        LYS  43   9.772  -2.698   5.066
  263    HA   LYS  43           HA       LYS  43  10.984  -2.722   2.529
  264   1HB   LYS  43          1HB       LYS  43   9.040  -4.105   3.177
  265   2HB   LYS  43          2HB       LYS  43   8.048  -2.666   3.291
  266   1HG   LYS  43          1HG       LYS  43   7.565  -3.338   1.107
  267   2HG   LYS  43          2HG       LYS  43   8.879  -2.217   0.811
  268   1HD   LYS  43          1HD       LYS  43   9.624  -4.050  -0.424
  269   2HD   LYS  43          2HD       LYS  43  10.410  -4.376   1.107
  270   1HE   LYS  43          1HE       LYS  43   8.467  -5.850   1.758
  271   2HE   LYS  43          2HE       LYS  43   7.749  -5.564   0.185
  272   1HZ   LYS  43          1HZ       LYS  43  10.391  -6.843   0.649
  273   2HZ   LYS  43          2HZ       LYS  43   9.038  -7.609   0.164
  274    H    ILE  44           H        ILE  44  11.548  -1.057   1.242
  275    HA   ILE  44           HA       ILE  44  10.947   1.594   1.900
  276    HB   ILE  44           HB       ILE  44  12.239   0.143  -0.340
  277   1HG1  ILE  44          1HG1      ILE  44  13.956   2.003   0.173
  278   2HG1  ILE  44          2HG1      ILE  44  12.972   2.354   1.579
  279   1HG2  ILE  44          1HG2      ILE  44  12.499   2.283  -1.610
  280   2HG2  ILE  44          2HG2      ILE  44  10.858   1.596  -1.640
  281   3HG2  ILE  44          3HG2      ILE  44  11.223   2.983  -0.586
  282   1HD1  ILE  44          1HD1      ILE  44  13.254   0.094   2.445
  283   2HD1  ILE  44          2HD1      ILE  44  14.049  -0.428   0.939
  284   3HD1  ILE  44          3HD1      ILE  44  14.862   0.728   2.020
  285    H    CYS  45           H        CYS  45   9.097   2.732   1.676
  286    HA   CYS  45           HA       CYS  45   7.046   1.724  -0.068
  287   1HB   CYS  45          1HB       CYS  45   6.997   4.339   1.429
  288   2HB   CYS  45          2HB       CYS  45   5.642   3.392   0.846
  289    H    ARG  46           H        ARG  46   9.538   4.335   0.067
  290    HA   ARG  46           HA       ARG  46   8.441   5.401  -2.388
  291   1HB   ARG  46          1HB       ARG  46   7.424   6.501  -0.243
  292   2HB   ARG  46          2HB       ARG  46   9.006   7.217  -0.003
  293   1HG   ARG  46          1HG       ARG  46   8.890   8.303  -2.227
  294   2HG   ARG  46          2HG       ARG  46   7.359   7.518  -2.559
  295   1HD   ARG  46          1HD       ARG  46   7.841   9.470  -0.256
  296   2HD   ARG  46          2HD       ARG  46   7.088   9.895  -1.779
  297    HE   ARG  46           HE       ARG  46   5.251   8.300  -1.225
  298   1HH1  ARG  46          2HH2      ARG  46   7.529   8.439   1.431
  299   2HH1  ARG  46          1HH2      ARG  46   6.326   8.649   2.659
  300   1HH2  ARG  46          1HH1      ARG  46   4.007   8.490   2.035
  301    H    ILE  47           H        ILE  47  10.026   6.409  -3.702
  302    HA   ILE  47           HA       ILE  47  12.732   5.885  -2.862
  303    HB   ILE  47           HB       ILE  47  11.699   7.012  -5.465
  304   1HG1  ILE  47          1HG1      ILE  47  10.571   4.944  -5.179
  305   2HG1  ILE  47          2HG1      ILE  47  11.901   4.649  -6.282
  306   1HG2  ILE  47          1HG2      ILE  47  14.083   7.381  -5.104
  307   2HG2  ILE  47          2HG2      ILE  47  14.313   5.650  -4.757
  308   3HG2  ILE  47          3HG2      ILE  47  13.810   6.173  -6.383
  309   1HD1  ILE  47          1HD1      ILE  47  11.758   3.939  -3.324
  310   2HD1  ILE  47          2HD1      ILE  47  11.920   2.831  -4.707
  311   3HD1  ILE  47          3HD1      ILE  47  13.278   3.889  -4.251
  312    HA   PRO  48           HA       PRO  48  13.482  10.033  -1.726
  313   1HB   PRO  48          1HB       PRO  48  16.173   9.826  -1.290
  314   2HB   PRO  48          2HB       PRO  48  14.970   9.413  -0.083
  315   1HG   PRO  48          1HG       PRO  48  16.631   7.612  -1.737
  316   2HG   PRO  48          2HG       PRO  48  15.757   7.252  -0.261
  317   1HD   PRO  48          1HD       PRO  48  14.977   6.551  -2.932
  318   2HD   PRO  48          2HD       PRO  48  14.050   6.295  -1.467
  319    H    ARG  49           H        ARG  49  14.876  11.960  -2.363
  320    HA   ARG  49           HA       ARG  49  16.324  11.314  -4.784
  321   1HB   ARG  49          1HB       ARG  49  15.664  13.547  -5.761
  322   2HB   ARG  49          2HB       ARG  49  14.307  12.452  -5.585
  323   1HG   ARG  49          1HG       ARG  49  13.661  13.563  -3.452
  324   2HG   ARG  49          2HG       ARG  49  15.044  14.632  -3.575
  325   1HD   ARG  49          1HD       ARG  49  14.142  15.517  -5.757
  326   2HD   ARG  49          2HD       ARG  49  12.739  14.483  -5.578
  327    HE   ARG  49           HE       ARG  49  11.886  15.933  -3.940
  328   1HH1  ARG  49          2HH2      ARG  49  15.303  16.689  -4.492
  329   2HH1  ARG  49          1HH2      ARG  49  15.255  18.159  -3.577
  330   1HH2  ARG  49          1HH1      ARG  49  13.203  18.822  -2.529
  331    H    GLY  50           H        GLY  50  18.046  13.071  -5.258
  332   1HA   GLY  50          1HA       GLY  50  19.721  14.428  -4.597
  333   2HA   GLY  50          2HA       GLY  50  18.762  14.912  -3.211
  334    H    ASP  51           H        ASP  51  19.310  14.150  -1.180
  335    HA   ASP  51           HA       ASP  51  20.716  11.613  -1.121
  336   1HB   ASP  51          1HB       ASP  51  22.240  13.716  -0.787
  337   2HB   ASP  51          2HB       ASP  51  21.433  13.896   0.758
  338    H    MET  52           H        MET  52  17.880  12.580  -0.678
  339    HA   MET  52           HA       MET  52  17.445  12.753   2.091
  340   1HB   MET  52          1HB       MET  52  15.706  12.191  -0.358
  341   2HB   MET  52          2HB       MET  52  15.010  12.154   1.250
