*HEADER   ELECTRON TRANSPORT                      05-MAY-98   1BC6    
*TITLE    7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR,              
*TITLE   2 20 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: 7-FE FERREDOXIN;                                 
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: BACILLUS SCHLEGELII;                  
*SOURCE  3 COLLECTION: ATCC 43741;                                    
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 EXPRESSION_SYSTEM_STRAIN: JM 109;                          
*SOURCE  6 EXPRESSION_SYSTEM_PLASMID: PKKFD54                         
*KEYWDS   ELECTRON TRANSPORT, IRON-SULFUR                             
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   S.AONO,D.BENTROP,I.BERTINI,A.DONAIRE,C.LUCHINAT,Y.NIIKURA,  
*AUTHOR  2 A.ROSATO                                                   
*REVDAT  1   17-JUN-98 1BC6    0                                      
 
  1 ALA 
         HA     36 PRO  HB3     6.00   
         HA     41 ASP- HN      4.40   
         QB     36 PRO  HA      3.40   
         QB     36 PRO  HB2     5.30   
         QB     36 PRO  HB3     3.70   
         QB     36 PRO  QG      7.88   
         QB     39 CYS  HB2     4.00   
  2 TYR 
         HN     39 CYS  HB2     4.10   
         HA      3 VAL  HN      2.70   
         HA      3 VAL  QQG     7.70   
         HA     56 HIS  HA      2.40   
         HA     56 HIS  QB      6.58   
         HA     56 HIS  HD2     6.00   
         HA     57 GLU- HN      4.70   
         QB     34 ILE  HB      6.88   
         QR     41 ASP- HN      6.50   
         QR     41 ASP- QB      9.28   
  3 VAL 
         N      55 TYR  O       3.30   
         HN      3 VAL  HB      3.00   
         HN      4 ILE  HN      6.00   
         HN     55 TYR  HN      3.60   
         HN     55 TYR  HA      4.60   
         HN     55 TYR  HB2     6.00   
         HN     55 TYR  QD      8.00   
         HN     55 TYR  O       2.40   
         HN     56 HIS  HA      2.90   
         HN     60 VAL  QG2     6.80   
         HA      4 ILE  HN      3.10   
         HA      4 ILE  QG2     5.30   
         HA     34 ILE  HN      4.70   
         HA     34 ILE  HB      6.00   
         HA     71 ASN  QD2     7.00   
         HB      4 ILE  HN      5.10   
         HB     55 TYR  HN      6.00   
         HB     57 GLU- HA      4.90   
         HB     60 VAL  QG2     4.10   
         QQG     4 ILE  HN      5.80   
         QQG     5 THR  HN      8.40   
         QQG    55 TYR  HN      8.40   
         QQG    55 TYR  QD      10.40  
         QQG    57 GLU- HN      7.30   
         QQG    57 GLU- QB      6.08   
         QQG    60 VAL  QG1     6.70   
         QQG    60 VAL  QG2     6.20   
         QQG    67 TYR  HN      8.40   
         QQG    67 TYR  HB2     6.40   
         QQG    67 TYR  HB3     8.30   
         QQG    68 ILE  HN      7.00   
         QQG    68 ILE  HA      4.80   
         QQG    68 ILE  HB      7.90   
         QQG    68 ILE  QG2     5.90   
         QQG    68 ILE  QG1     6.58   
         QQG    68 ILE  QD1     5.80   
         QQG    71 ASN  HN      6.00   
         QQG    71 ASN  HB2     7.60   
         QQG    71 ASN  QD2     7.30   
  4 ILE 
         HN      4 ILE  HA      2.90   
         HN      4 ILE  HB      2.90   
         HN      4 ILE  QG2     3.40   
         HN     33 TYR  QE      8.00   
         HN     34 ILE  HN      4.10   
         HN     71 ASN  QD2     5.30   
         HA      5 THR  HN      2.50   
         HA     54 ILE  HA      3.90   
         HA     55 TYR  HN      3.60   
         HB     31 GLN  QE2     6.87   
         HB     33 TYR  HA      4.40   
         HB     71 ASN  HN      6.00   
         HB     71 ASN  QD2     6.70   
         QG2    33 TYR  HA      3.80   
         QG2    33 TYR  HB2     6.30   
         QG2    33 TYR  QE      6.80   
         QG2    71 ASN  HB2     5.80   
         QG1     5 THR  HN      6.90   
         QG1     5 THR  HA      7.00   
         QG1     9 ILE  QD1     6.80   
         QG1    33 TYR  HA      6.00   
         QG1    33 TYR  QD      9.00   
         QG1    55 TYR  HN      6.80   
         QG1    67 TYR  QD      9.00   
  5 THR 
         HN      5 THR  HB      3.90   
         HN      5 THR  QG2     4.00   
         HA      5 THR  HB      2.80   
         HA      5 THR  QG2     3.40   
         HA     67 TYR  HB2     4.50   
         HA     67 TYR  HB3     3.80   
         HA     67 TYR  QD      5.70   
         HA     67 TYR  QE      7.40   
         HB      7 PRO  HD2     3.60   
         HB      7 PRO  HD3     6.00   
         HB     55 TYR  QD      8.00   
         HB     64 TRP  QB      6.38   
         HB     64 TRP  HD1     5.80   
         HB     64 TRP  HE3     4.90   
         HB     67 TYR  QD      6.20   
         HB     67 TYR  QE      7.20   
         QG2     7 PRO  HD2     4.70   
         QG2    55 TYR  HN      5.00   
         QG2    55 TYR  HB2     7.00   
         QG2    55 TYR  QD      6.90   
         QG2    55 TYR  QE      7.10   
         QG2    60 VAL  HA      3.70   
         QG2    60 VAL  QG2     4.40   
         QG2    61 PRO  HD2     7.00   
         QG2    64 TRP  QB      5.28   
         QG2    64 TRP  HE3     4.10   
         QG2    67 TYR  QD      6.80   
         QG2    67 TYR  QE      9.00   
  6 GLU-
         HA      6 GLU- HB2     2.90   
         HA      6 GLU- HB3     2.80   
         HA      6 GLU- HG2     4.10   
         HA      6 GLU- HG3     3.30   
         HA      9 ILE  HN      4.00   
         HA      9 ILE  HB      6.00   
         HA      9 ILE  HG12    4.70   
         HA      9 ILE  HG13    4.70   
         HA      9 ILE  QG1     3.97   
         HA      9 ILE  QD1     3.50   
         HA     67 TYR  QD      8.00   
         HA     67 TYR  QE      5.80   
         HB2     7 PRO  HD2     4.80   
         HB2     7 PRO  HD3     4.50   
         HB2    64 TRP  HD1     6.00   
         HB2    64 TRP  HE1     4.60   
         HB2    64 TRP  HZ2     4.80   
         HB2    64 TRP  HH2     6.00   
         HB2    67 TYR  QE      7.10   
         HB3     7 PRO  QG      6.48   
         HB3     7 PRO  HD2     3.20   
         HB3     7 PRO  HD3     5.20   
         HB3    64 TRP  HE1     5.60   
         HB3    64 TRP  HZ2     6.00   
         HB3    64 TRP  HH2     5.50   
         HG2     7 PRO  HD3     4.90   
         HG2    64 TRP  HZ3     4.60   
         HG2    64 TRP  HZ2     3.70   
         HG2    64 TRP  HH2     3.10   
         HG3     7 PRO  HD3     3.70   
         HG3    64 TRP  HZ3     6.00   
         HG3    64 TRP  HZ2     5.10   
         HG3    64 TRP  HH2     6.00   
         HG3    67 TYR  QE      8.00   
         O       9 ILE  N       3.30   
         O       9 ILE  HN      2.40   
  7 PRO 
         HA      9 ILE  HN      4.10   
         QG     55 TYR  QE      8.88   
         QG     64 TRP  HZ3     6.28   
         HD2    64 TRP  HE3     6.00   
         HD2    64 TRP  HZ3     6.00   
         HD3    64 TRP  HZ3     6.00   
         HD3    64 TRP  HH2     6.00   
  8 CYS 
         SG     16 CYS  SG      6.38   
         SG     49 CYS  SG      6.38   
         FE     16 CYS  FE      2.66   
         FE     16 CYS  SA      2.32   
         FE     16 CYS  SB      2.32   
         FE     49 CYS  FE      2.66   
         SE     16 CYS  SA      3.51   
         SE     16 CYS  SB      3.51   
         SE     49 CYS  FE      2.32   
         SE     49 CYS  SE      3.51   
  9 ILE 
         HN      9 ILE  HA      2.70   
         HN      9 ILE  HB      2.40   
         HN      9 ILE  QG2     4.90   
         HN      9 ILE  HG12    3.70   
         HN      9 ILE  HG13    3.70   
         HN      9 ILE  QG1     3.12   
         HN      9 ILE  QD1     4.10   
         HA      9 ILE  QG2     3.40   
         HA      9 ILE  QD1     4.40   
         HA     31 GLN  QB      6.88   
         HB      9 ILE  HG12    3.00   
         HB      9 ILE  HG13    3.00   
         HB     10 GLY  HA2     5.30   
         HB     11 THR  HN      5.50   
         QG2     9 ILE  QD1     4.40   
         QG2    10 GLY  HN      3.50   
         QG2    10 GLY  HA1     7.00   
         QG2    10 GLY  HA2     6.10   
         QG2    30 ASP- HB2     7.00   
         QG2    30 ASP- HB3     3.80   
         QG2    31 GLN  HG2     7.00   
         QG1    67 TYR  QE      6.58   
         QD1    31 GLN  HG2     5.50   
         QD1    67 TYR  QE      7.80   
 10 GLY 
         HN     10 GLY  HA2     2.90   
         HN     11 THR  HN      4.30   
         HN     30 ASP- HB3     4.80   
         HN     31 GLN  QB      6.78   
         HN     31 GLN  HG3     5.20   
 11 THR 
         HA     11 THR  QG2     3.40   
 16 CYS 
         HA     16 CYS  HB2     2.80   
         HA     45 CYS  HB2     4.50   
         HB2    19 VAL  QG2     4.60   
         HB2    25 ILE  HB      5.50   
         HB2    25 ILE  QG1     3.70   
         HB2    45 CYS  HA      4.50   
         HB2    45 CYS  HB2     3.20   
         HB2    48 VAL  QQG     5.96   
         HB2    54 ILE  QD1     4.10   
         SG     49 CYS  SG      6.38   
         FE     49 CYS  FE      2.66   
         FE     49 CYS  SE      2.32   
         SA     49 CYS  SE      3.51   
         SB     49 CYS  FE      2.32   
         SB     49 CYS  SE      3.51   
 17 VAL 
         HA     17 VAL  HB      2.50   
         QQG    18 GLU- QB      8.54   
         QQG    18 GLU- HG2     6.86   
         QQG    19 VAL  QG1     7.56   
 18 GLU-
         HN     18 GLU- QB      3.59   
         HN     18 GLU- HG2     4.50   
         HN     18 GLU- HG3     5.00   
         HN     19 VAL  HN      3.20   
         QB     18 GLU- HG2     2.65   
         QB     18 GLU- HG3     2.75   
 19 VAL 
         HN     19 VAL  QG1     4.10   
         HN     19 VAL  QG2     3.90   
         HN     20 CYS  HN      3.70   
         HN     20 CYS  HB3     6.00   
         HA     19 VAL  HB      2.40   
         HA     19 VAL  QG1     3.40   
         QG2    45 CYS  HA      3.80   
         QG2    45 CYS  HB2     4.50   
         QG2    48 VAL  QG1     8.00   
         QG2    48 VAL  QG2     8.00   
         QG2    48 VAL  QQG     6.60   
 20 CYS 
         HN     20 CYS  HB3     3.10   
         HB3    21 PRO  QD      5.00   
         HB3    23 ASP- HN      4.50   
         HB3    23 ASP- HA      3.20   
         HB3    25 ILE  QG1     4.90   
         HB3    25 ILE  QD1     5.30   
         SG     39 CYS  SG      6.38   
         SG     42 CYS  SG      6.38   
         SG     45 CYS  SG      6.38   
         FE     39 CYS  FE      2.66   
         FE     39 CYS  SE      2.32   
         FE     42 CYS  FE      2.66   
         FE     45 CYS  FE      2.66   
         FE     45 CYS  SE      2.32   
         SE     39 CYS  SE      3.51   
         SE     42 CYS  FE      2.32   
         SE     42 CYS  SE      3.51   
         SE     45 CYS  FE      2.32   
         SE     45 CYS  SE      3.51   
 21 PRO 
         HB3    40 ILE  QG1     5.80   
 22 VAL 
         QQG    39 CYS  HB2     5.40   
 23 ASP-
         HN     23 ASP- HB2     3.70   
         HA     23 ASP- HB3     2.60   
         HB3    24 CYSN QB      6.88   
 24 CYSN
         HA     24 CYSN HB2     3.00   
         HA     24 CYSN HB3     3.00   
         HA     25 ILE  QG1     6.70   
         HA     26 HIS  HD2     6.00   
         HA     35 ASP- QB      6.88   
         HA     38 VAL  HB      6.00   
         HA     38 VAL  QG1     7.00   
         HA     38 VAL  QG2     7.00   
         HB2    35 ASP- HB2     5.15   
         HB2    35 ASP- HB3     5.15   
         HB2    38 VAL  HB      3.60   
         HB2    38 VAL  QG1     6.80   