  342   1HG   MET  52          1HG       MET  52  16.614  14.548   0.255
  343   2HG   MET  52          2HG       MET  52  14.893  14.406  -0.037
  344   1HE   MET  52          1HE       MET  52  13.148  15.160   1.540
  345   2HE   MET  52          2HE       MET  52  13.316  13.502   2.164
  346   3HE   MET  52          3HE       MET  52  13.214  14.873   3.295
  347    HA   PRO  53           HA       PRO  53  17.166   8.528   3.142
  348   1HB   PRO  53          1HB       PRO  53  15.352   8.551   5.186
  349   2HB   PRO  53          2HB       PRO  53  17.037   8.986   5.395
  350   1HG   PRO  53          1HG       PRO  53  14.667  10.750   5.285
  351   2HG   PRO  53          2HG       PRO  53  16.268  11.101   5.905
  352   1HD   PRO  53          1HD       PRO  53  15.173  11.959   3.397
  353   2HD   PRO  53          2HD       PRO  53  16.811  12.210   3.966
  354    H    ASP  54           H        ASP  54  16.210   6.598   2.603
  355    HA   ASP  54           HA       ASP  54  13.958   6.837   0.958
  356   1HB   ASP  54          1HB       ASP  54  13.960   4.254   1.232
  357   2HB   ASP  54          2HB       ASP  54  15.369   4.992   0.495
  358    H    ASP  55           H        ASP  55  11.743   6.484   1.470
  359    HA   ASP  55           HA       ASP  55  11.132   6.541   4.251
  360   1HB   ASP  55          1HB       ASP  55   9.954   7.656   2.079
  361   2HB   ASP  55          2HB       ASP  55   9.011   6.180   2.143
  362    H    ARG  56           H        ARG  56  10.154   4.797   5.442
  363    HA   ARG  56           HA       ARG  56  10.193   2.294   3.957
  364   1HB   ARG  56          1HB       ARG  56  11.454   2.929   6.668
  365   2HB   ARG  56          2HB       ARG  56  11.232   1.290   6.089
  366   1HG   ARG  56          1HG       ARG  56  12.695   1.660   4.189
  367   2HG   ARG  56          2HG       ARG  56  12.718   3.392   4.457
  368   1HD   ARG  56          1HD       ARG  56  13.982   3.132   6.535
  369   2HD   ARG  56          2HD       ARG  56  13.782   1.391   6.504
  370    HE   ARG  56           HE       ARG  56  15.021   2.056   4.062
  371   1HH1  ARG  56          2HH2      ARG  56  15.794   2.218   7.516
  372   2HH1  ARG  56          1HH2      ARG  56  17.507   2.221   7.259
  373   1HH2  ARG  56          1HH1      ARG  56  18.358   2.075   5.024
  374    H    CYS  57           H        CYS  57   8.707   0.656   4.710
  375    HA   CYS  57           HA       CYS  57   6.500   1.624   6.208
  376   1HB   CYS  57          1HB       CYS  57   7.195  -1.145   5.210
  377   2HB   CYS  57          2HB       CYS  57   5.690  -0.733   6.009
  378    H    THR  58           H        THR  58   5.931   1.083   8.384
  379    HA   THR  58           HA       THR  58   8.083   0.020  10.017
  380    HB   THR  58           HB       THR  58   6.292   0.590  11.825
  381    HG1  THR  58           HG1      THR  58   4.554   1.884  10.881
  382   1HG2  THR  58          1HG2      THR  58   6.521   3.080  11.492
  383   2HG2  THR  58          2HG2      THR  58   8.081   2.237  11.338
  384   3HG2  THR  58          3HG2      THR  58   7.211   2.772   9.881
  385    H    GLY  59           H        GLY  59   5.258  -1.134   8.333
  386   1HA   GLY  59          1HA       GLY  59   4.276  -3.185   8.352
  387   2HA   GLY  59          2HA       GLY  59   5.391  -3.722   9.593
  388    H    GLN  60           H        GLN  60   4.080  -0.703  10.503
  389    HA   GLN  60           HA       GLN  60   2.096  -2.097  12.123
  390   1HB   GLN  60          1HB       GLN  60   3.806   0.345  12.751
  391   2HB   GLN  60          2HB       GLN  60   2.450  -0.147  13.746
  392   1HG   GLN  60          1HG       GLN  60   3.500  -2.347  14.161
  393   2HG   GLN  60          2HG       GLN  60   4.813  -1.960  13.069
  394   1HE2  GLN  60          1HE2      GLN  60   3.273  -1.214  16.123
  395   2HE2  GLN  60          2HE2      GLN  60   4.609  -0.418  16.884
  396    H    SER  61           H        SER  61   2.208  -0.456   9.355
  397    HA   SER  61           HA       SER  61  -0.209   0.992   9.834
  398   1HB   SER  61          1HB       SER  61   0.746   3.158   8.962
  399   2HB   SER  61          2HB       SER  61   1.345   2.704  10.544
  400    HG   SER  61           HG       SER  61   2.697   2.468   8.002
  401    H    ALA  62           H        ALA  62  -1.442   1.057   7.941
  402    HA   ALA  62           HA       ALA  62  -0.424  -0.492   5.768
  403   1HB   ALA  62          1HB       ALA  62  -2.730  -0.732   6.531
  404   2HB   ALA  62          2HB       ALA  62  -3.045   0.991   6.218
  405   3HB   ALA  62          3HB       ALA  62  -2.722  -0.116   4.862
  406    H    ASP  63           H        ASP  63  -0.835   2.959   6.544
  407    HA   ASP  63           HA       ASP  63   0.209   3.588   3.926
  408   1HB   ASP  63          1HB       ASP  63  -1.520   5.048   5.058
  409   2HB   ASP  63          2HB       ASP  63  -0.357   5.399   6.321
  410    H    CYS  64           H        CYS  64   2.262   5.019   3.883
  411    HA   CYS  64           HA       CYS  64   4.184   3.916   5.728
  412   1HB   CYS  64          1HB       CYS  64   4.340   4.379   3.096
  413   2HB   CYS  64          2HB       CYS  64   4.962   5.915   3.664
  414    HA   PRO  65           HA       PRO  65   4.096   7.606   8.125
  415   1HB   PRO  65          1HB       PRO  65   6.175   7.037   9.804
  416   2HB   PRO  65          2HB       PRO  65   4.540   6.464  10.074
  417   1HG   PRO  65          1HG       PRO  65   6.894   4.962   9.101
  418   2HG   PRO  65          2HG       PRO  65   5.398   4.343   9.773
  419   1HD   PRO  65          1HD       PRO  65   6.147   4.389   7.005
  420   2HD   PRO  65          2HD       PRO  65   4.606   3.878   7.666
  421    H    ARG  66           H        ARG  66   7.477   6.627   7.692
  422    HA   ARG  66           HA       ARG  66   8.098   8.984   6.326
  423   1HB   ARG  66          1HB       ARG  66   7.554  10.008   8.544
  424   2HB   ARG  66          2HB       ARG  66   8.712   8.951   9.326
  425   1HG   ARG  66          1HG       ARG  66  10.570   9.963   8.069
  426   2HG   ARG  66          2HG       ARG  66   9.457  10.921   7.115
  427   1HD   ARG  66          1HD       ARG  66   9.666  11.141  10.156
  428   2HD   ARG  66          2HD       ARG  66  10.573  12.161   9.057
  429    HE   ARG  66           HE       ARG  66   7.867  12.314   8.237
  430   1HH1  ARG  66          2HH2      ARG  66   9.834  13.235  11.037
  431   2HH1  ARG  66          1HH2      ARG  66   8.761  14.502  11.531
  432   1HH2  ARG  66          1HH1      ARG  66   6.790  14.940  10.240
  433    H    TYR  67           H        TYR  67   9.302   6.716   8.907
  434    HA   TYR  67           HA       TYR  67  11.230   5.595   7.136
  435   1HB   TYR  67          1HB       TYR  67  12.151   7.905   7.947
  436   2HB   TYR  67          2HB       TYR  67  12.133   7.248   9.572
  437    HD1  TYR  67           HD1      TYR  67  13.786   5.613  10.290
  438    HD2  TYR  67           HD2      TYR  67  13.765   7.083   6.271
  439    HE1  TYR  67           HE1      TYR  67  16.110   4.653   9.919
  440    HE2  TYR  67           HE2      TYR  67  16.090   6.117   5.914
  441    HH   TYR  67           HH       TYR  67  17.629   4.787   6.730
  442    H    HIS  68           H        HIS  68  12.620   3.938   8.328
  443    HA   HIS  68           HA       HIS  68  11.742   3.316  10.991
  444   1HB   HIS  68          1HB       HIS  68  10.008   2.212   9.701
  445   2HB   HIS  68          2HB       HIS  68  11.201   1.430   8.683
  446    HD1  HIS  68           HD1      HIS  68  10.144   1.480  12.365
  447    HD2  HIS  68           HD2      HIS  68  11.990  -1.045   9.570
  448    HE1  HIS  68           HE1      HIS  68  10.460  -0.767  13.531
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1 -19.426   4.206  10.605
    2   2H    GLY   1          2H        GLY   1 -20.284   4.965  11.801
    3   3H    GLY   1          3H        GLY   1 -20.113   3.318  11.822
    4   1HA   GLY   1          1HA       GLY   1 -22.246   3.627  11.075
    5   2HA   GLY   1          2HA       GLY   1 -21.747   4.973  10.070
    6    H    LYS   2           H        LYS   2 -22.651   4.004   8.134
    7    HA   LYS   2           HA       LYS   2 -21.672   1.675   6.988
    8   1HB   LYS   2          1HB       LYS   2 -22.354   2.638   4.889
    9   2HB   LYS   2          2HB       LYS   2 -23.543   3.032   6.113
   10   1HG   LYS   2          1HG       LYS   2 -23.305   5.182   5.379
   11   2HG   LYS   2          2HG       LYS   2 -21.839   5.193   6.341
   12   1HD   LYS   2          1HD       LYS   2 -20.696   4.178   4.195
   13   2HD   LYS   2          2HD       LYS   2 -22.123   4.746   3.351
   14   1HE   LYS   2          1HE       LYS   2 -20.729   6.614   3.148
   15   2HE   LYS   2          2HE       LYS   2 -21.625   7.037   4.594
   16   1HZ   LYS   2          1HZ       LYS   2 -19.727   5.927   5.852
   17   2HZ   LYS   2          2HZ       LYS   2 -18.882   5.929   4.460
   18    H    GLU   3           H        GLU   3 -19.778   1.126   5.886
   19    HA   GLU   3           HA       GLU   3 -17.680   3.082   5.865
   20   1HB   GLU   3          1HB       GLU   3 -18.101   1.476   8.182
   21   2HB   GLU   3          2HB       GLU   3 -16.703   0.796   7.373
   22   1HG   GLU   3          1HG       GLU   3 -15.867   2.508   8.851
   23   2HG   GLU   3          2HG       GLU   3 -15.733   3.150   7.225
   24    H    CYS   4           H        CYS   4 -15.645   2.181   4.884
   25    HA   CYS   4           HA       CYS   4 -16.067  -0.376   3.555
   26   1HB   CYS   4          1HB       CYS   4 -15.274   2.174   2.137
   27   2HB   CYS   4          2HB       CYS   4 -15.173   0.571   1.439
   28    H    ASP   5           H        ASP   5 -14.136  -1.580   3.426
   29    HA   ASP   5           HA       ASP   5 -11.974  -0.605   4.955
   30   1HB   ASP   5          1HB       ASP   5 -12.301  -3.076   3.191
   31   2HB   ASP   5          2HB       ASP   5 -10.888  -2.787   4.185
   32    H    CYS   6           H        CYS   6 -12.947  -0.627   1.572
   33    HA   CYS   6           HA       CYS   6 -10.306   0.439   0.874
   34   1HB   CYS   6          1HB       CYS   6 -12.197  -1.004  -0.993
   35   2HB   CYS   6          2HB       CYS   6 -10.609  -0.375  -1.385
   36    H    SER   7           H        SER   7 -10.409   2.215  -0.776
   37    HA   SER   7           HA       SER   7 -12.787   3.777  -0.405
   38   1HB   SER   7          1HB       SER   7 -10.388   4.532  -2.108
   39   2HB   SER   7          2HB       SER   7 -11.531   5.603  -1.322
   40    HG   SER   7           HG       SER   7 -10.693   4.893   0.752
   41    H    SER   8           H        SER   8 -11.251   1.692  -2.803
   42    HA   SER   8           HA       SER   8 -13.025   2.775  -4.845
   43   1HB   SER   8          1HB       SER   8 -10.428   1.198  -5.128
   44   2HB   SER   8          2HB       SER   8 -11.425   1.711  -6.475
   45    HG   SER   8           HG       SER   8 -11.063   3.928  -5.864
   46    HA   PRO   9           HA       PRO   9 -14.886  -1.229  -5.021
   47   1HB   PRO   9          1HB       PRO   9 -16.187  -1.012  -7.414
   48   2HB   PRO   9          2HB       PRO   9 -16.849  -0.413  -5.905
   49   1HG   PRO   9          1HG       PRO   9 -15.651   1.111  -8.137
   50   2HG   PRO   9          2HG       PRO   9 -16.682   1.687  -6.843
   51   1HD   PRO   9          1HD       PRO   9 -13.841   2.024  -7.054