         HB3    35 ASP- HB2     5.15   
         HB3    35 ASP- HB3     5.15   
         HB3    38 VAL  HB      3.60   
         HB3    38 VAL  QG1     6.80   
         QB     25 ILE  HA      6.68   
         QB     25 ILE  QG1     7.88   
         QB     35 ASP- HN      6.58   
         QB     35 ASP- QB      4.52   
         QB     38 VAL  HB      3.20   
         QB     38 VAL  QG1     5.99   
         QB     38 VAL  QG2     5.38   
 25 ILE 
         HN     26 HIS  HN      5.10   
         HA     26 HIS  HN      2.40   
         HA     26 HIS  HD2     4.50   
         HA     34 ILE  HA      2.40   
         QG1    26 HIS  HN      5.00   
         QG1    34 ILE  HB      5.50   
         QG1    34 ILE  QG2     8.00   
         QG1    35 ASP- HN      7.00   
 26 HIS 
         N      33 TYR  O       3.30   
         HN     26 HIS  HB2     3.50   
         HN     26 HIS  HB3     3.50   
         HN     26 HIS  QB      3.00   
         HN     26 HIS  HD2     4.40   
         HN     33 TYR  HN      3.20   
         HN     33 TYR  HB3     6.00   
         HN     33 TYR  O       2.40   
         HN     34 ILE  HA      3.10   
         HN     75 PHE  QE      8.00   
         HN     75 PHE  HZ      5.50   
         HA     26 HIS  HB2     3.00   
         HA     26 HIS  HB3     3.00   
         HA     26 HIS  QB      2.72   
         HA     26 HIS  HD2     6.00   
         HA     27 GLU- QG      6.88   
         HB2    27 GLU- HN      3.90   
         HB2    75 PHE  QE      7.50   
         HB2    75 PHE  HZ      4.30   
         HB3    27 GLU- HN      3.90   
         HB3    75 PHE  QE      7.50   
         HB3    75 PHE  HZ      4.30   
         QB     27 GLU- QG      7.75   
         QB     33 TYR  HB2     6.88   
         QB     74 PHE  QE      8.68   
         QB     75 PHE  QE      7.15   
         HD2    35 ASP- HB2     5.70   
         HD2    35 ASP- HB3     5.70   
         HD2    35 ASP- QB      5.34   
         HD2    75 PHE  HZ      3.20   
         O      33 TYR  N       3.30   
         O      33 TYR  HN      2.40   
 27 GLU-
         HN     27 GLU- HB2     2.80   
         HN     27 GLU- QG      4.68   
         HN     33 TYR  QE      8.00   
         HA     27 GLU- HB3     2.60   
         HA     27 GLU- HG2     3.90   
         HA     27 GLU- HG3     3.90   
         HA     27 GLU- QG      3.70   
         HA     28 GLY  HN      3.10   
         HA     32 TYR  HN      5.50   
         HA     32 TYR  HA      2.40   
         HA     32 TYR  HB3     6.00   
         HA     33 TYR  HN      3.10   
         HA     33 TYR  QE      8.00   
         HB2    27 GLU- QG      2.65   
         HB2    28 GLY  HN      6.00   
         HB2    28 GLY  QA      5.28   
         HB2    33 TYR  QE      8.00   
         HB3    27 GLU- QG      2.75   
         HB3    28 GLY  HN      4.70   
         HB3    32 TYR  HB3     5.60   
         HB3    32 TYR  QR      8.40   
         HG2    28 GLY  HN      6.00   
         HG2    32 TYR  QR      8.40   
         HG3    28 GLY  HN      6.00   
         HG3    32 TYR  QR      8.40   
 28 GLY 
         N      31 GLN  O       3.30   
         HN     31 GLN  O       2.40   
         HN     32 TYR  HA      2.40   
         HN     33 TYR  HN      6.00   
         HN     33 TYR  QD      8.00   
         HA1    29 GLU- HN      3.20   
         HA1    74 PHE  QE      6.50   
         HA2    29 GLU- HN      3.20   
         HA2    74 PHE  QE      6.50   
         QA     29 GLU- HN      2.69   
         QA     33 TYR  QD      6.08   
         QA     33 TYR  QE      8.88   
         QA     70 LYS+ QD      7.88   
         QA     74 PHE  QE      6.34   
         QA     74 PHE  HZ      3.48   
 29 GLU-
         HN     29 GLU- HA      2.90   
         HN     29 GLU- HB2     3.20   
         HN     29 GLU- HB3     3.40   
         HN     29 GLU- HG2     5.90   
         HN     29 GLU- HG3     5.90   
         HN     29 GLU- QG      5.26   
         HN     30 ASP- HN      3.10   
         HN     33 TYR  QD      8.00   
         HN     74 PHE  QE      8.00   
         HN     74 PHE  HZ      6.00   
         HA     29 GLU- HB3     2.80   
         HA     29 GLU- HG2     3.70   
         HA     29 GLU- HG3     3.70   
         HA     29 GLU- QG      3.49   
         HA     30 ASP- HA      5.30   
         HB2    30 ASP- HN      3.10   
         HB2    30 ASP- HA      5.70   
         HB2    74 PHE  HZ      6.00   
         HB3    30 ASP- HN      3.10   
         HB3    30 ASP- HA      5.50   
         QG     30 ASP- HN      6.28   
 30 ASP-
         HN     30 ASP- HB2     3.00   
         HN     30 ASP- HB3     3.40   
         HN     31 GLN  HN      2.40   
         HN     33 TYR  QD      8.00   
         HB3    31 GLN  HN      4.80   
 31 GLN 
         HN     31 GLN  HG2     4.50   
         HN     31 GLN  HG3     4.30   
         HN     31 GLN  QE2     6.87   
         HA     31 GLN  HB2     3.00   
         HA     31 GLN  HB3     3.00   
         HA     31 GLN  QB      2.72   
         HA     32 TYR  HN      3.20   
         HA     32 TYR  HB3     6.00   
         HG2    33 TYR  QD      7.80   
         HG3    32 TYR  HN      6.00   
         HG3    32 TYR  HA      6.00   
         HG3    33 TYR  HA      5.30   
         HG3    33 TYR  QD      8.00   
         HG3    33 TYR  QE      8.00   
         QE2    32 TYR  HN      6.87   
 32 TYR 
         HN     33 TYR  HN      4.80   
         HN     33 TYR  QE      8.00   
         HA     32 TYR  HB3     2.80   
         HA     33 TYR  HN      2.40   
         HA     33 TYR  QD      8.00   
         HB3    33 TYR  HN      3.10   
         HB3    33 TYR  QE      7.20   
 33 TYR 
         HN     33 TYR  HB2     3.50   
         HN     33 TYR  HB3     3.80   
         HN     34 ILE  HN      4.70   
         HN     75 PHE  HZ      6.00   
         HA     34 ILE  HN      2.60   
         HB2    34 ILE  HN      3.20   
         HB2    75 PHE  QE      5.40   
         HB2    75 PHE  HZ      4.30   
         HB3    34 ILE  HN      4.00   
         HB3    75 PHE  QE      6.10   
         HB3    75 PHE  HZ      5.40   
         QD     70 LYS+ HB3     8.00   
         QD     70 LYS+ HG2     7.30   
         QD     70 LYS+ HG3     7.90   
         QD     70 LYS+ QE      8.20   
         QD     71 ASN  HN      8.00   
         QD     71 ASN  HA      7.20   
         QD     74 PHE  HN      8.00   
         QD     74 PHE  QB      8.88   
         QD     74 PHE  QD      10.00  
         QD     74 PHE  QE      9.90   
         QD     74 PHE  HZ      8.00   
         QD     75 PHE  QE      10.00  
         QE     71 ASN  HA      8.00   
         QE     74 PHE  QB      7.88   
         QE     75 PHE  QE      10.00  
         HH     67 TYR  QD      6.90   
         HH     67 TYR  QE      7.40   
         HH     71 ASN  QD2     7.00   
 34 ILE 
         HN     34 ILE  HB      2.70   
         HN     75 PHE  QE      7.90   
         HA     35 ASP- HN      2.40   
         HA     75 PHE  QE      8.00   
         HB     35 ASP- HN      5.20   
         QG2    39 CYS  HB2     3.00   
 35 ASP-
         HN     35 ASP- HA      2.80   
         HN     35 ASP- HB2     3.60   
         HN     35 ASP- HB3     3.60   
         HN     35 ASP- QB      3.06   
         HN     75 PHE  QE      7.90   
         HN     75 PHE  HZ      5.70   
         HA     36 PRO  HG2     6.00   
         HA     36 PRO  HG3     6.00   
         HA     36 PRO  QD      3.25   
         HA     37 ASP- HN      3.80   
         HA     75 PHE  QD      5.50   
         HA     75 PHE  QE      5.70   
         HA     75 PHE  HZ      6.00   
         HB2    36 PRO  HD2     7.75   
         HB2    36 PRO  HD3     7.75   
         HB2    38 VAL  QG2     4.80   
         HB2    75 PHE  QE      8.00   
         HB3    36 PRO  HD2     7.75   
         HB3    36 PRO  HD3     7.75   
         HB3    38 VAL  QG2     4.80   
         HB3    75 PHE  QE      8.00   
         QB     36 PRO  QD      6.29   
         QB     37 ASP- HB2     6.88   
         QB     38 VAL  HB      5.18   
         QB     38 VAL  QG2     4.57   
         QB     75 PHE  QB      6.85   
         QB     75 PHE  QD      8.48   
         O      39 CYS  N       3.30   
         O      39 CYS  HN      2.40   
 36 PRO 
         HA     38 VAL  HN      5.30   
         HA     39 CYS  HN      3.40   
         HA     39 CYS  HB2     3.00   
         HB2    72 ARG+ QD      6.88   
         HB2    72 ARG+ HE      6.00   
         HG2    72 ARG+ HA      4.70   
         HG2    72 ARG+ HG3     6.00   
         HG3    72 ARG+ HA      4.70   
         HG3    72 ARG+ HG3     6.00   
         QG     37 ASP- HN      5.06   
         QG     37 ASP- HB2     6.18   
         QG     72 ARG+ HG3     5.50   
         HD2    75 PHE  QD      8.00   
         HD2    75 PHE  QE      8.00   
         HD3    75 PHE  QD      8.00   
         HD3    75 PHE  QE      8.00   
         QD     72 ARG+ HA      4.48   
         QD     72 ARG+ HG3     5.08   
         QD     75 PHE  QD      7.80   
         QD     76 LYS+ QD      7.88   
 37 ASP-
         HN     37 ASP- HB2     3.00   
         HN     37 ASP- HB3     3.10   
         HN     38 VAL  HN      3.60   
         HN     38 VAL  QG2     7.00   
         HA     37 ASP- HB2     2.70   
         HB2    38 VAL  HN      3.90   
         HB2    38 VAL  QG2     7.00   
         HB3    38 VAL  HN      4.00   
         HB3    38 VAL  QG2     5.50   
 38 VAL 
         HN     38 VAL  HB      2.80   
         HN     38 VAL  QG2     3.80   
         HN     39 CYS  HN      2.50   
         HA     38 VAL  QG1     3.40   
         HA     38 VAL  QG2     3.40   
         HB     39 CYS  HN      3.20   
         QG1    39 CYS  HB2     5.10   
         QG2    39 CYS  HN      7.00   
 39 CYS 
         HN     39 CYS  HB2     2.40   
         SG     41 ASP- HN      2.70   
         SG     42 CYS  SG      6.38   
         SG     45 CYS  SG      6.38   
         FE     42 CYS  FE      2.66   
         FE     42 CYS  SE      2.32   
         FE     45 CYS  FE      2.66   
         FE     45 CYS  SE      2.32   
         SE     42 CYS  FE      2.32   
         SE     42 CYS  SE      3.51   
         SE     45 CYS  SE      3.51   
 40 ILE 
         HA     40 ILE  HB      2.40   
         HA     41 ASP- HN      3.40   
         HB     41 ASP- HN      4.80   
         HB     41 ASP- QB      6.88   
         HB     42 CYS  HB3     4.50   
         QG1    41 ASP- HN      4.90   
         QG1    42 CYS  HB3     3.10   
         QD1    41 ASP- HN      5.10   
 41 ASP-
         HN     41 ASP- HB2     4.10   
         HN     41 ASP- HB3     4.10   
         HN     41 ASP- QB      3.81   
 42 CYS 
         HA     42 CYS  HB3     2.90   
         SG     45 CYS  SG      6.38   
         FE     45 CYS  FE      2.66   
         SE     45 CYS  FE      2.32   
         SE     45 CYS  SE      3.51   
 43 GLY 
         HA1    46 GLU- HN      5.60   
         HA2    46 GLU- HN      5.60   
         QA     46 GLU- HN      5.09   
 45 CYS 
         HA     48 VAL  QQG     5.56   
         HB2    48 VAL  QQG     6.06   
         HB2    54 ILE  QD1     4.50   
         O      49 CYS  N       3.30   
         O      49 CYS  HN      2.40   
 46 GLU-
         HN     54 ILE  HB      6.00   
         HN     54 ILE  QG2     7.00   
         QB     47 ALA  HA      4.80   
         QB     54 ILE  QG2     6.90   
 47 ALA 
         HN     47 ALA  QB      3.40   
         HN     48 VAL  HN      3.00   
         QB     48 VAL  HN      3.60   
         QB     48 VAL  HA      4.90   
         QB     48 VAL  QQG     8.06   
 48 VAL 
         HN     48 VAL  QG1     4.10   
         HN     48 VAL  QG2     4.10   
         HN     48 VAL  QQG     3.63   