   52   2HD   PRO   9          2HD       PRO   9 -14.856   2.498  -5.706
   53    H    GLU  10           H        GLU  10 -12.705   0.015  -7.335
   54    HA   GLU  10           HA       GLU  10 -12.551  -2.460  -8.738
   55   1HB   GLU  10          1HB       GLU  10 -10.804   0.038  -8.865
   56   2HB   GLU  10          2HB       GLU  10 -10.684  -1.315  -9.971
   57   1HG   GLU  10          1HG       GLU  10 -13.187   0.389  -9.555
   58   2HG   GLU  10          2HG       GLU  10 -12.074   0.552 -10.898
   59    H    ASN  11           H        ASN  11 -11.328  -1.240  -5.783
   60    HA   ASN  11           HA       ASN  11  -8.789  -2.305  -5.748
   61   1HB   ASN  11          1HB       ASN  11  -9.911  -0.787  -4.001
   62   2HB   ASN  11          2HB       ASN  11 -10.745  -2.204  -3.395
   63   1HD2  ASN  11          1HD2      ASN  11  -8.288  -0.250  -2.775
   64   2HD2  ASN  11          2HD2      ASN  11  -7.150  -1.306  -2.005
   65    HA   PRO  12           HA       PRO  12 -10.130  -6.431  -6.126
   66   1HB   PRO  12          1HB       PRO  12  -7.702  -7.674  -6.289
   67   2HB   PRO  12          2HB       PRO  12  -8.462  -6.873  -7.650
   68   1HG   PRO  12          1HG       PRO  12  -6.189  -5.960  -5.995
   69   2HG   PRO  12          2HG       PRO  12  -6.683  -5.406  -7.583
   70   1HD   PRO  12          1HD       PRO  12  -7.111  -4.061  -5.085
   71   2HD   PRO  12          2HD       PRO  12  -7.706  -3.567  -6.658
   72    H    CYS  13           H        CYS  13  -8.435  -5.281  -3.457
   73    HA   CYS  13           HA       CYS  13  -8.377  -7.745  -2.054
   74   1HB   CYS  13          1HB       CYS  13  -8.244  -4.921  -0.976
   75   2HB   CYS  13          2HB       CYS  13  -7.824  -6.384  -0.107
   76    H    CYS  14           H        CYS  14 -10.760  -5.282  -2.825
   77    HA   CYS  14           HA       CYS  14 -12.450  -6.199  -0.617
   78   1HB   CYS  14          1HB       CYS  14 -12.222  -3.575  -2.055
   79   2HB   CYS  14          2HB       CYS  14 -13.736  -4.022  -1.292
   80    H    ASP  15           H        ASP  15 -14.603  -6.952  -1.141
   81    HA   ASP  15           HA       ASP  15 -15.293  -7.555  -3.757
   82   1HB   ASP  15          1HB       ASP  15 -16.429  -8.526  -1.792
   83   2HB   ASP  15          2HB       ASP  15 -17.014  -6.947  -1.309
   84    H    ALA  16           H        ALA  16 -16.647  -6.358  -5.280
   85    HA   ALA  16           HA       ALA  16 -15.930  -3.631  -5.263
   86   1HB   ALA  16          1HB       ALA  16 -17.800  -5.223  -7.066
   87   2HB   ALA  16          2HB       ALA  16 -17.148  -3.606  -7.423
   88   3HB   ALA  16          3HB       ALA  16 -16.050  -5.000  -7.301
   89    H    ALA  17           H        ALA  17 -18.843  -5.460  -4.330
   90    HA   ALA  17           HA       ALA  17 -20.526  -3.136  -4.632
   91   1HB   ALA  17          1HB       ALA  17 -22.319  -4.697  -4.067
   92   2HB   ALA  17          2HB       ALA  17 -21.246  -5.436  -5.280
   93   3HB   ALA  17          3HB       ALA  17 -21.130  -5.927  -3.574
   94    H    THR  18           H        THR  18 -19.024  -5.117  -2.029
   95    HA   THR  18           HA       THR  18 -20.451  -3.469  -0.056
   96    HB   THR  18           HB       THR  18 -19.688  -5.515   1.418
   97    HG1  THR  18           HG1      THR  18 -19.741  -6.824  -1.148
   98   1HG2  THR  18          1HG2      THR  18 -21.654  -5.845  -0.907
   99   2HG2  THR  18          2HG2      THR  18 -21.496  -7.011   0.429
  100   3HG2  THR  18          3HG2      THR  18 -22.051  -5.352   0.757
  101    H    CYS  19           H        CYS  19 -17.455  -3.707  -1.623
  102    HA   CYS  19           HA       CYS  19 -15.644  -2.502  -1.318
  103   1HB   CYS  19          1HB       CYS  19 -15.848  -0.337  -0.247
  104   2HB   CYS  19          2HB       CYS  19 -17.230  -0.671  -1.273
  105    H    LYS  20           H        LYS  20 -16.048  -4.865   0.375
  106    HA   LYS  20           HA       LYS  20 -14.413  -4.055   2.666
  107   1HB   LYS  20          1HB       LYS  20 -17.096  -4.748   2.885
  108   2HB   LYS  20          2HB       LYS  20 -16.264  -6.244   3.261
  109   1HG   LYS  20          1HG       LYS  20 -15.166  -5.335   5.130
  110   2HG   LYS  20          2HG       LYS  20 -15.225  -3.698   4.508
  111   1HD   LYS  20          1HD       LYS  20 -17.883  -4.970   5.036
  112   2HD   LYS  20          2HD       LYS  20 -16.904  -4.653   6.456
  113   1HE   LYS  20          1HE       LYS  20 -18.057  -2.622   6.233
  114   2HE   LYS  20          2HE       LYS  20 -16.565  -2.258   5.390
  115   1HZ   LYS  20          1HZ       LYS  20 -18.581  -1.647   4.108
  116   2HZ   LYS  20          2HZ       LYS  20 -17.659  -2.713   3.292
  117    H    LEU  21           H        LEU  21 -13.099  -5.878   3.549
  118    HA   LEU  21           HA       LEU  21 -11.703  -6.862   1.332
  119   1HB   LEU  21          1HB       LEU  21 -11.430  -7.563   4.258
  120   2HB   LEU  21          2HB       LEU  21 -10.254  -7.909   3.007
  121    HG   LEU  21           HG       LEU  21 -11.124  -5.075   3.546
  122   1HD1  LEU  21          1HD1      LEU  21  -8.968  -6.593   5.042
  123   2HD1  LEU  21          2HD1      LEU  21  -9.240  -4.834   5.112
  124   3HD1  LEU  21          3HD1      LEU  21 -10.485  -5.953   5.718
  125   1HD2  LEU  21          1HD2      LEU  21  -8.537  -6.245   2.483
  126   2HD2  LEU  21          2HD2      LEU  21  -9.846  -5.547   1.499
  127   3HD2  LEU  21          3HD2      LEU  21  -8.941  -4.518   2.633
  128    H    ARG  22           H        ARG  22 -11.790  -8.766   0.223
  129    HA   ARG  22           HA       ARG  22 -13.764 -10.655   1.007
  130   1HB   ARG  22          1HB       ARG  22 -11.697 -11.239  -1.123
  131   2HB   ARG  22          2HB       ARG  22 -13.400 -11.647  -1.106
  132   1HG   ARG  22          1HG       ARG  22 -13.821  -9.064  -1.212
  133   2HG   ARG  22          2HG       ARG  22 -12.131  -8.940  -1.663
  134   1HD   ARG  22          1HD       ARG  22 -14.234 -10.606  -3.132
  135   2HD   ARG  22          2HD       ARG  22 -13.611  -9.059  -3.670
  136    HE   ARG  22           HE       ARG  22 -11.314 -10.569  -3.339
  137   1HH1  ARG  22          2HH2      ARG  22 -14.233 -10.806  -5.324
  138   2HH1  ARG  22          1HH2      ARG  22 -13.548 -11.956  -6.422
  139   1HH2  ARG  22          1HH1      ARG  22 -11.267 -12.638  -6.133
  140    HA   PRO  23           HA       PRO  23  -9.940 -13.364   1.187
  141   1HB   PRO  23          1HB       PRO  23  -7.405 -12.344   1.112
  142   2HB   PRO  23          2HB       PRO  23  -8.288 -12.825  -0.324
  143   1HG   PRO  23          1HG       PRO  23  -7.730 -10.102   0.684
  144   2HG   PRO  23          2HG       PRO  23  -8.220 -10.600  -0.924
  145   1HD   PRO  23          1HD       PRO  23  -9.879  -9.390   1.079
  146   2HD   PRO  23          2HD       PRO  23 -10.393  -9.992  -0.484
  147    H    GLY  24           H        GLY  24  -7.958 -14.088   2.677
  148   1HA   GLY  24          1HA       GLY  24  -8.504 -13.232   5.343
  149   2HA   GLY  24          2HA       GLY  24  -7.174 -14.231   4.791
  150    H    ALA  25           H        ALA  25  -8.327 -10.773   4.632
  151    HA   ALA  25           HA       ALA  25  -5.503 -10.042   4.259
  152   1HB   ALA  25          1HB       ALA  25  -6.789  -7.983   3.133
  153   2HB   ALA  25          2HB       ALA  25  -6.442  -9.477   2.230
  154   3HB   ALA  25          3HB       ALA  25  -8.058  -9.214   2.927
  155    H    GLN  26           H        GLN  26  -4.985  -7.763   5.012
  156    HA   GLN  26           HA       GLN  26  -6.459  -7.274   7.470
  157   1HB   GLN  26          1HB       GLN  26  -3.655  -6.459   6.596
  158   2HB   GLN  26          2HB       GLN  26  -4.400  -5.898   8.079
  159   1HG   GLN  26          1HG       GLN  26  -4.603  -8.193   8.923
  160   2HG   GLN  26          2HG       GLN  26  -4.072  -8.854   7.390
  161   1HE2  GLN  26          1HE2      GLN  26  -3.170  -7.577  10.412
  162   2HE2  GLN  26          2HE2      GLN  26  -1.447  -7.606  10.234
  163    H    CYS  27           H        CYS  27  -5.143  -5.708   4.496
  164    HA   CYS  27           HA       CYS  27  -6.928  -3.464   4.999
  165   1HB   CYS  27          1HB       CYS  27  -5.075  -1.893   4.359
  166   2HB   CYS  27          2HB       CYS  27  -4.972  -2.604   5.958
  167    H    GLY  28           H        GLY  28  -7.113  -2.091   2.930
  168   1HA   GLY  28          1HA       GLY  28  -6.570  -3.741   0.536
  169   2HA   GLY  28          2HA       GLY  28  -7.907  -2.623   0.710
  170    H    GLU  29           H        GLU  29  -5.620  -0.933   2.314
  171    HA   GLU  29           HA       GLU  29  -4.540   0.294  -0.054
  172   1HB   GLU  29          1HB       GLU  29  -6.688   1.591   1.668
  173   2HB   GLU  29          2HB       GLU  29  -5.614   2.532   0.653
  174   1HG   GLU  29          1HG       GLU  29  -6.349   1.096  -1.326
  175   2HG   GLU  29          2HG       GLU  29  -7.533   0.345  -0.275
  176    H    GLY  30           H        GLY  30  -2.994   2.069   0.483
  177   1HA   GLY  30          1HA       GLY  30  -2.006   3.307   2.384
  178   2HA   GLY  30          2HA       GLY  30  -1.990   1.786   3.253
  179    H    LEU  31           H        LEU  31   0.324   3.492   2.580
  180    HA   LEU  31           HA       LEU  31   1.569   2.529   0.238
  181   1HB   LEU  31          1HB       LEU  31   2.378   4.211   2.576
  182   2HB   LEU  31          2HB       LEU  31   3.608   3.614   1.479
  183    HG   LEU  31           HG       LEU  31   2.753   5.938   1.021
  184   1HD1  LEU  31          1HD1      LEU  31   2.736   5.670  -1.401
  185   2HD1  LEU  31          2HD1      LEU  31   3.969   4.625  -0.656
  186   3HD1  LEU  31          3HD1      LEU  31   2.433   3.926  -1.223
  187   1HD2  LEU  31          1HD2      LEU  31   0.275   4.501   0.034
  188   2HD2  LEU  31          2HD2      LEU  31   0.373   5.476   1.520
  189   3HD2  LEU  31          3HD2      LEU  31   0.618   6.245  -0.066
  190    H    CYS  32           H        CYS  32   1.348   1.401   3.575
  191    HA   CYS  32           HA       CYS  32   3.622  -0.367   3.127
  192   1HB   CYS  32          1HB       CYS  32   3.576   1.073   5.159
  193   2HB   CYS  32          2HB       CYS  32   2.140   0.224   5.697
  194    H    CYS  33           H        CYS  33   0.500  -0.356   2.294
  195    HA   CYS  33           HA       CYS  33  -0.207  -2.928   3.437
  196   1HB   CYS  33          1HB       CYS  33  -1.854  -1.060   3.359
  197   2HB   CYS  33          2HB       CYS  33  -1.811  -1.129   1.609
  198    H    GLU  34           H        GLU  34   0.747  -4.648   2.381
  199    HA   GLU  34           HA       GLU  34   0.645  -4.551  -0.528
  200   1HB   GLU  34          1HB       GLU  34   2.962  -5.516   1.203
  201   2HB   GLU  34          2HB       GLU  34   2.845  -5.826  -0.518
  202   1HG   GLU  34          1HG       GLU  34   2.889  -3.437  -1.029
  203   2HG   GLU  34          2HG       GLU  34   2.734  -3.015   0.665
  204    H    GLN  35           H        GLN  35   0.094  -6.529  -1.561
  205    HA   GLN  35           HA       GLN  35  -1.144  -8.307  -1.713
  206   1HB   GLN  35          1HB       GLN  35   1.065  -9.251  -0.710
  207   2HB   GLN  35          2HB       GLN  35   0.172  -9.423   0.788
  208   1HG   GLN  35          1HG       GLN  35  -1.579 -10.530  -1.088
  209   2HG   GLN  35          2HG       GLN  35  -0.011 -11.012  -1.705
  210   1HE2  GLN  35          1HE2      GLN  35  -1.964 -10.868   1.251