         HN     49 CYS  HN      5.30   
         HA     48 VAL  HB      2.60   
         QQG    49 CYS  HB2     6.96   
 49 CYS 
         HN     49 CYS  HB2     3.50   
         HN     49 CYS  HB3     3.30   
         HB2    52 SER  HA      3.80   
         HB2    53 ALA  HN      4.40   
         HB2    54 ILE  HN      4.40   
         HB2    54 ILE  HB      3.80   
         HB2    54 ILE  QG2     5.40   
         HB2    54 ILE  QG1     4.90   
         HB2    54 ILE  QD1     4.60   
         HB3    52 SER  HN      4.40   
         HB3    52 SER  HA      2.90   
         HB3    52 SER  QB      5.18   
         HB3    53 ALA  HN      4.10   
         HB3    54 ILE  HN      4.10   
         HB3    54 ILE  HB      4.10   
         SG     54 ILE  HN      2.70   
 50 PRO 
         HB2    51 VAL  QG2     3.90   
 51 VAL 
         HA     51 VAL  QG1     3.40   
         HA     51 VAL  QG2     3.40   
         QG1    52 SER  HN      6.20   
 52 SER 
         HA     52 SER  HB2     3.00   
         HA     52 SER  HB3     3.00   
         HA     52 SER  QB      2.57   
         HA     54 ILE  HN      3.90   
 54 ILE 
         HN     54 ILE  HB      3.50   
         HA     54 ILE  QG2     3.40   
         HA     55 TYR  HN      2.40   
         HA     55 TYR  HB2     4.50   
         HA     55 TYR  QD      7.70   
 55 TYR 
         HN     55 TYR  HA      2.90   
         HN     55 TYR  HB2     2.50   
         HN     55 TYR  HB3     3.70   
         HN     55 TYR  QE      6.90   
         HN     60 VAL  QG2     5.10   
         HA     55 TYR  HB2     2.90   
         HA     55 TYR  HB3     2.60   
         HA     56 HIS  HN      2.50   
         HA     56 HIS  HB2     5.10   
         HA     56 HIS  HB3     5.10   
         HA     56 HIS  QB      4.41   
         HA     60 VAL  QG2     6.10   
         HB2    60 VAL  HA      3.90   
         HB2    60 VAL  QG2     3.40   
         HB3    56 HIS  HN      3.40   
         HB3    56 HIS  HA      5.10   
         HB3    59 PHE  HB2     4.90   
         HB3    60 VAL  HA      3.80   
         HB3    60 VAL  HB      6.00   
         HB3    60 VAL  QG2     4.90   
         QD     56 HIS  HN      8.00   
         QD     59 PHE  HB2     7.00   
         QD     59 PHE  HB3     6.70   
         QD     60 VAL  HA      6.60   
         QD     60 VAL  QG2     6.30   
         QD     61 PRO  HD2     6.90   
         QD     61 PRO  HD3     7.10   
         QE     60 VAL  HA      8.00   
         QE     61 PRO  HG2     8.00   
         QE     61 PRO  HG3     8.00   
         QE     61 PRO  HD2     7.50   
         QE     61 PRO  HD3     8.00   
         QE     64 TRP  HE3     7.20   
         QE     64 TRP  HZ3     5.40   
 56 HIS 
         HN     56 HIS  QB      3.38   
         HN     59 PHE  HB2     2.80   
         HN     59 PHE  QD      8.00   
         HA     56 HIS  HD2     5.10   
         HA     56 HIS  HE1     5.70   
         HA     57 GLU- HN      2.50   
         HB2    59 PHE  HN      4.70   
         HB2    59 PHE  HB3     6.00   
         HB2    59 PHE  QD      7.60   
         HB3    59 PHE  HN      4.70   
         HB3    59 PHE  HB3     6.00   
         HB3    59 PHE  QD      7.60   
         QB     58 ASP- HN      4.68   
         QB     59 PHE  HN      4.05   
         QB     59 PHE  HB2     6.88   
         QB     59 PHE  QD      6.75   
         HD2    57 GLU- HN      6.00   
         HE1    57 GLU- QB      5.38   
         HE1    57 GLU- QG      6.38   
         HE1    58 ASP- HN      4.90   
         HE1    58 ASP- HB2     3.60   
         HE1    58 ASP- HB3     6.00   
         O      60 VAL  N       3.30   
         O      60 VAL  HN      2.40   
 57 GLU-
         HN     57 GLU- HB2     3.40   
         HN     57 GLU- HB3     3.40   
         HN     57 GLU- QB      3.08   
         HN     57 GLU- QG      4.68   
         HN     58 ASP- HN      3.60   
         HA     57 GLU- HB2     3.00   
         HA     57 GLU- HB3     3.00   
         HA     57 GLU- QB      2.72   
         HA     57 GLU- QG      4.00   
         HA     60 VAL  HN      4.30   
         HA     60 VAL  HB      2.40   
         HA     65 LYS+ QD      7.00   
         HA     68 ILE  QG1     6.68   
         HA     68 ILE  QD1     6.30   
         HB2    58 ASP- HN      4.80   
         HB2    68 ILE  QG2     5.20   
         HB3    58 ASP- HN      4.80   
         HB3    68 ILE  QG2     5.20   
         QB     57 GLU- QG      2.48   
         QB     58 ASP- HN      4.19   
         QB     60 VAL  QG1     7.18   
         QB     68 ILE  QG2     4.56   
         QB     68 ILE  QG1     5.25   
         QG     58 ASP- HN      4.68   
         QG     68 ILE  QG2     6.98   
 58 ASP-
         HN     58 ASP- HA      2.90   
         HN     58 ASP- HB2     2.60   
         HN     58 ASP- HB3     3.10   
         HN     59 PHE  HN      3.00   
         HN     59 PHE  QD      8.00   
         HN     60 VAL  HN      3.60   
         HA     58 ASP- HB2     3.00   
         HB2    59 PHE  HN      4.30   
         HB2    59 PHE  QD      8.00   
         HB3    59 PHE  HN      4.80   
         HB3    59 PHE  QD      8.00   
 59 PHE 
         HN     59 PHE  HB2     3.20   
         HN     59 PHE  HB3     3.20   
         HN     60 VAL  HN      2.40   
         HN     60 VAL  HB      4.50   
         HN     60 VAL  QG2     6.00   
         HA     59 PHE  HB2     3.00   
         HB3    60 VAL  HN      6.00   
         HB3    60 VAL  HA      4.90   
         HB3    60 VAL  QG2     5.40   
 60 VAL 
         HN     60 VAL  HB      2.40   
         HN     60 VAL  QG2     3.40   
         HN     61 PRO  HD3     6.00   
         HA     60 VAL  QG1     3.40   
         HA     60 VAL  QG2     3.40   
         HA     61 PRO  HD2     2.80   
         HA     61 PRO  HD3     2.40   
         HA     64 TRP  QB      4.78   
         HB     61 PRO  HD2     6.00   
         HB     65 LYS+ HA      6.00   
         HB     68 ILE  QG1     4.78   
         QG1    61 PRO  HD2     7.00   
         QG1    61 PRO  HD3     5.20   
         QG1    64 TRP  HB2     6.40   
         QG1    64 TRP  HB3     6.40   
         QG1    64 TRP  QB      6.19   
         QG1    65 LYS+ QG      8.00   
         QG1    65 LYS+ QE      6.80   
         QG1    67 TYR  HN      7.00   
         QG1    68 ILE  QD1     8.00   
         QG2    61 PRO  HD2     3.40   
         QG2    61 PRO  HD3     4.40   
         QG2    64 TRP  HN      6.70   
         QG2    64 TRP  HA      6.70   
         QG2    64 TRP  QB      4.48   
         QG2    64 TRP  HE3     5.40   
         QG2    65 LYS+ HA      6.50   
         QG2    67 TYR  QD      9.00   
         QG2    68 ILE  QG1     5.08   
 61 PRO 
         HA     62 GLU- HN      2.80   
         HB2    62 GLU- HN      3.90   
         HB2    63 GLU- HN      4.30   
         HB2    64 TRP  HB2     7.75   
         HB2    64 TRP  HB3     7.75   
         HB3    62 GLU- HN      3.90   
         HB3    63 GLU- HN      4.30   
         HB3    64 TRP  HB2     7.75   
         HB3    64 TRP  HB3     7.75   
         QB     62 GLU- HN      3.70   
         QB     63 GLU- HN      3.73   
         QB     63 GLU- QB      5.95   
         QB     64 TRP  QB      6.82   
         QB     64 TRP  HE3     5.68   
         HG2    64 TRP  HE3     6.00   
         HG3    64 TRP  HE3     6.00   
         QG     64 TRP  HN      6.88   
         QG     64 TRP  QB      7.75   
         QG     64 TRP  HE3     5.74   
         QG     64 TRP  HZ3     4.78   
         HD2    64 TRP  QB      6.68   
         HD2    64 TRP  HD1     6.00   
         HD2    64 TRP  HE3     3.10   
         HD3    64 TRP  QB      5.38   
         HD3    64 TRP  HE3     5.00   
         O      64 TRP  N       3.30   
         O      64 TRP  HN      2.40   
 62 GLU-
         HN     62 GLU- HA      2.70   
         HN     62 GLU- HB2     3.00   
         HN     62 GLU- HB3     3.00   
         HN     62 GLU- HG2     5.10   
         HN     62 GLU- HG3     5.10   
         HN     62 GLU- QG      4.87   
         HN     63 GLU- HN      3.10   
         HN     65 LYS+ QG      7.00   
         HA     65 LYS+ HN      3.30   
         HA     65 LYS+ QG      7.00   
         HA     65 LYS+ QD      5.50   
         HA     65 LYS+ QE      5.30   
         HB2    62 GLU- QG      2.65   
         HB2    63 GLU- HN      4.10   
         HB2    65 LYS+ QD      7.00   
         HB3    63 GLU- HN      3.10   
         HB3    65 LYS+ QG      7.00   
         HG2    65 LYS+ QD      7.00   
         HG3    65 LYS+ QD      7.00   
         QG     63 GLU- HN      6.88   
         QG     65 LYS+ HB2     4.58   
         QG     65 LYS+ HB3     6.88   
 63 GLU-
         HN     63 GLU- HA      2.80   
         HN     63 GLU- HB2     3.00   
         HN     63 GLU- HB3     3.00   
         HN     63 GLU- QB      2.62   
         HN     63 GLU- QG      5.50   
         HN     64 TRP  HN      3.00   
         HA     63 GLU- QB      2.60   
         HB2    64 TRP  HN      5.40   
         HB3    64 TRP  HN      5.40   
         QB     64 TRP  HN      4.55   
         QB     64 TRP  HE3     6.88   
         QG     64 TRP  HD1     7.00   
         QG     64 TRP  HE1     7.00   
         QG     64 TRP  HH2     7.00   
 64 TRP 
         HN     64 TRP  HB2     3.70   
         HN     64 TRP  HB3     3.70   
         HN     64 TRP  QB      3.44   
         HN     65 LYS+ HN      2.70   
         HA     64 TRP  HD1     2.90   
         HA     64 TRP  HE3     6.00   
         HA     64 TRP  HE1     6.00   
         HA     65 LYS+ HN      3.30   
         HA     66 SER  HN      3.70   
         HA     67 TYR  HN      4.00   
         HA     67 TYR  QD      5.40   
         HA     67 TYR  QE      7.10   
         HB2    67 TYR  QD      6.70   
         HB2    67 TYR  QE      8.00   
         HB3    67 TYR  QD      6.70   
         HB3    67 TYR  QE      8.00   
         QB     65 LYS+ HN      5.18   
         QB     67 TYR  HN      5.68   
         QB     67 TYR  QD      5.98   
         HD1    67 TYR  QD      6.90   
         HD1    67 TYR  QE      5.70   
         HE1    67 TYR  QD      8.00   
         HE1    67 TYR  QE      8.00   
 65 LYS+
         HN     65 LYS+ HB2     2.70   
         HN     65 LYS+ HB3     4.20   
         HN     65 LYS+ QG      5.00   
         HN     65 LYS+ QD      6.80   
         HN     66 SER  HN      3.50   
         HA     65 LYS+ QD      5.00   
         HA     65 LYS+ QE      4.30   
         HA     68 ILE  HN      3.60   
         HA     68 ILE  HB      3.70   
         HA     68 ILE  QG1     4.88   
         HA     68 ILE  QD1     7.00   
         HB2    65 LYS+ QD      3.80   
         HB2    65 LYS+ QE      6.30   
         HB2    66 SER  HN      4.20   
         HB3    65 LYS+ QD      3.70   
         HB3    65 LYS+ QE      5.70   
         HB3    68 ILE  QG1     6.28   
         QG     68 ILE  HB      7.00   
         QG     68 ILE  QG1     7.88   
         QG     68 ILE  QD1     7.30   
         QD     68 ILE  QG2     7.60   
         QE     68 ILE  QG2     6.70   
         QE     68 ILE  QG1     7.68   
         QE     68 ILE  QD1     8.00   
 66 SER 
         HN     66 SER  HA      2.80   
         HN     66 SER  QB      3.72   
         HN     67 TYR  HN      3.40   
         HA     69 GLN  QB      4.48   
         O      70 LYS+ N       3.30   
         O      70 LYS+ HN      2.40   
 67 TYR 
         HN     67 TYR  HB2     2.60   
         HN     67 TYR  QE      6.80   
         HN     68 ILE  HN      2.90   
         HA     67 TYR  HB3     2.70   
         HA     70 LYS+ HN      4.00   
         HA     70 LYS+ HB2     2.40   
         HA     70 LYS+ HB3     2.40   
         HA     70 LYS+ HG2     6.00   