  211   2HE2  GLN  35          2HE2      GLN  35  -1.354 -12.306   1.997
  212    H    CYS  36           H        CYS  36  -2.185  -6.056  -0.138
  213    HA   CYS  36           HA       CYS  36  -4.037  -5.582   0.938
  214   1HB   CYS  36          1HB       CYS  36  -4.776  -8.509   0.928
  215   2HB   CYS  36          2HB       CYS  36  -5.849  -7.130   1.074
  216    H    LYS  37           H        LYS  37  -1.455  -6.478   2.262
  217    HA   LYS  37           HA       LYS  37  -2.570  -6.975   4.909
  218   1HB   LYS  37          1HB       LYS  37  -0.594  -8.753   3.480
  219   2HB   LYS  37          2HB       LYS  37  -0.625  -8.653   5.229
  220   1HG   LYS  37          1HG       LYS  37  -3.115  -9.188   5.147
  221   2HG   LYS  37          2HG       LYS  37  -2.955  -9.447   3.422
  222   1HD   LYS  37          1HD       LYS  37  -2.675 -11.629   4.227
  223   2HD   LYS  37          2HD       LYS  37  -1.008 -11.103   4.099
  224   1HE   LYS  37          1HE       LYS  37  -1.008 -10.484   6.521
  225   2HE   LYS  37          2HE       LYS  37  -2.683 -10.983   6.654
  226   1HZ   LYS  37          1HZ       LYS  37  -0.414 -12.764   5.940
  227   2HZ   LYS  37          2HZ       LYS  37  -1.228 -12.776   7.351
  228    H    PHE  38           H        PHE  38  -0.761  -6.668   6.618
  229    HA   PHE  38           HA       PHE  38   0.551  -4.205   5.981
  230   1HB   PHE  38          1HB       PHE  38   0.271  -6.108   8.359
  231   2HB   PHE  38          2HB       PHE  38   1.401  -4.772   8.456
  232    HD1  PHE  38           HD1      PHE  38  -2.083  -5.084   7.128
  233    HD2  PHE  38           HD2      PHE  38   0.560  -3.103   9.794
  234    HE1  PHE  38           HE1      PHE  38  -3.945  -3.560   7.842
  235    HE2  PHE  38           HE2      PHE  38  -1.303  -1.579  10.507
  236    HZ   PHE  38           HZ       PHE  38  -3.533  -1.826   9.523
  237    H    SER  39           H        SER  39   2.515  -4.067   5.010
  238    HA   SER  39           HA       SER  39   4.162  -6.313   4.748
  239   1HB   SER  39          1HB       SER  39   4.456  -4.778   3.021
  240   2HB   SER  39          2HB       SER  39   4.342  -3.389   4.083
  241    HG   SER  39           HG       SER  39   6.472  -3.741   4.811
  242    H    ARG  40           H        ARG  40   6.652  -6.088   5.400
  243    HA   ARG  40           HA       ARG  40   6.474  -5.976   8.254
  244   1HB   ARG  40          1HB       ARG  40   8.558  -7.034   6.295
  245   2HB   ARG  40          2HB       ARG  40   8.879  -6.972   8.017
  246   1HG   ARG  40          1HG       ARG  40   7.895  -9.028   8.100
  247   2HG   ARG  40          2HG       ARG  40   6.377  -8.161   7.977
  248   1HD   ARG  40          1HD       ARG  40   6.607  -8.308   5.425
  249   2HD   ARG  40          2HD       ARG  40   7.978  -9.370   5.675
  250    HE   ARG  40           HE       ARG  40   6.518 -11.092   6.320
  251   1HH1  ARG  40          2HH2      ARG  40   4.768  -8.013   6.403
  252   2HH1  ARG  40          1HH2      ARG  40   3.213  -8.758   6.566
  253   1HH2  ARG  40          1HH1      ARG  40   3.064 -11.148   6.684
  254    H    ALA  41           H        ALA  41   8.181  -4.899   9.591
  255    HA   ALA  41           HA       ALA  41   8.578  -2.258   8.819
  256   1HB   ALA  41          1HB       ALA  41   8.481  -3.029  11.150
  257   2HB   ALA  41          2HB       ALA  41   9.989  -3.947  10.925
  258   3HB   ALA  41          3HB       ALA  41  10.010  -2.169  10.845
  259    H    GLY  42           H        GLY  42  10.112  -1.247   7.597
  260   1HA   GLY  42          1HA       GLY  42  12.449  -0.920   7.217
  261   2HA   GLY  42          2HA       GLY  42  12.677  -2.658   7.211
  262    H    LYS  43           H        LYS  43  10.023  -2.963   5.641
  263    HA   LYS  43           HA       LYS  43  11.270  -3.048   3.110
  264   1HB   LYS  43          1HB       LYS  43   9.188  -4.350   4.301
  265   2HB   LYS  43          2HB       LYS  43   8.321  -3.252   3.248
  266   1HG   LYS  43          1HG       LYS  43  10.509  -4.279   1.712
  267   2HG   LYS  43          2HG       LYS  43   9.807  -5.650   2.547
  268   1HD   LYS  43          1HD       LYS  43   8.553  -5.502   0.531
  269   2HD   LYS  43          2HD       LYS  43   7.504  -4.782   1.735
  270   1HE   LYS  43          1HE       LYS  43   7.788  -2.616   0.906
  271   2HE   LYS  43          2HE       LYS  43   9.408  -2.933   0.317
  272   1HZ   LYS  43          1HZ       LYS  43   8.467  -4.213  -1.504
  273   2HZ   LYS  43          2HZ       LYS  43   6.952  -4.051  -0.929
  274    H    ILE  44           H        ILE  44  11.097  -1.705   1.317
  275    HA   ILE  44           HA       ILE  44  10.742   1.003   1.970
  276    HB   ILE  44           HB       ILE  44  11.044  -0.345  -0.716
  277   1HG1  ILE  44          1HG1      ILE  44  12.920  -0.990   0.531
  278   2HG1  ILE  44          2HG1      ILE  44  13.460   0.392  -0.400
  279   1HG2  ILE  44          1HG2      ILE  44  11.979   1.894  -1.385
  280   2HG2  ILE  44          2HG2      ILE  44  10.223   1.855  -1.091
  281   3HG2  ILE  44          3HG2      ILE  44  11.315   2.545   0.134
  282   1HD1  ILE  44          1HD1      ILE  44  14.272   0.823   1.790
  283   2HD1  ILE  44          2HD1      ILE  44  12.805   1.823   1.678
  284   3HD1  ILE  44          3HD1      ILE  44  12.761   0.274   2.552
  285    H    CYS  45           H        CYS  45   8.890   2.124   2.192
  286    HA   CYS  45           HA       CYS  45   6.489   0.963   1.063
  287   1HB   CYS  45          1HB       CYS  45   5.304   2.614   2.439
  288   2HB   CYS  45          2HB       CYS  45   6.363   1.577   3.375
  289    H    ARG  46           H        ARG  46   8.787   3.647   0.700
  290    HA   ARG  46           HA       ARG  46   7.212   4.591  -1.535
  291   1HB   ARG  46          1HB       ARG  46   6.933   5.949   0.752
  292   2HB   ARG  46          2HB       ARG  46   8.489   6.627   0.315
  293   1HG   ARG  46          1HG       ARG  46   7.611   7.450  -1.818
  294   2HG   ARG  46          2HG       ARG  46   6.096   6.601  -1.580
  295   1HD   ARG  46          1HD       ARG  46   7.102   8.761   0.330
  296   2HD   ARG  46          2HD       ARG  46   6.056   9.107  -1.033
  297    HE   ARG  46           HE       ARG  46   4.326   7.678  -0.003
  298   1HH1  ARG  46          2HH2      ARG  46   7.171   7.792   2.058
  299   2HH1  ARG  46          1HH2      ARG  46   6.277   7.984   3.530
  300   1HH2  ARG  46          1HH1      ARG  46   3.879   7.840   3.452
  301    H    ILE  47           H        ILE  47   8.503   5.387  -3.268
  302    HA   ILE  47           HA       ILE  47  11.344   4.943  -2.995
  303    HB   ILE  47           HB       ILE  47   9.686   5.804  -5.368
  304   1HG1  ILE  47          1HG1      ILE  47   9.102   3.562  -4.350
  305   2HG1  ILE  47          2HG1      ILE  47   9.572   3.546  -6.038
  306   1HG2  ILE  47          1HG2      ILE  47  11.617   5.115  -6.705
  307   2HG2  ILE  47          2HG2      ILE  47  12.035   6.436  -5.587
  308   3HG2  ILE  47          3HG2      ILE  47  12.530   4.767  -5.217
  309   1HD1  ILE  47          1HD1      ILE  47  11.553   3.023  -3.781
  310   2HD1  ILE  47          2HD1      ILE  47  10.637   1.730  -4.592
  311   3HD1  ILE  47          3HD1      ILE  47  11.785   2.724  -5.521
  312    HA   PRO  48           HA       PRO  48  12.188   9.179  -2.346
  313   1HB   PRO  48          1HB       PRO  48  14.912   9.055  -2.515
  314   2HB   PRO  48          2HB       PRO  48  14.027   8.712  -1.042
  315   1HG   PRO  48          1HG       PRO  48  15.337   6.822  -2.900
  316   2HG   PRO  48          2HG       PRO  48  14.829   6.559  -1.243
  317   1HD   PRO  48          1HD       PRO  48  13.497   5.644  -3.613
  318   2HD   PRO  48          2HD       PRO  48  12.930   5.482  -1.963
  319    H    ARG  49           H        ARG  49  12.138  10.982  -3.618
  320    HA   ARG  49           HA       ARG  49  13.293  10.627  -6.227
  321   1HB   ARG  49          1HB       ARG  49  11.229  11.938  -6.106
  322   2HB   ARG  49          2HB       ARG  49  11.897  12.980  -4.864
  323   1HG   ARG  49          1HG       ARG  49  13.458  13.992  -6.401
  324   2HG   ARG  49          2HG       ARG  49  13.189  12.755  -7.612
  325   1HD   ARG  49          1HD       ARG  49  10.874  13.541  -7.971
  326   2HD   ARG  49          2HD       ARG  49  11.027  14.695  -6.661
  327    HE   ARG  49           HE       ARG  49  12.119  14.967  -9.365
  328   1HH1  ARG  49          2HH2      ARG  49  12.507  16.012  -6.003
  329   2HH1  ARG  49          1HH2      ARG  49  13.234  17.527  -6.427
  330   1HH2  ARG  49          1HH1      ARG  49  13.595  18.048  -8.738
  331    H    GLY  50           H        GLY  50  15.477  10.958  -6.523
  332   1HA   GLY  50          1HA       GLY  50  17.393  12.181  -6.570
  333   2HA   GLY  50          2HA       GLY  50  16.681  13.361  -5.486
  334    H    ASP  51           H        ASP  51  17.819  13.526  -3.585
  335    HA   ASP  51           HA       ASP  51  19.476  11.210  -3.002
  336   1HB   ASP  51          1HB       ASP  51  20.391  13.607  -3.607
  337   2HB   ASP  51          2HB       ASP  51  19.932  14.032  -1.969
  338    H    MET  52           H        MET  52  16.591  12.353  -2.056
  339    HA   MET  52           HA       MET  52  17.013  12.477   0.763
  340   1HB   MET  52          1HB       MET  52  14.653  12.905   0.853
  341   2HB   MET  52          2HB       MET  52  15.137  13.607  -0.679
  342   1HG   MET  52          1HG       MET  52  14.521  11.335  -1.760
  343   2HG   MET  52          2HG       MET  52  13.779  10.913  -0.229
  344   1HE   MET  52          1HE       MET  52  10.772  13.182   0.127
  345   2HE   MET  52          2HE       MET  52  11.612  11.689   0.613
  346   3HE   MET  52          3HE       MET  52  12.338  13.275   0.966
  347    HA   PRO  53           HA       PRO  53  16.788   8.371   1.712
  348   1HB   PRO  53          1HB       PRO  53  15.534   8.271   4.138
  349   2HB   PRO  53          2HB       PRO  53  17.191   8.805   3.936
  350   1HG   PRO  53          1HG       PRO  53  14.772  10.425   4.449
  351   2HG   PRO  53          2HG       PRO  53  16.453  10.866   4.665
  352   1HD   PRO  53          1HD       PRO  53  14.728  11.674   2.521
  353   2HD   PRO  53          2HD       PRO  53  16.439  12.020   2.676
  354    H    ASP  54           H        ASP  54  15.822   6.365   1.469
  355    HA   ASP  54           HA       ASP  54  13.232   6.422   0.435
  356   1HB   ASP  54          1HB       ASP  54  13.386   3.888   0.789
  357   2HB   ASP  54          2HB       ASP  54  14.651   4.598  -0.193
  358    H    ASP  55           H        ASP  55  11.218   6.081   1.489
  359    HA   ASP  55           HA       ASP  55  11.290   6.151   4.347
  360   1HB   ASP  55          1HB       ASP  55   9.657   7.415   2.757
  361   2HB   ASP  55          2HB       ASP  55   8.832   5.880   2.567
  362    H    ARG  56           H        ARG  56  10.265   4.456   5.709
  363    HA   ARG  56           HA       ARG  56  10.381   1.911   4.301
  364   1HB   ARG  56          1HB       ARG  56  11.763   2.765   6.884
  365   2HB   ARG  56          2HB       ARG  56  11.538   1.074   6.483
  366   1HG   ARG  56          1HG       ARG  56  12.846   1.302   4.436
  367   2HG   ARG  56          2HG       ARG  56  12.889   3.047   4.588
  368   1HD   ARG  56          1HD       ARG  56  14.251   2.877   6.646
  369   2HD   ARG  56          2HD       ARG  56  14.122   1.130   6.625