         HA     70 LYS+ HG3     6.00   
         HA     70 LYS+ QD      7.00   
         HA     71 ASN  HN      3.80   
         HB2    68 ILE  HN      4.50   
         HB3    68 ILE  HA      3.80   
         HB3    71 ASN  HN      4.30   
         HB3    71 ASN  QD2     6.30   
         QD     70 LYS+ HB2     8.00   
         QD     70 LYS+ HB3     8.00   
         QD     70 LYS+ HG2     8.00   
         QD     70 LYS+ HG3     6.20   
         QD     71 ASN  HN      7.30   
         QD     71 ASN  QD2     8.20   
         QE     70 LYS+ HG3     8.00   
         QE     70 LYS+ QD      9.00   
         O      71 ASN  N       3.30   
         O      71 ASN  HN      2.40   
 68 ILE 
         HN     68 ILE  HA      2.90   
         HN     68 ILE  HB      2.50   
         HN     68 ILE  QG2     4.30   
         HN     68 ILE  HG12    4.00   
         HN     68 ILE  HG13    4.00   
         HN     68 ILE  QG1     3.51   
         HN     68 ILE  QD1     3.90   
         HN     69 GLN  HN      3.00   
         HN     70 LYS+ HN      4.70   
         HA     68 ILE  QG2     3.40   
         HA     68 ILE  HG12    4.10   
         HA     68 ILE  HG13    4.10   
         HA     68 ILE  QG1     3.62   
         HA     68 ILE  QD1     3.40   
         HA     69 GLN  HN      3.60   
         HA     71 ASN  HN      4.50   
         HB     68 ILE  QD1     3.40   
         HB     69 GLN  HN      3.70   
         QG2    68 ILE  HG12    3.40   
         QG2    68 ILE  HG13    3.40   
         QG2    69 GLN  HN      4.80   
         QG2    72 ARG+ QD      6.28   
         QG1    69 GLN  HN      6.78   
         O      72 ARG+ N       3.30   
         O      72 ARG+ HN      2.40   
 69 GLN 
         HN     69 GLN  HB2     3.40   
         HN     69 GLN  HB3     3.40   
         HN     69 GLN  QB      2.90   
         HN     69 GLN  HG2     6.00   
         HN     69 GLN  HG3     4.80   
         HN     69 GLN  QE2     4.57   
         HN     70 LYS+ HN      4.70   
         HA     69 GLN  HG2     3.80   
         HA     69 GLN  HG3     4.10   
         HA     69 GLN  QE2     4.97   
         HA     72 ARG+ HN      4.00   
         HA     72 ARG+ HB2     2.40   
         HA     72 ARG+ HB3     3.70   
         HA     72 ARG+ HD2     6.00   
         HA     72 ARG+ HD3     6.00   
         HA     72 ARG+ QD      5.69   
         HA     76 LYS+ QE      7.00   
         HB2    69 GLN  HG2     3.00   
         HB2    69 GLN  HE21    5.25   
         HB2    69 GLN  HE22    5.25   
         HB2    70 LYS+ HN      3.70   
         HB3    69 GLN  HG2     3.00   
         HB3    69 GLN  HE21    5.25   
         HB3    69 GLN  HE22    5.25   
         HB3    70 LYS+ HN      3.70   
         QB     69 GLN  HG3     2.75   
         QB     69 GLN  QE2     4.02   
         QB     70 LYS+ HN      3.25   
         HG3    72 ARG+ HB2     5.10   
         HG3    72 ARG+ HB3     6.00   
         HG3    72 ARG+ QD      4.88   
         QE2    72 ARG+ QD      7.74   
         O      73 ASP- N       3.30   
         O      73 ASP- HN      2.40   
 70 LYS+
         HN     70 LYS+ HB2     2.50   
         HN     70 LYS+ HB3     2.90   
         HN     70 LYS+ HG2     6.00   
         HN     70 LYS+ HG3     5.40   
         HN     71 ASN  HN      3.30   
         HA     70 LYS+ HB2     2.60   
         HA     70 LYS+ HB3     3.00   
         HA     70 LYS+ HG2     3.10   
         HA     70 LYS+ HG3     4.20   
         HA     70 LYS+ QD      5.40   
         HA     70 LYS+ QE      7.00   
         HA     73 ASP- HN      3.00   
         HA     73 ASP- HB2     2.50   
         HA     73 ASP- HB3     3.70   
         HB2    70 LYS+ HG3     2.80   
         HB2    70 LYS+ QE      7.00   
         HB2    71 ASN  HN      4.60   
         HB3    71 ASN  HN      2.90   
         HG2    71 ASN  HN      6.00   
         HG2    71 ASN  HA      5.80   
         HG2    74 PHE  HZ      5.30   
         HG3    70 LYS+ QE      4.00   
         HG3    71 ASN  HN      6.00   
         HG3    74 PHE  HZ      6.00   
         QD     71 ASN  HN      6.70   
         QD     71 ASN  HA      7.00   
         QD     74 PHE  QD      9.00   
         QD     74 PHE  QE      9.00   
         QD     74 PHE  HZ      7.00   
         O      74 PHE  N       3.30   
         O      74 PHE  HN      2.40   
 71 ASN 
         HN     71 ASN  HA      2.90   
         HN     71 ASN  HB2     2.40   
         HN     71 ASN  HB3     3.50   
         HN     71 ASN  QD2     3.40   
         HN     72 ARG+ HN      3.10   
         HA     71 ASN  HB2     3.00   
         HA     71 ASN  HB3     2.80   
         HA     74 PHE  HN      3.50   
         HA     74 PHE  HB2     3.90   
         HA     74 PHE  HB3     3.90   
         HA     74 PHE  QB      3.60   
         HA     75 PHE  QE      8.00   
         HB2    72 ARG+ HN      3.20   
         HB3    72 ARG+ HN      4.30   
 72 ARG+
         HN     72 ARG+ HB2     2.50   
         HN     72 ARG+ HB3     3.30   
         HN     72 ARG+ HG2     6.00   
         HN     72 ARG+ HG3     5.20   
         HN     73 ASP- HN      2.80   
         HA     72 ARG+ HB3     2.90   
         HA     72 ARG+ HG3     3.90   
         HA     72 ARG+ HD2     6.00   
         HA     72 ARG+ HD3     6.00   
         HA     72 ARG+ QD      5.79   
         HA     75 PHE  QB      5.18   
         HA     75 PHE  QD      7.00   
         HB2    72 ARG+ HE      5.20   
         HB2    73 ASP- HN      4.20   
         HB2    75 PHE  QD      8.00   
         HB2    76 LYS+ QE      7.00   
         HB3    72 ARG+ HG2     2.50   
         HB3    72 ARG+ HE      5.10   
         HB3    73 ASP- HN      3.00   
         HB3    76 LYS+ QD      5.50   
         HG2    73 ASP- HN      6.00   
         HG2    76 LYS+ QD      7.00   
         HG3    73 ASP- HN      6.00   
         HG3    76 LYS+ QE      7.00   
         O      75 PHE  N       3.30   
         O      75 PHE  HN      2.40   
 73 ASP-
         HN     73 ASP- HB2     2.80   
         HN     73 ASP- HB3     3.00   
         HN     74 PHE  HN      2.90   
         HN     74 PHE  QB      6.68   
         HA     73 ASP- HB2     2.70   
         HA     76 LYS+ HN      4.20   
         HA     76 LYS+ HB2     3.80   
         HA     76 LYS+ HB3     5.00   
         HA     76 LYS+ QG      6.80   
         HA     76 LYS+ QD      7.00   
         HB2    74 PHE  HN      3.30   
         HB3    74 PHE  HN      3.40   
 74 PHE 
         HN     74 PHE  HB2     3.40   
         HN     74 PHE  HB3     3.40   
         HN     74 PHE  QB      2.90   
         HN     74 PHE  QE      6.90   
         HN     75 PHE  HN      2.90   
         HB2    75 PHE  HN      3.40   
         HB2    75 PHE  QD      8.00   
         HB3    75 PHE  HN      3.40   
         HB3    75 PHE  QD      8.00   
         QB     75 PHE  HN      3.18   
         QD     75 PHE  QD      10.00  
         QD     75 PHE  QE      9.50   
         QD     75 PHE  HZ      7.60   
         QD     76 LYS+ QE      9.00   
         QE     75 PHE  QE      10.00  
 75 PHE 
         HN     75 PHE  HB2     3.60   
         HN     75 PHE  HB3     3.60   
         HN     75 PHE  QB      3.29   
         HN     76 LYS+ HN      2.80   
         HN     76 LYS+ HB2     4.50   
         HA     75 PHE  QB      2.71   
         HA     76 LYS+ HN      3.10   
 76 LYS+
         HN     76 LYS+ HB2     3.20   
         HN     76 LYS+ HB3     3.00   
         HN     76 LYS+ QG      5.20   
         HN     76 LYS+ QD      6.40   
         HN     77 LYS+ HN      4.40   
         HA     76 LYS+ HB2     2.80   
         HA     76 LYS+ HG2     3.90   
         HA     76 LYS+ HG3     3.90   
         HA     76 LYS+ QG      3.65   
         HA     77 LYS+ HN      3.60   
         HB3    77 LYS+ HN      5.30   
         HB3    77 LYS+ QG      4.60   
         QG     77 LYS+ HN      7.00   
         QG     77 LYS+ HB2     7.00   
         QG     77 LYS+ HB3     7.00   
         QG     77 LYS+ QB      6.51   
         QD     77 LYS+ HN      7.00   
 77 LYS+
         HN     77 LYS+ HB2     3.50   
         HN     77 LYS+ HB3     3.50   
         HN     77 LYS+ QB      3.29   
         HN     77 LYS+ QG      5.60   


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1           HN1      ALA   1  -3.281  -4.371   8.255
    2   2H    ALA   1           HN2      ALA   1  -2.841  -3.539   9.587
    3   2H    ALA   1           HN3      ALA   1  -2.841  -3.539   9.587
    4    HA   ALA   1           HA       ALA   1  -1.197  -2.476   8.636
    5   1HB   ALA   1           HB1      ALA   1   0.134  -4.451   8.556
    6   2HB   ALA   1           HB2      ALA   1  -0.627  -4.974   7.032
    7   3HB   ALA   1           HB3      ALA   1   0.354  -3.475   7.077
    8    H    TYR   2           HN       TYR   2  -1.029  -1.196   6.732
    9    HA   TYR   2           HA       TYR   2  -3.424  -1.251   4.965
   10   1HB   TYR   2           HB2      TYR   2  -1.550   0.871   5.963
   11   2HB   TYR   2           HB3      TYR   2  -2.560   1.125   4.565
   12    HD1  TYR   2           HD2      TYR   2  -2.685   0.431   8.221
   13    HD2  TYR   2           HD1      TYR   2  -4.950   1.429   4.691
   14    HE1  TYR   2           HE2      TYR   2  -4.632   1.041   9.637
   15    HE2  TYR   2           HE1      TYR   2  -6.885   2.022   6.100
   16    HH   TYR   2           HOH      TYR   2  -7.492   2.642   8.287
   17    H    VAL   3           HN       VAL   3  -3.123  -2.066   3.006
   18    HA   VAL   3           HA       VAL   3  -0.345  -2.138   1.856
   19    HB   VAL   3           HB       VAL   3  -2.260  -4.398   1.522
   20   1HG1  VAL   3           HG13     VAL   3   0.777  -4.172   1.832
   21   2HG1  VAL   3           HG11     VAL   3  -0.092  -5.700   1.647
   22   3HG1  VAL   3           HG12     VAL   3  -0.119  -4.523   0.337
   23   1HG2  VAL   3           HG21     VAL   3  -0.776  -3.891   4.111
   24   2HG2  VAL   3           HG22     VAL   3  -2.504  -4.228   3.848
   25   3HG2  VAL   3           HG23     VAL   3  -1.308  -5.502   3.588
   26    H    ILE   4           HN       ILE   4  -0.261  -2.651  -0.409
   27    HA   ILE   4           HA       ILE   4  -1.888  -0.821  -1.797
   28    HB   ILE   4           HB       ILE   4   0.582  -1.966  -2.256
   29   1HG1  ILE   4           HG12     ILE   4   0.449  -1.341  -4.670
   30   2HG1  ILE   4           HG13     ILE   4  -1.295  -1.197  -4.578
   31   1HG2  ILE   4           HG23     ILE   4  -0.233  -4.162  -2.464
   32   2HG2  ILE   4           HG21     ILE   4  -1.111  -3.747  -3.972
   33   3HG2  ILE   4           HG22     ILE   4   0.635  -3.584  -3.909
   34   1HD1  ILE   4           HD1      ILE   4   0.681   0.514  -2.998
   35   2HD1  ILE   4           HD2      ILE   4  -0.116   0.988  -4.510
   36   3HD1  ILE   4           HD3      ILE   4  -1.081   0.749  -3.055
   37    H    THR   5           HN       THR   5  -3.193  -1.255  -3.734
   38    HA   THR   5           HA       THR   5  -4.005  -4.069  -4.120
   39    HB   THR   5           HB       THR   5  -6.289  -3.286  -4.814
   40    HG1  THR   5           HOG      THR   5  -5.668  -0.969  -3.253
   41   1HG2  THR   5           HG2      THR   5  -5.923  -4.429  -2.658
   42   2HG2  THR   5           HG3      THR   5  -5.704  -2.845  -1.875
   43   3HG2  THR   5           HG1      THR   5  -7.268  -3.276  -2.607
   44    H    GLU   6           HN       GLU   6  -5.315  -1.395  -5.775
   45    HA   GLU   6           HA       GLU   6  -4.120  -2.382  -8.311
   46   1HB   GLU   6           HB2      GLU   6  -5.739  -3.936  -7.611
   47   2HB   GLU   6           HB3      GLU   6  -6.902  -2.674  -7.364
   48   1HG   GLU   6           HG2      GLU   6  -7.643  -3.173  -9.426
   49   2HG   GLU   6           HG3      GLU   6  -6.234  -2.320 -10.065
   50    HA   PRO   7           HA       PRO   7  -6.759   1.512  -9.380
   51   1HB   PRO   7           HB2      PRO   7  -7.032   2.988  -6.823
   52   2HB   PRO   7           HB3      PRO   7  -8.206   2.745  -8.138
   53   1HG   PRO   7           HG2      PRO   7  -8.015   1.338  -5.630
   54   2HG   PRO   7           HG3      PRO   7  -9.142   0.988  -6.965
   55   1HD   PRO   7           HD2      PRO   7  -7.028  -0.654  -6.114
   56   2HD   PRO   7           HD3      PRO   7  -7.944  -0.784  -7.635
   57    H    CYS   8           HN       CYS   8  -4.123   1.497  -6.985
   58    HA   CYS   8           HA       CYS   8  -3.092   4.106  -7.664
   59   1HB   CYS   8           HB2      CYS   8  -2.555   3.076  -5.556
   60   2HB   CYS   8           HB3      CYS   8  -1.880   1.688  -6.384
   61    H    ILE   9           HN       ILE   9  -2.973   0.972  -9.307
   62    HA   ILE   9           HA       ILE   9  -0.535   0.887 -10.497
   63    HB   ILE   9           HB       ILE   9  -3.188   0.068 -11.558
   64   1HG1  ILE   9           HG12     ILE   9  -0.788  -1.459 -10.479
   65   2HG1  ILE   9           HG13     ILE   9  -2.148  -0.971  -9.471
   66   1HG2  ILE   9           HG22     ILE   9  -1.637   0.397 -13.522
   67   2HG2  ILE   9           HG23     ILE   9  -0.414  -0.596 -12.695
   68   3HG2  ILE   9           HG21     ILE   9  -1.949  -1.305 -13.225
   69   1HD1  ILE   9           HD2      ILE   9  -3.640  -2.264 -11.093
   70   2HD1  ILE   9           HD3      ILE   9  -2.128  -2.983 -11.716
   71   3HD1  ILE   9           HD1      ILE   9  -2.570  -3.183 -10.012
   72    H    GLY  10           HN       GLY  10   0.624   2.130 -11.692
   73   1HA   GLY  10           HA2      GLY  10   1.372   3.889 -12.952
   74   2HA   GLY  10           HA3      GLY  10   0.035   3.444 -14.019
   75    H    THR  11           HN       THR  11  -0.890   4.646 -10.869
   76    HA   THR  11           HA       THR  11  -1.957   7.098 -12.186
   77    HB   THR  11           HB       THR  11  -2.917   5.617  -9.722
   78    HG1  THR  11           HOG      THR  11  -3.179   4.435 -11.694
   79   1HG2  THR  11           HG2      THR  11  -3.479   8.175 -10.086
   80   2HG2  THR  11           HG3      THR  11  -4.494   7.576 -11.413
   81   3HG2  THR  11           HG1      THR  11  -4.787   7.030  -9.751
   82    H    LYS  12           HN       LYS  12  -0.321   8.513 -11.918
   83    HA   LYS  12           HA       LYS  12   0.862  10.141 -11.013
   84   1HB   LYS  12           HB2      LYS  12   0.042  11.385  -9.237
   85   2HB   LYS  12           HB3      LYS  12  -1.362  10.730 -10.054
   86   1HG   LYS  12           HG2      LYS  12  -1.952   9.339  -8.268
   87   2HG   LYS  12           HG3      LYS  12  -0.312   9.209  -7.661
   88   1HD   LYS  12           HD2      LYS  12  -0.481  11.735  -7.064
   89   2HD   LYS  12           HD3      LYS  12  -2.207  11.573  -7.418
   90   1HE   LYS  12           HE2      LYS  12  -1.859  11.306  -5.032
   91   2HE   LYS  12           HE3      LYS  12  -2.315   9.721  -5.680
   92   1HZ   LYS  12           HNZ2     LYS  12   0.505  10.526  -5.180
   93   2HZ   LYS  12           HNZ3     LYS  12  -0.404   9.758  -4.105
   94   3HZ   LYS  12           HNZ1     LYS  12  -0.047   9.031  -5.525
   95    H    ASP  13           HN       ASP  13   1.536  10.593  -8.167
   96    HA   ASP  13           HA       ASP  13   3.360   8.469  -7.416
   97   1HB   ASP  13           HB2      ASP  13   4.579   9.627  -9.253
   98   2HB   ASP  13           HB3      ASP  13   4.278  11.195  -8.484
   99    H    ALA  14           HN       ALA  14   4.630   9.456  -5.495
  100    HA   ALA  14           HA       ALA  14   4.696  10.338  -3.414
  101   1HB   ALA  14           HB2      ALA  14   5.046  12.259  -5.045
  102   2HB   ALA  14           HB3      ALA  14   3.389  12.775  -4.662
  103   3HB   ALA  14           HB1      ALA  14   4.630  12.715  -3.392
  104    H    SER  15           HN       SER  15   3.291  12.036  -1.851
  105    HA   SER  15           HA       SER  15   1.662  12.231  -0.399
  106   1HB   SER  15           HB2      SER  15  -0.584  12.472  -1.071
  107   2HB   SER  15           HB3      SER  15   0.406  13.070  -2.413
  108    HG   SER  15           HOG      SER  15  -0.780  10.488  -2.174
  109    H    CYS  16           HN       CYS  16   2.995   9.866  -0.287
  110    HA   CYS  16           HA       CYS  16   1.382   8.361   1.450
  111   1HB   CYS  16           HB2      CYS  16   1.328   6.205   0.420
  112   2HB   CYS  16           HB3      CYS  16   0.286   7.371  -0.380
  113    H    VAL  17           HN       VAL  17   4.099   7.952  -0.834
  114    HA   VAL  17           HA       VAL  17   5.748   6.406   0.780
  115    HB   VAL  17           HB       VAL  17   6.109   6.754  -1.585
  116   1HG1  VAL  17           HG13     VAL  17   5.620   9.202  -1.709
  117   2HG1  VAL  17           HG11     VAL  17   7.185   9.540  -0.952
  118   3HG1  VAL  17           HG12     VAL  17   7.119   8.744  -2.532
  119   1HG2  VAL  17           HG23     VAL  17   8.021   6.108   0.040
  120   2HG2  VAL  17           HG21     VAL  17   8.448   6.622  -1.602
  121   3HG2  VAL  17           HG22     VAL  17   8.637   7.748  -0.243
  122    H    GLU  18           HN       GLU  18   5.457   9.924   0.779
  123    HA   GLU  18           HA       GLU  18   7.754  10.308   2.502
  124   1HB   GLU  18           HB2      GLU  18   7.203  12.650   2.341
  125   2HB   GLU  18           HB3      GLU  18   7.297  11.907   0.740
  126   1HG   GLU  18           HG2      GLU  18   4.686  12.465   2.185
  127   2HG   GLU  18           HG3      GLU  18   5.501  13.659   1.187
  128    H    VAL  19           HN       VAL  19   4.400   9.615   3.129
  129    HA   VAL  19           HA       VAL  19   4.399  11.211   5.603
  130    HB   VAL  19           HB       VAL  19   2.146  10.752   5.841
  131   1HG1  VAL  19           HG11     VAL  19   2.794  12.378   4.058
  132   2HG1  VAL  19           HG12     VAL  19   2.615  11.092   2.844
  133   3HG1  VAL  19           HG13     VAL  19   1.211  11.629   3.780
  134   1HG2  VAL  19           HG22     VAL  19   2.183   8.258   5.173
  135   2HG2  VAL  19           HG23     VAL  19   0.787   9.229   4.703
  136   3HG2  VAL  19           HG21     VAL  19   2.017   8.838   3.509
  137    H    CYS  20           HN       CYS  20   5.132   7.911   4.765
  138    HA   CYS  20           HA       CYS  20   3.895   6.783   7.002
  139   1HB   CYS  20           HB2      CYS  20   4.240   5.616   4.938
  140   2HB   CYS  20           HB3      CYS  20   5.990   5.702   5.168
  141    HA   PRO  21           HA       PRO  21   7.000   7.766  10.048
  142   1HB   PRO  21           HB2      PRO  21   6.065   6.276  12.185
  143   2HB   PRO  21           HB3      PRO  21   5.333   7.804  11.633
  144   1HG   PRO  21           HG2      PRO  21   4.465   4.988  10.965
  145   2HG   PRO  21           HG3      PRO  21   3.443   6.368  11.468
  146   1HD   PRO  21           HD2      PRO  21   3.725   5.660   8.883
  147   2HD   PRO  21           HD3      PRO  21   3.623   7.389   9.332
  148    H    VAL  22           HN       VAL  22   6.578   4.593   8.723
  149    HA   VAL  22           HA       VAL  22   9.207   3.761   9.883
  150    HB   VAL  22           HB       VAL  22   8.384   1.425   9.762
  151   1HG1  VAL  22           HG11     VAL  22   8.393   2.707  11.884
  152   2HG1  VAL  22           HG12     VAL  22   6.713   3.201  11.586
  153   3HG1  VAL  22           HG13     VAL  22   7.110   1.488  11.823
  154   1HG2  VAL  22           HG23     VAL  22   6.504   1.753   8.148
  155   2HG2  VAL  22           HG21     VAL  22   5.987   0.948   9.638
  156   3HG2  VAL  22           HG22     VAL  22   5.613   2.658   9.390
  157    H    ASP  23           HN       ASP  23   8.254   5.198   7.319
  158    HA   ASP  23           HA       ASP  23   8.892   5.275   5.156
  159   1HB   ASP  23           HB2      ASP  23  11.314   3.847   6.333
  160   2HB   ASP  23           HB3      ASP  23  11.288   4.813   4.856
  161    H    CYS  24           HN       CYS  24   7.397   2.687   5.769
  162    HA   CYS  24           HA       CYS  24   8.940   0.689   4.291
  163   1HB   CYS  24           HB2      CYS  24   7.505  -0.939   5.129
  164   2HB   CYS  24           HB3      CYS  24   7.854   0.180   6.455
  165    HG   CYS  24           HSG      CYS  24   5.271  -0.960   5.976
  166    H    ILE  25           HN       ILE  25   7.407   2.997   2.913
  167    HA   ILE  25           HA       ILE  25   5.850   1.430   0.947
  168    HB   ILE  25           HB       ILE  25   6.486   4.386   1.179
  169   1HG1  ILE  25           HG12     ILE  25   4.072   4.709   1.251
  170   2HG1  ILE  25           HG13     ILE  25   3.781   2.984   1.076
  171   1HG2  ILE  25           HG21     ILE  25   5.084   2.872  -1.068
  172   2HG2  ILE  25           HG22     ILE  25   5.026   4.630  -0.879
  173   3HG2  ILE  25           HG23     ILE  25   6.567   3.839  -1.212
  174   1HD1  ILE  25           HD2      ILE  25   5.283   4.199   3.403
  175   2HD1  ILE  25           HD3      ILE  25   3.519   3.943   3.398
  176   3HD1  ILE  25           HD1      ILE  25   4.607   2.552   3.310
  177    H    HIS  26           HN       HIS  26   6.923   0.518  -0.743
  178    HA   HIS  26           HA       HIS  26   9.635   1.457  -1.533
  179   1HB   HIS  26           HB2      HIS  26   8.516  -1.310  -1.122
  180   2HB   HIS  26           HB3      HIS  26  10.138  -0.946  -1.691
  181    HD1  HIS  26           HND      HIS  26  11.209   0.956   0.537
  182    HD2  HIS  26           HD       HIS  26   8.532  -2.206   1.222
  183    HE1  HIS  26           HE       HIS  26  11.426   0.355   3.013
  184    H    GLU  27           HN       GLU  27  10.060   0.244  -3.759
  185    HA   GLU  27           HA       GLU  27   7.732   0.874  -5.384
  186   1HB   GLU  27           HB2      GLU  27  10.436   0.038  -6.457
  187   2HB   GLU  27           HB3      GLU  27   9.174   1.082  -7.131
  188   1HG   GLU  27           HG2      GLU  27  10.768   2.574  -6.536
  189   2HG   GLU  27           HG3      GLU  27   9.784   2.636  -5.068
  190    H    GLY  28           HN       GLY  28   6.719  -0.439  -6.911
  191   1HA   GLY  28           HA2      GLY  28   7.433  -3.348  -7.056
  192   2HA   GLY  28           HA3      GLY  28   5.837  -2.630  -7.360
  193    H    GLU  29           HN       GLU  29   6.388  -3.896  -9.442
  194    HA   GLU  29           HA       GLU  29   8.162  -3.046 -11.384
  195   1HB   GLU  29           HB2      GLU  29   5.294  -4.142 -11.570
  196   2HB   GLU  29           HB3      GLU  29   6.427  -3.994 -12.896
  197   1HG   GLU  29           HG2      GLU  29   6.765  -6.194 -12.311
  198   2HG   GLU  29           HG3      GLU  29   8.037  -5.440 -11.349
  199    H    ASP  30           HN       ASP  30   4.751  -2.095 -11.030
  200    HA   ASP  30           HA       ASP  30   5.147   0.314 -12.748
  201   1HB   ASP  30           HB2      ASP  30   3.490  -1.176 -13.610
  202   2HB   ASP  30           HB3      ASP  30   2.713  -1.404 -12.038
  203    H    GLN  31           HN       GLN  31   3.042  -0.626 -10.077
  204    HA   GLN  31           HA       GLN  31   3.099   2.102  -8.964
  205   1HB   GLN  31           HB2      GLN  31   1.389   1.118  -7.346
  206   2HB   GLN  31           HB3      GLN  31   0.935   1.247  -9.033
  207   1HG   GLN  31           HG2      GLN  31   1.219  -1.127  -9.394