  370    HE   ARG  56           HE       ARG  56  15.185   1.985   4.108
  371   1HH1  ARG  56          2HH2      ARG  56  16.142   1.835   7.516
  372   2HH1  ARG  56          1HH2      ARG  56  17.828   1.658   7.164
  373   1HH2  ARG  56          1HH1      ARG  56  18.552   1.622   4.879
  374    H    CYS  57           H        CYS  57   9.161   0.139   5.327
  375    HA   CYS  57           HA       CYS  57   6.699   1.044   6.266
  376   1HB   CYS  57          1HB       CYS  57   7.971  -1.555   5.700
  377   2HB   CYS  57          2HB       CYS  57   6.707  -1.611   6.912
  378    H    THR  58           H        THR  58   5.751   0.912   8.392
  379    HA   THR  58           HA       THR  58   7.721   1.058  10.521
  380    HB   THR  58           HB       THR  58   4.733   1.388  10.879
  381    HG1  THR  58           HG1      THR  58   6.682   3.087   9.490
  382   1HG2  THR  58          1HG2      THR  58   5.490   3.358  12.203
  383   2HG2  THR  58          2HG2      THR  58   6.300   1.881  12.779
  384   3HG2  THR  58          3HG2      THR  58   7.175   3.028  11.737
  385    H    GLY  59           H        GLY  59   5.544  -1.263   9.112
  386   1HA   GLY  59          1HA       GLY  59   5.022  -3.370   9.718
  387   2HA   GLY  59          2HA       GLY  59   6.221  -3.279  10.993
  388    H    GLN  60           H        GLN  60   3.845  -0.699  10.969
  389    HA   GLN  60           HA       GLN  60   2.448  -2.030  13.136
  390   1HB   GLN  60          1HB       GLN  60   4.079   0.516  13.322
  391   2HB   GLN  60          2HB       GLN  60   2.717   0.264  14.396
  392   1HG   GLN  60          1HG       GLN  60   3.702  -1.673  15.393
  393   2HG   GLN  60          2HG       GLN  60   4.836  -1.889  14.076
  394   1HE2  GLN  60          1HE2      GLN  60   6.589  -0.451  13.830
  395   2HE2  GLN  60          2HE2      GLN  60   7.226   0.453  15.165
  396    H    SER  61           H        SER  61   1.931  -1.021  10.242
  397    HA   SER  61           HA       SER  61  -0.432   0.425  10.658
  398   1HB   SER  61          1HB       SER  61   1.001   2.298  11.213
  399   2HB   SER  61          2HB       SER  61   2.046   1.993   9.840
  400    HG   SER  61           HG       SER  61   0.742   3.625   9.118
  401    H    ALA  62           H        ALA  62  -1.570   0.774   8.609
  402    HA   ALA  62           HA       ALA  62  -0.579  -0.848   6.455
  403   1HB   ALA  62          1HB       ALA  62  -3.045   0.916   6.748
  404   2HB   ALA  62          2HB       ALA  62  -2.740  -0.214   5.407
  405   3HB   ALA  62          3HB       ALA  62  -2.958  -0.835   7.062
  406    H    ASP  63           H        ASP  63  -0.302   2.451   7.512
  407    HA   ASP  63           HA       ASP  63   0.436   3.213   4.795
  408   1HB   ASP  63          1HB       ASP  63  -1.652   4.333   5.568
  409   2HB   ASP  63          2HB       ASP  63  -0.823   4.916   6.997
  410    H    CYS  64           H        CYS  64   2.176   4.966   4.750
  411    HA   CYS  64           HA       CYS  64   4.096   4.259   6.796
  412   1HB   CYS  64          1HB       CYS  64   4.252   4.554   4.041
  413   2HB   CYS  64          2HB       CYS  64   5.037   5.998   4.649
  414    HA   PRO  65           HA       PRO  65   3.809   8.295   8.542
  415   1HB   PRO  65          1HB       PRO  65   6.078   8.278  10.065
  416   2HB   PRO  65          2HB       PRO  65   4.562   7.576  10.595
  417   1HG   PRO  65          1HG       PRO  65   7.006   6.211   9.644
  418   2HG   PRO  65          2HG       PRO  65   5.667   5.551  10.561
  419   1HD   PRO  65          1HD       PRO  65   6.171   5.193   7.760
  420   2HD   PRO  65          2HD       PRO  65   4.772   4.631   8.653
  421    H    ARG  66           H        ARG  66   7.264   7.722   8.023
  422    HA   ARG  66           HA       ARG  66   7.408   9.839   6.178
  423   1HB   ARG  66          1HB       ARG  66   6.940  11.123   8.298
  424   2HB   ARG  66          2HB       ARG  66   8.364  10.410   9.031
  425   1HG   ARG  66          1HG       ARG  66   8.899  11.656   6.390
  426   2HG   ARG  66          2HG       ARG  66   8.314  12.793   7.589
  427   1HD   ARG  66          1HD       ARG  66  10.652  10.874   8.037
  428   2HD   ARG  66          2HD       ARG  66  10.831  12.555   7.573
  429    HE   ARG  66           HE       ARG  66  10.094  11.542  10.223
  430   1HH1  ARG  66          2HH2      ARG  66   9.896  14.347   8.068
  431   2HH1  ARG  66          1HH2      ARG  66   9.802  15.493   9.364
  432   1HH2  ARG  66          1HH1      ARG  66   9.808  14.706  11.628
  433    H    TYR  67           H        TYR  67   9.263   8.324   8.955
  434    HA   TYR  67           HA       TYR  67  10.569   6.718   6.950
  435   1HB   TYR  67          1HB       TYR  67  12.009   8.801   7.280
  436   2HB   TYR  67          2HB       TYR  67  12.034   8.490   9.005
  437    HD1  TYR  67           HD1      TYR  67  13.454   6.761   9.954
  438    HD2  TYR  67           HD2      TYR  67  13.292   7.376   5.723
  439    HE1  TYR  67           HE1      TYR  67  15.539   5.336   9.660
  440    HE2  TYR  67           HE2      TYR  67  15.378   5.948   5.444
  441    HH   TYR  67           HH       TYR  67  16.948   4.477   8.275
  442    H    HIS  68           H        HIS  68  11.223   4.691   7.763
  443    HA   HIS  68           HA       HIS  68  10.709   2.932   8.997
  444   1HB   HIS  68          1HB       HIS  68  12.805   3.767  10.024
  445   2HB   HIS  68          2HB       HIS  68  11.864   4.655  11.207
  446    HD1  HIS  68           HD1      HIS  68  12.211   1.011  10.038
  447    HD2  HIS  68           HD2      HIS  68  11.442   3.245  13.504
  448    HE1  HIS  68           HE1      HIS  68  12.054  -0.670  11.951