  208   2HG   GLN  31           HG3      GLN  31   2.096  -1.273  -7.867
  209   1HE2  GLN  31           HNE2     GLN  31  -1.227  -2.718  -7.123
  210   2HE2  GLN  31           HNE1     GLN  31   0.237  -3.161  -7.991
  211    H    TYR  32           HN       TYR  32   3.114   2.260  -6.499
  212    HA   TYR  32           HA       TYR  32   5.547   0.990  -5.451
  213   1HB   TYR  32           HB2      TYR  32   3.512   2.801  -4.099
  214   2HB   TYR  32           HB3      TYR  32   5.020   2.155  -3.448
  215    HD1  TYR  32           HD1      TYR  32   7.232   2.944  -4.275
  216    HD2  TYR  32           HD2      TYR  32   3.539   4.778  -5.540
  217    HE1  TYR  32           HE1      TYR  32   8.476   4.956  -4.993
  218    HE2  TYR  32           HE2      TYR  32   4.784   6.800  -6.220
  219    HH   TYR  32           HOH      TYR  32   6.852   7.864  -6.269
  220    H    TYR  33           HN       TYR  33   5.469  -0.061  -3.388
  221    HA   TYR  33           HA       TYR  33   2.990  -1.522  -2.607
  222   1HB   TYR  33           HB2      TYR  33   5.862  -2.503  -2.644
  223   2HB   TYR  33           HB3      TYR  33   4.570  -3.425  -1.984
  224    HD1  TYR  33           HD2      TYR  33   2.575  -2.525  -4.396
  225    HD2  TYR  33           HD1      TYR  33   6.418  -4.465  -4.114
  226    HE1  TYR  33           HE2      TYR  33   2.334  -3.286  -6.650
  227    HE2  TYR  33           HE1      TYR  33   5.999  -5.520  -6.302
  228    HH   TYR  33           HOH      TYR  33   4.528  -5.013  -8.433
  229    H    ILE  34           HN       ILE  34   3.438  -2.467  -0.380
  230    HA   ILE  34           HA       ILE  34   4.938  -0.612   1.394
  231    HB   ILE  34           HB       ILE  34   2.036  -1.503   1.739
  232   1HG1  ILE  34           HG12     ILE  34   2.242   1.318   2.007
  233   2HG1  ILE  34           HG13     ILE  34   3.254   0.913   0.622
  234   1HG2  ILE  34           HG21     ILE  34   3.785   0.124   3.605
  235   2HG2  ILE  34           HG22     ILE  34   2.054  -0.168   3.823
  236   3HG2  ILE  34           HG23     ILE  34   3.169  -1.508   3.946
  237   1HD1  ILE  34           HD2      ILE  34   1.251  -0.472  -0.244
  238   2HD1  ILE  34           HD3      ILE  34   0.307   0.366   1.013
  239   3HD1  ILE  34           HD1      ILE  34   1.117   1.297  -0.271
  240    H    ASP  35           HN       ASP  35   6.143  -1.917   2.912
  241    HA   ASP  35           HA       ASP  35   5.574  -4.750   2.954
  242   1HB   ASP  35           HB2      ASP  35   7.857  -4.012   3.443
  243   2HB   ASP  35           HB3      ASP  35   7.283  -3.273   4.940
  244    HA   PRO  36           HA       PRO  36   2.179  -3.824   5.731
  245   1HB   PRO  36           HB2      PRO  36   0.869  -6.205   5.751
  246   2HB   PRO  36           HB3      PRO  36   0.999  -5.221   4.258
  247   1HG   PRO  36           HG2      PRO  36   2.736  -7.558   5.057
  248   2HG   PRO  36           HG3      PRO  36   1.859  -7.300   3.513
  249   1HD   PRO  36           HD2      PRO  36   4.507  -6.618   3.869
  250   2HD   PRO  36           HD3      PRO  36   3.402  -5.710   2.803
  251    H    ASP  37           HN       ASP  37   4.804  -6.228   6.404
  252    HA   ASP  37           HA       ASP  37   3.669  -7.085   8.913
  253   1HB   ASP  37           HB2      ASP  37   6.186  -7.482   7.477
  254   2HB   ASP  37           HB3      ASP  37   5.710  -8.288   8.927
  255    H    VAL  38           HN       VAL  38   5.950  -4.790   7.482
  256    HA   VAL  38           HA       VAL  38   7.016  -3.800  10.011
  257    HB   VAL  38           HB       VAL  38   7.063  -2.815   7.140
  258   1HG1  VAL  38           HG12     VAL  38   8.219  -1.515   9.628
  259   2HG1  VAL  38           HG13     VAL  38   8.804  -1.176   7.989
  260   3HG1  VAL  38           HG11     VAL  38   7.114  -0.820   8.410
  261   1HG2  VAL  38           HG23     VAL  38   8.456  -4.819   7.691
  262   2HG2  VAL  38           HG21     VAL  38   9.445  -3.412   7.276
  263   3HG2  VAL  38           HG22     VAL  38   9.254  -3.891   8.976
  264    H    CYS  39           HN       CYS  39   4.477  -2.694   7.678
  265    HA   CYS  39           HA       CYS  39   3.961  -0.195   8.749
  266   1HB   CYS  39           HB2      CYS  39   2.907  -1.063   6.725
  267   2HB   CYS  39           HB3      CYS  39   2.068  -2.237   7.701
  268    H    ILE  40           HN       ILE  40   3.257   0.568  10.654
  269    HA   ILE  40           HA       ILE  40   2.454  -1.323  12.748
  270    HB   ILE  40           HB       ILE  40   2.871   0.517  14.258
  271   1HG1  ILE  40           HG12     ILE  40   4.256   2.444  12.723
  272   2HG1  ILE  40           HG13     ILE  40   2.752   2.199  11.835
  273   1HG2  ILE  40           HG22     ILE  40   4.680  -0.992  13.544
  274   2HG2  ILE  40           HG23     ILE  40   5.115   0.139  12.247
  275   3HG2  ILE  40           HG21     ILE  40   5.272   0.628  13.945
  276   1HD1  ILE  40           HD2      ILE  40   2.944   2.797  14.815
  277   2HD1  ILE  40           HD3      ILE  40   2.578   3.979  13.545
  278   3HD1  ILE  40           HD1      ILE  40   1.449   2.640  13.855
  279    H    ASP  41           HN       ASP  41   0.518  -0.459  10.583
  280    HA   ASP  41           HA       ASP  41  -1.665   0.085  10.313
  281   1HB   ASP  41           HB2      ASP  41  -1.627  -1.405  12.935
  282   2HB   ASP  41           HB3      ASP  41  -3.135  -0.636  12.443
  283    H    CYS  42           HN       CYS  42  -0.205   2.210  10.767
  284    HA   CYS  42           HA       CYS  42  -1.327   3.882  12.834
  285   1HB   CYS  42           HB2      CYS  42   0.292   5.316  12.356
  286   2HB   CYS  42           HB3      CYS  42   1.058   3.838  11.777
  287    H    GLY  43           HN       GLY  43  -2.245   3.225   9.553
  288   1HA   GLY  43           HA2      GLY  43  -3.833   4.164   8.168
  289   2HA   GLY  43           HA3      GLY  43  -4.309   5.294   9.446
  290    H    ALA  44           HN       ALA  44  -3.850   7.351   8.863
  291    HA   ALA  44           HA       ALA  44  -2.932   9.206   7.991
  292   1HB   ALA  44           HB1      ALA  44  -0.299   7.694   8.236
  293   2HB   ALA  44           HB2      ALA  44  -0.464   9.405   7.824
  294   3HB   ALA  44           HB3      ALA  44  -1.033   8.816   9.397
  295    H    CYS  45           HN       CYS  45  -1.004   6.705   6.289
  296    HA   CYS  45           HA       CYS  45  -0.976   7.897   3.734
  297   1HB   CYS  45           HB2      CYS  45  -0.424   5.733   2.908
  298   2HB   CYS  45           HB3      CYS  45   0.507   6.133   4.332
  299    H    GLU  46           HN       GLU  46  -3.167   5.480   5.067
  300    HA   GLU  46           HA       GLU  46  -5.293   5.097   3.473
  301   1HB   GLU  46           HB2      GLU  46  -5.114   4.402   5.810
  302   2HB   GLU  46           HB3      GLU  46  -5.221   6.079   6.356
  303   1HG   GLU  46           HG2      GLU  46  -7.579   6.181   5.546
  304   2HG   GLU  46           HG3      GLU  46  -7.454   4.484   5.045
  305    H    ALA  47           HN       ALA  47  -4.797   8.196   5.262
  306    HA   ALA  47           HA       ALA  47  -7.378   9.204   4.433
  307   1HB   ALA  47           HB1      ALA  47  -6.099   9.687   6.627
  308   2HB   ALA  47           HB2      ALA  47  -5.149  10.847   5.673
  309   3HB   ALA  47           HB3      ALA  47  -6.907  11.045   5.820
  310    H    VAL  48           HN       VAL  48  -4.006   9.661   3.410
  311    HA   VAL  48           HA       VAL  48  -4.742  11.921   1.651
  312    HB   VAL  48           HB       VAL  48  -2.333  11.968   1.094
  313   1HG1  VAL  48           HG13     VAL  48  -3.321  13.392   2.855
  314   2HG1  VAL  48           HG11     VAL  48  -3.011  12.128   4.064
  315   3HG1  VAL  48           HG12     VAL  48  -1.655  12.933   3.249
  316   1HG2  VAL  48           HG21     VAL  48  -1.792   9.557   1.658
  317   2HG2  VAL  48           HG22     VAL  48  -0.707  10.752   2.381
  318   3HG2  VAL  48           HG23     VAL  48  -1.956   9.989   3.374
  319    H    CYS  49           HN       CYS  49  -3.993   8.442   1.334
  320    HA   CYS  49           HA       CYS  49  -3.489   8.480  -1.409
  321   1HB   CYS  49           HB2      CYS  49  -3.073   6.552   0.091
  322   2HB   CYS  49           HB3      CYS  49  -4.795   6.312   0.198
  323    HA   PRO  50           HA       PRO  50  -7.527   9.752  -2.864
  324   1HB   PRO  50           HB2      PRO  50  -6.986   8.346  -5.427
  325   2HB   PRO  50           HB3      PRO  50  -7.353  10.063  -5.128
  326   1HG   PRO  50           HG2      PRO  50  -4.815   8.999  -5.728
  327   2HG   PRO  50           HG3      PRO  50  -5.109  10.588  -4.964
  328   1HD   PRO  50           HD2      PRO  50  -4.089   8.103  -3.749
  329   2HD   PRO  50           HD3      PRO  50  -4.017   9.782  -3.142
  330    H    VAL  51           HN       VAL  51  -9.286   8.715  -2.134
  331    HA   VAL  51           HA       VAL  51 -10.843   7.182  -1.682
  332    HB   VAL  51           HB       VAL  51 -10.051   5.557  -4.116
  333   1HG1  VAL  51           HG13     VAL  51 -12.752   6.376  -2.944
  334   2HG1  VAL  51           HG11     VAL  51 -12.504   5.349  -4.367
  335   3HG1  VAL  51           HG12     VAL  51 -12.016   4.772  -2.778
  336   1HG2  VAL  51           HG23     VAL  51 -11.445   8.270  -4.125
  337   2HG2  VAL  51           HG21     VAL  51  -9.947   7.834  -4.980
  338   3HG2  VAL  51           HG22     VAL  51 -11.474   7.124  -5.480
  339    H    SER  52           HN       SER  52  -7.941   6.774  -0.777
  340    HA   SER  52           HA       SER  52  -6.700   5.289   0.362
  341   1HB   SER  52           HB2      SER  52  -8.692   5.433   1.764
  342   2HB   SER  52           HB3      SER  52  -9.326   3.949   1.005
  343    HG   SER  52           HOG      SER  52  -7.205   3.027   1.744
  344    H    ALA  53           HN       ALA  53  -6.398   4.768  -2.263
  345    HA   ALA  53           HA       ALA  53  -7.102   2.151  -3.166
  346   1HB   ALA  53           HB2      ALA  53  -6.118   3.938  -4.616
  347   2HB   ALA  53           HB3      ALA  53  -4.548   3.675  -3.828
  348   3HB   ALA  53           HB1      ALA  53  -5.292   2.371  -4.761
  349    H    ILE  54           HN       ILE  54  -4.537   3.326  -1.052
  350    HA   ILE  54           HA       ILE  54  -3.423   0.728  -0.400
  351    HB   ILE  54           HB       ILE  54  -3.422   3.457   0.966
  352   1HG1  ILE  54           HG12     ILE  54  -1.154   1.866  -0.278
  353   2HG1  ILE  54           HG13     ILE  54  -2.075   3.082  -1.159
  354   1HG2  ILE  54           HG22     ILE  54  -2.484   0.737   1.886
  355   2HG2  ILE  54           HG23     ILE  54  -1.551   2.149   2.376
  356   3HG2  ILE  54           HG21     ILE  54  -3.270   2.065   2.777
  357   1HD1  ILE  54           HD1      ILE  54  -0.680   3.836   1.440
  358   2HD1  ILE  54           HD2      ILE  54   0.138   3.860  -0.121
  359   3HD1  ILE  54           HD3      ILE  54  -1.290   4.876   0.150
  360    H    TYR  55           HN       TYR  55  -4.774  -0.790   0.477
  361    HA   TYR  55           HA       TYR  55  -6.974   0.050   2.314
  362   1HB   TYR  55           HB2      TYR  55  -6.942  -1.998   0.147
  363   2HB   TYR  55           HB3      TYR  55  -8.118  -2.067   1.462
  364    HD1  TYR  55           HD2      TYR  55  -9.391   0.309   1.868
  365    HD2  TYR  55           HD1      TYR  55  -7.765  -1.125  -1.862
  366    HE1  TYR  55           HE2      TYR  55 -10.953   1.768   0.614
  367    HE2  TYR  55           HE1      TYR  55  -9.395   0.257  -3.102
  368    HH   TYR  55           HOH      TYR  55 -10.831   2.918  -1.749
  369    H    HIS  56           HN       HIS  56  -7.433  -1.273   4.032
  370    HA   HIS  56           HA       HIS  56  -5.124  -2.423   5.194
  371   1HB   HIS  56           HB2      HIS  56  -6.983  -1.382   6.441
  372   2HB   HIS  56           HB3      HIS  56  -8.070  -2.674   5.929
  373    HD1  HIS  56           HND      HIS  56  -7.853  -5.020   7.250
  374    HD2  HIS  56           HD       HIS  56  -4.876  -2.165   8.057
  375    HE1  HIS  56           HE       HIS  56  -6.230  -6.105   8.895
  376    H    GLU  57           HN       GLU  57  -4.440  -4.566   5.443
  377    HA   GLU  57           HA       GLU  57  -4.722  -5.973   3.165
  378   1HB   GLU  57           HB2      GLU  57  -3.228  -7.440   3.965
  379   2HB   GLU  57           HB3      GLU  57  -2.916  -6.112   5.066
  380   1HG   GLU  57           HG2      GLU  57  -3.445  -7.228   6.872
  381   2HG   GLU  57           HG3      GLU  57  -4.777  -8.146   6.159
  382    H    ASP  58           HN       ASP  58  -6.960  -6.311   5.743
  383    HA   ASP  58           HA       ASP  58  -8.134  -8.724   4.511
  384   1HB   ASP  58           HB2      ASP  58  -7.476  -8.067   7.215
  385   2HB   ASP  58           HB3      ASP  58  -9.233  -7.977   7.104
  386    H    PHE  59           HN       PHE  59  -8.635  -5.307   4.656
  387    HA   PHE  59           HA       PHE  59 -11.502  -5.401   4.090
  388   1HB   PHE  59           HB2      PHE  59  -9.251  -3.365   3.874
  389   2HB   PHE  59           HB3      PHE  59 -10.842  -3.139   3.254
  390    HD1  PHE  59           HD2      PHE  59 -10.986  -4.906   6.433
  391    HD2  PHE  59           HD1      PHE  59 -10.592  -0.996   4.626
  392    HE1  PHE  59           HE2      PHE  59 -11.464  -3.846   8.602
  393    HE2  PHE  59           HE1      PHE  59 -11.092   0.051   6.811
  394    HZ   PHE  59           HZ       PHE  59 -11.513  -1.368   8.807
  395    H    VAL  60           HN       VAL  60  -8.273  -5.285   2.632
  396    HA   VAL  60           HA       VAL  60  -8.773  -5.137  -0.061
  397    HB   VAL  60           HB       VAL  60  -6.646  -6.345   1.687
  398   1HG1  VAL  60           HG11     VAL  60  -6.782  -6.858  -1.306
  399   2HG1  VAL  60           HG12     VAL  60  -5.340  -7.023  -0.288
  400   3HG1  VAL  60           HG13     VAL  60  -6.716  -8.089  -0.022
  401   1HG2  VAL  60           HG22     VAL  60  -6.868  -4.420  -0.606
  402   2HG2  VAL  60           HG23     VAL  60  -6.757  -3.995   1.128
  403   3HG2  VAL  60           HG21     VAL  60  -5.362  -4.695   0.297
  404    HA   PRO  61           HA       PRO  61 -11.364  -8.737  -0.603
  405   1HB   PRO  61           HB2      PRO  61 -10.961  -8.889  -3.442
  406   2HB   PRO  61           HB3      PRO  61 -12.316  -8.132  -2.575
  407   1HG   PRO  61           HG2      PRO  61 -10.034  -6.860  -3.926
  408   2HG   PRO  61           HG3      PRO  61 -11.548  -6.117  -3.352
  409   1HD   PRO  61           HD2      PRO  61  -8.969  -5.874  -2.139
  410   2HD   PRO  61           HD3      PRO  61 -10.544  -5.386  -1.442
  411    H    GLU  62           HN       GLU  62 -11.022 -10.991  -0.939
  412    HA   GLU  62           HA       GLU  62  -8.559 -12.068  -0.487
  413   1HB   GLU  62           HB2      GLU  62 -10.712 -13.229  -0.267
  414   2HB   GLU  62           HB3      GLU  62 -10.837 -13.399  -2.029
  415   1HG   GLU  62           HG2      GLU  62  -8.902 -14.861  -2.051
  416   2HG   GLU  62           HG3      GLU  62  -8.504 -14.426  -0.375
  417    H    GLU  63           HN       GLU  63 -10.097 -11.581  -3.641
  418    HA   GLU  63           HA       GLU  63  -8.274 -12.446  -5.494
  419   1HB   GLU  63           HB2      GLU  63 -10.387 -11.456  -6.044
  420   2HB   GLU  63           HB3      GLU  63  -9.908  -9.862  -5.439
  421   1HG   GLU  63           HG2      GLU  63  -8.437  -9.458  -7.211
  422   2HG   GLU  63           HG3      GLU  63  -8.309 -11.171  -7.651
  423    H    TRP  64           HN       TRP  64  -8.058  -9.370  -3.645
  424    HA   TRP  64           HA       TRP  64  -5.374  -8.867  -4.827
  425   1HB   TRP  64           HB2      TRP  64  -7.347  -7.029  -3.478
  426   2HB   TRP  64           HB3      TRP  64  -5.713  -6.558  -3.935
  427    HD1  TRP  64           HD       TRP  64  -6.058  -8.307  -6.823
  428    HE1  TRP  64           HNE      TRP  64  -7.295  -7.176  -8.738
  429    HE3  TRP  64           HE       TRP  64  -8.496  -4.639  -4.185
  430    HZ2  TRP  64           HZ1      TRP  64  -9.205  -5.089  -9.090
  431    HZ3  TRP  64           HZ2      TRP  64  -9.919  -3.007  -5.397
  432    HH2  TRP  64           HH       TRP  64 -10.322  -3.263  -7.835
  433    H    LYS  65           HN       LYS  65  -6.564 -10.347  -2.071
  434    HA   LYS  65           HA       LYS  65  -4.338  -9.627  -0.361
  435   1HB   LYS  65           HB2      LYS  65  -5.909 -12.223  -0.511
  436   2HB   LYS  65           HB3      LYS  65  -4.579 -11.915   0.594
  437   1HG   LYS  65           HG2      LYS  65  -5.854  -9.834   1.408
  438   2HG   LYS  65           HG3      LYS  65  -7.218 -10.413   0.458
  439   1HD   LYS  65           HD2      LYS  65  -7.672 -11.267   2.613
  440   2HD   LYS  65           HD3      LYS  65  -6.978 -12.639   1.751
  441   1HE   LYS  65           HE2      LYS  65  -5.871 -12.682   3.845
  442   2HE   LYS  65           HE3      LYS  65  -4.688 -11.894   2.800
  443   1HZ   LYS  65           HNZ2     LYS  65  -5.749  -9.753   3.684
  444   2HZ   LYS  65           HNZ3     LYS  65  -6.407 -10.689   4.855
  445   3HZ   LYS  65           HNZ1     LYS  65  -4.772 -10.586   4.690
  446    H    SER  66           HN       SER  66  -4.600 -11.544  -3.323
  447    HA   SER  66           HA       SER  66  -2.101 -12.733  -3.472
  448   1HB   SER  66           HB2      SER  66  -3.407 -11.047  -5.657
  449   2HB   SER  66           HB3      SER  66  -2.252 -12.379  -5.858
  450    HG   SER  66           HOG      SER  66  -4.960 -12.438  -5.354
  451    H    TYR  67           HN       TYR  67  -2.865  -9.201  -3.910
  452    HA   TYR  67           HA       TYR  67  -0.116  -8.514  -4.563
  453   1HB   TYR  67           HB2      TYR  67  -2.537  -6.885  -3.607
  454   2HB   TYR  67           HB3      TYR  67  -0.944  -6.202  -3.722
  455    HD1  TYR  67           HD1      TYR  67   0.277  -6.459  -6.068
  456    HD2  TYR  67           HD2      TYR  67  -3.980  -6.783  -5.485
  457    HE1  TYR  67           HE1      TYR  67  -0.100  -5.954  -8.472
  458    HE2  TYR  67           HE2      TYR  67  -4.350  -6.210  -7.867
  459    HH   TYR  67           HOH      TYR  67  -3.338  -5.417  -9.810
  460    H    ILE  68           HN       ILE  68  -2.043  -8.684  -1.493
  461    HA   ILE  68           HA       ILE  68  -0.124  -7.245  -0.034
  462    HB   ILE  68           HB       ILE  68  -2.248  -9.338   0.604
  463   1HG1  ILE  68           HG12     ILE  68  -3.626  -7.680   1.275
  464   2HG1  ILE  68           HG13     ILE  68  -2.322  -6.648   1.848
  465   1HG2  ILE  68           HG21     ILE  68  -0.563  -9.724   2.295
  466   2HG2  ILE  68           HG22     ILE  68  -0.547  -7.996   2.708
  467   3HG2  ILE  68           HG23     ILE  68  -2.002  -8.992   2.977
  468   1HD1  ILE  68           HD3      ILE  68  -1.828  -5.945  -0.500
  469   2HD1  ILE  68           HD1      ILE  68  -3.172  -6.959  -1.051
  470   3HD1  ILE  68           HD2      ILE  68  -3.463  -5.591   0.008
  471    H    GLN  69           HN       GLN  69  -0.611 -10.723  -0.634
  472    HA   GLN  69           HA       GLN  69   1.733 -11.641   0.706
  473   1HB   GLN  69           HB2      GLN  69  -0.246 -12.731  -1.259
  474   2HB   GLN  69           HB3      GLN  69   1.300 -13.550  -1.099
  475   1HG   GLN  69           HG2      GLN  69  -0.505 -14.419   0.455
  476   2HG   GLN  69           HG3      GLN  69   1.026 -13.979   1.211
  477   1HE2  GLN  69           HNE2     GLN  69  -2.240 -11.551   1.986
  478   2HE2  GLN  69           HNE1     GLN  69  -2.070 -12.224   0.375
  479    H    LYS  70           HN       LYS  70   1.235 -10.379  -2.621
  480    HA   LYS  70           HA       LYS  70   3.911 -10.857  -3.444
  481   1HB   LYS  70           HB2      LYS  70   1.821 -10.062  -4.831
  482   2HB   LYS  70           HB3      LYS  70   2.248  -8.451  -4.284
  483   1HG   LYS  70           HG2      LYS  70   4.412  -8.516  -5.326
  484   2HG   LYS  70           HG3      LYS  70   4.186 -10.203  -5.819
  485   1HD   LYS  70           HD2      LYS  70   2.129  -9.509  -7.110
  486   2HD   LYS  70           HD3      LYS  70   2.489  -7.818  -6.741
  487   1HE   LYS  70           HE2      LYS  70   4.336  -9.746  -8.250
  488   2HE   LYS  70           HE3      LYS  70   3.264  -8.565  -9.015
  489   1HZ   LYS  70           HNZ1     LYS  70   5.466  -7.829  -7.190
  490   2HZ   LYS  70           HNZ2     LYS  70   5.511  -7.769  -8.826
  491   3HZ   LYS  70           HNZ3     LYS  70   4.493  -6.799  -8.031
  492    H    ASN  71           HN       ASN  71   2.534  -7.829  -1.917
  493    HA   ASN  71           HA       ASN  71   4.979  -6.453  -1.819
  494   1HB   ASN  71           HB2      ASN  71   2.552  -6.517   0.048
  495   2HB   ASN  71           HB3      ASN  71   3.897  -5.397   0.224
  496   1HD2  ASN  71           HND2     ASN  71   2.039  -4.654  -3.327
  497   2HD2  ASN  71           HND1     ASN  71   2.623  -6.262  -3.004
  498    H    ARG  72           HN       ARG  72   3.574  -8.872   0.487
  499    HA   ARG  72           HA       ARG  72   5.715  -8.815   2.323
  500   1HB   ARG  72           HB2      ARG  72   3.625 -10.785   1.403
  501   2HB   ARG  72           HB3      ARG  72   4.987 -11.396   2.318
  502   1HG   ARG  72           HG2      ARG  72   4.548  -9.800   4.116
  503   2HG   ARG  72           HG3      ARG  72   3.253  -9.060   3.159
  504   1HD   ARG  72           HD2      ARG  72   1.941 -11.095   3.265
  505   2HD   ARG  72           HD3      ARG  72   3.233 -11.949   4.136
  506    HE   ARG  72           HNE      ARG  72   3.004 -10.130   5.922
  507   1HH1  ARG  72           HN22     ARG  72   0.018 -11.240   4.162
  508   2HH1  ARG  72           HN21     ARG  72  -0.942 -10.183   5.227
  509   1HH2  ARG  72           HN12     ARG  72   1.699  -9.020   7.158
  510   2HH2  ARG  72           HN11     ARG  72  -0.091  -8.992   6.841
  511    H    ASP  73           HN       ASP  73   5.237 -10.866  -0.630
  512    HA   ASP  73           HA       ASP  73   7.465 -12.435  -0.468
  513   1HB   ASP  73           HB2      ASP  73   5.602 -12.362  -2.280
  514   2HB   ASP  73           HB3      ASP  73   6.559 -11.160  -3.105
  515    H    PHE  74           HN       PHE  74   7.148  -9.335  -2.019
  516    HA   PHE  74           HA       PHE  74   9.647  -8.919  -3.157
  517   1HB   PHE  74           HB2      PHE  74   7.361  -7.243  -2.278
  518   2HB   PHE  74           HB3      PHE  74   8.880  -6.405  -2.190
  519    HD1  PHE  74           HD1      PHE  74   7.504  -8.921  -4.644
  520    HD2  PHE  74           HD2      PHE  74   9.246  -5.020  -4.031
  521    HE1  PHE  74           HE1      PHE  74   7.630  -8.566  -7.105
  522    HE2  PHE  74           HE2      PHE  74   9.256  -4.636  -6.458
  523    HZ   PHE  74           HZ       PHE  74   8.253  -6.314  -7.997
  524    H    PHE  75           HN       PHE  75   8.772  -8.389   0.271
  525    HA   PHE  75           HA       PHE  75  11.588  -7.512   0.773
  526   1HB   PHE  75           HB2      PHE  75   9.144  -7.011   2.466
  527   2HB   PHE  75           HB3      PHE  75  10.695  -6.204   2.552
  528    HD1  PHE  75           HD1      PHE  75  11.360  -5.156   0.006
  529    HD2  PHE  75           HD2      PHE  75   7.423  -5.691   1.675
  530    HE1  PHE  75           HE1      PHE  75  10.415  -3.654  -1.728
  531    HE2  PHE  75           HE2      PHE  75   6.473  -4.242  -0.087
  532    HZ   PHE  75           HZ       PHE  75   7.960  -3.269  -1.821
  533    H    LYS  76           HN       LYS  76  10.148 -10.333   0.861
  534    HA   LYS  76           HA       LYS  76  11.114 -11.049   3.607
  535   1HB   LYS  76           HB2      LYS  76   8.646 -11.517   2.273
  536   2HB   LYS  76           HB3      LYS  76   9.495 -13.024   2.248
  537   1HG   LYS  76           HG2      LYS  76   8.023 -12.806   4.206
  538   2HG   LYS  76           HG3      LYS  76   9.701 -12.901   4.743
  539   1HD   LYS  76           HD2      LYS  76   8.244 -11.245   5.965
  540   2HD   LYS  76           HD3      LYS  76   9.745 -10.565   5.328
  541   1HE   LYS  76           HE2      LYS  76   8.581  -9.470   3.512
  542   2HE   LYS  76           HE3      LYS  76   7.071 -10.324   3.875
  543   1HZ   LYS  76           HNZ3     LYS  76   8.324  -8.483   5.801
  544   2HZ   LYS  76           HNZ1     LYS  76   7.322  -7.948   4.667
  545   3HZ   LYS  76           HNZ2     LYS  76   6.768  -9.050   5.765
  546    H    LYS  77           HN       LYS  77  11.300 -11.777   0.101
  547    HA   LYS  77           HA       LYS  77  13.033 -14.123   0.624
  548   1HB   LYS  77           HB2      LYS  77  10.744 -14.738   1.113
  549   2HB   LYS  77           HB3      LYS  77  10.128 -13.997  -0.341
  550   1HG   LYS  77           HG2      LYS  77  12.212 -16.031  -0.895
  551   2HG   LYS  77           HG3      LYS  77  10.913 -16.627   0.139
  552   1HD   LYS  77           HD2      LYS  77  10.278 -17.191  -2.049
  553   2HD   LYS  77           HD3      LYS  77   9.211 -15.875  -1.577
  554   1HE   LYS  77           HE2      LYS  77  11.754 -15.509  -3.254
  555   2HE   LYS  77           HE3      LYS  77  10.164 -15.834  -3.967
  556   1HZ   LYS  77           HNZ1     LYS  77  10.077 -13.662  -2.171
  557   2HZ   LYS  77           HNZ2     LYS  77  11.172 -13.359  -3.248
  558   3HZ   LYS  77           HNZ3     LYS  77   9.572 -13.683  -3.699
   
  No H/Q in entry =         557
  Start of MODEL    2
    1   1H    ALA   1           HN1      ALA   1  -2.066  -5.765   8.552
    2   2H    ALA   1           HN2      ALA   1  -2.452  -4.405   9.452
    3   2H    ALA   1           HN3      ALA   1  -2.452  -4.405   9.452
    4    HA   ALA   1           HA       ALA   1  -0.133  -4.835   7.730
    5   1HB   ALA   1           HB2      ALA   1   0.509  -3.585   9.658
    6   2HB   ALA   1           HB3      ALA   1   0.758  -2.854   8.057
    7   3HB   ALA   1           HB1      ALA   1  -0.557  -2.260   9.115
    8    H    TYR   2           HN       TYR   2  -0.686  -1.819   7.037
    9    HA   TYR   2           HA       TYR   2  -3.122  -2.023   5.379
   10   1HB   TYR   2           HB2      TYR   2  -1.417   0.206   6.431
   11   2HB   TYR   2           HB3      TYR   2  -2.307   0.434   4.937
   12    HD1  TYR   2           HD2      TYR   2  -2.850  -0.643   8.514
   13    HD2  TYR   2           HD1      TYR   2  -4.606   0.935   4.905
   14    HE1  TYR   2           HE2      TYR   2  -4.922  -0.092   9.752
   15    HE2  TYR   2           HE1      TYR   2  -6.625   1.559   6.159
   16    HH   TYR   2           HOH      TYR   2  -7.369   2.074   8.272
   17    H    VAL   3           HN       VAL   3  -3.047  -2.309   3.255
   18    HA   VAL   3           HA       VAL   3  -0.372  -2.437   1.905
   19    HB   VAL   3           HB       VAL   3  -2.415  -4.550   1.408
   20   1HG1  VAL   3           HG13     VAL   3   0.637  -4.417   1.586
   21   2HG1  VAL   3           HG11     VAL   3  -0.250  -5.916   1.342
   22   3HG1  VAL   3           HG12     VAL   3  -0.359  -4.634   0.126
   23   1HG2  VAL   3           HG22     VAL   3  -0.815  -4.444   3.951
   24   2HG2  VAL   3           HG23     VAL   3  -2.558  -4.713   3.764
   25   3HG2  VAL   3           HG21     VAL   3  -1.397  -5.962   3.294
   26    H    ILE   4           HN       ILE   4  -0.429  -2.604  -0.323
   27    HA   ILE   4           HA       ILE   4  -2.144  -0.630  -1.444
   28    HB   ILE   4           HB       ILE   4   0.371  -1.763  -2.012
   29   1HG1  ILE   4           HG12     ILE   4   0.205  -0.649  -4.295
   30   2HG1  ILE   4           HG13     ILE   4  -1.491  -0.306  -3.981
   31   1HG2  ILE   4           HG22     ILE   4  -0.626  -3.798  -2.725
   32   2HG2  ILE   4           HG23     ILE   4  -1.301  -2.982  -4.169
   33   3HG2  ILE   4           HG21     ILE   4   0.457  -2.997  -3.911
   34   1HD1  ILE   4           HD3      ILE   4   0.820   0.590  -2.173
   35   2HD1  ILE   4           HD1      ILE   4   0.106   1.591  -3.440
   36   3HD1  ILE   4           HD2      ILE   4  -0.876   1.109  -2.050
   37    H    THR   5           HN       THR   5  -3.592  -0.933  -3.341
   38    HA   THR   5           HA       THR   5  -4.152  -3.675  -4.082
   39    HB   THR   5           HB       THR   5  -6.592  -3.288  -4.232
   40    HG1  THR   5           HOG      THR   5  -6.085  -1.035  -2.564
   41   1HG2  THR   5           HG2      THR   5  -5.594  -4.562  -2.334
   42   2HG2  THR   5           HG3      THR   5  -5.685  -3.076  -1.359
   43   3HG2  THR   5           HG1      THR   5  -7.170  -3.829  -1.999
   44    H    GLU   6           HN       GLU   6  -5.368  -3.713  -6.055
   45    HA   GLU   6           HA       GLU   6  -4.640  -2.791  -8.305
   46   1HB   GLU   6           HB2      GLU   6  -6.472  -4.274  -7.871
   47   2HB   GLU   6           HB3      GLU   6  -7.461  -2.916  -7.445
   48   1HG   GLU   6           HG2      GLU   6  -8.097  -3.513  -9.597
   49   2HG   GLU   6           HG3      GLU   6  -7.119  -2.059  -9.848
   50    HA   PRO   7           HA       PRO   7  -7.038   1.324  -8.625
   51   1HB   PRO   7           HB2      PRO   7  -7.572   2.684  -6.174
   52   2HB   PRO   7           HB3      PRO   7  -8.719   1.878  -7.274
   53   1HG   PRO   7           HG2      PRO   7  -7.370   0.784  -4.805
   54   2HG   PRO   7           HG3      PRO   7  -9.050   0.526  -5.356
   55   1HD   PRO   7           HD2      PRO   7  -7.206  -1.371  -5.709
   56   2HD   PRO   7           HD3      PRO   7  -8.342  -0.976  -7.032
   57    H    CYS   8           HN       CYS   8  -4.314   0.952  -6.382
   58    HA   CYS   8           HA       CYS   8  -3.396   3.710  -6.648
   59   1HB   CYS   8           HB2      CYS   8  -2.571   2.336  -4.848
   60   2HB   CYS   8           HB3      CYS   8  -2.068   1.111  -5.999
   61    H    ILE   9           HN       ILE   9  -3.348   0.846  -8.720
   62    HA   ILE   9           HA       ILE   9  -0.934   1.053  -9.866
   63    HB   ILE   9           HB       ILE   9  -3.451  -0.086 -10.959
   64   1HG1  ILE   9           HG12     ILE   9  -0.861  -1.282  -9.900
   65   2HG1  ILE   9           HG13     ILE   9  -2.264  -0.968  -8.876
   66   1HG2  ILE   9           HG23     ILE   9  -1.976   0.451 -12.932
   67   2HG2  ILE   9           HG21     ILE   9  -0.639  -0.399 -12.129
   68   3HG2  ILE   9           HG22     ILE   9  -2.085  -1.281 -12.646
   69   1HD1  ILE   9           HD1      ILE   9  -3.598  -2.475 -10.398
   70   2HD1  ILE   9           HD2      ILE   9  -2.046  -2.977 -11.116
   71   3HD1  ILE   9           HD3      ILE   9  -2.343  -3.229  -9.382
   72    H    GLY  10           HN       GLY  10   0.191   2.236 -11.151
   73   1HA   GLY  10           HA2      GLY  10   0.830   4.000 -12.438
   74   2HA   GLY  10           HA3      GLY  10  -0.504   3.439 -13.450
   75    H    THR  11           HN       THR  11  -1.349   4.868 -10.312
   76    HA   THR  11           HA       THR  11  -2.850   6.942 -11.631
   77    HB   THR  11           HB       THR  11  -3.114   7.786  -9.248
   78    HG1  THR  11           HOG      THR  11  -1.938   5.387  -8.405
   79   1HG2  THR  11           HG2      THR  11  -3.769   4.872  -9.895
   80   2HG2  THR  11           HG3      THR  11  -4.430   5.780  -8.524
   81   3HG2  THR  11           HG1      THR  11  -4.775   6.297 -10.188
   82    H    LYS  12           HN       LYS  12   0.035   7.098  -9.511
   83    HA   LYS  12           HA       LYS  12   1.037   9.504 -10.898
   84   1HB   LYS  12           HB2      LYS  12  -0.641  10.218  -9.108
   85   2HB   LYS  12           HB3      LYS  12   0.400   9.422  -7.918
   86   1HG   LYS  12           HG2      LYS  12   2.252  10.952  -8.632
   87   2HG   LYS  12           HG3      LYS  12   1.148  11.807  -9.694
   88   1HD   LYS  12           HD2      LYS  12  -0.022  12.744  -7.872
   89   2HD   LYS  12           HD3      LYS  12   0.433  11.452  -6.768
   90   1HE   LYS  12           HE2      LYS  12   2.318  13.634  -7.797
   91   2HE   LYS  12           HE3      LYS  12   1.596  13.520  -6.179
   92   1HZ   LYS  12           HNZ1     LYS  12   2.799  11.225  -6.195
   93   2HZ   LYS  12           HNZ2     LYS  12   3.770  11.927  -7.319
   94   3HZ   LYS  12           HNZ3     LYS  12   3.660  12.539  -5.828
   95    H    ASP  13           HN       ASP  13   3.220   9.981 -10.280
   96    HA   ASP  13           HA       ASP  13   5.065   7.947  -9.456
   97   1HB   ASP  13           HB2      ASP  13   6.532   9.994  -9.220
   98   2HB   ASP  13           HB3      ASP  13   5.668   9.969 -10.765
   99    H    ALA  14           HN       ALA  14   6.420   8.343  -7.512
  100    HA   ALA  14           HA       ALA  14   6.001   7.926  -5.097
  101   1HB   ALA  14           HB1      ALA  14   8.063   8.979  -5.877
  102   2HB   ALA  14           HB2      ALA  14   7.286  10.578  -5.825
  103   3HB   ALA  14           HB3      ALA  14   7.542   9.661  -4.323
  104    H    SER  15           HN       SER  15   4.159   7.970  -3.968
  105    HA   SER  15           HA       SER  15   3.282  10.484  -2.799
  106   1HB   SER  15           HB2      SER  15   1.278   8.570  -4.065
  107   2HB   SER  15           HB3      SER  15   0.937  10.140  -3.321
  108    HG   SER  15           HOG      SER  15   2.279   9.500  -5.740
  109    H    CYS  16           HN       CYS  16   1.580   9.696  -1.064
  110    HA   CYS  16           HA       CYS  16   1.294   8.856   0.884
  111   1HB   CYS  16           HB2      CYS  16   1.281   6.460   1.335
  112   2HB   CYS  16           HB3      CYS  16   0.107   7.098   0.206
  113    H    VAL  17           HN       VAL  17   4.308   7.430  -0.302
  114    HA   VAL  17           HA       VAL  17   5.753   6.821   1.862
  115    HB   VAL  17           HB       VAL  17   6.584   6.811  -0.433
  116   1HG1  VAL  17           HG13     VAL  17   5.824   9.051  -1.197
  117   2HG1  VAL  17           HG11     VAL  17   7.069   9.810  -0.187
  118   3HG1  VAL  17           HG12     VAL  17   7.535   8.758  -1.525
  119   1HG2  VAL  17           HG21     VAL  17   8.183   6.619   1.450
  120   2HG2  VAL  17           HG22     VAL  17   8.911   7.349   0.011
  121   3HG2  VAL  17           HG23     VAL  17   8.462   8.371   1.389
  122    H    GLU  18           HN       GLU  18   5.100  10.227   0.998
  123    HA   GLU  18           HA       GLU  18   6.957  11.485   2.602
  124   1HB   GLU  18           HB2      GLU  18   4.113  12.501   2.160
  125   2HB   GLU  18           HB3      GLU  18   5.585  13.430   2.468
  126   1HG   GLU  18           HG2      GLU  18   5.452  13.758   0.239
  127   2HG   GLU  18           HG3      GLU  18   6.399  12.271   0.218
  128    H    VAL  19           HN       VAL  19   3.917   9.993   3.636
  129    HA   VAL  19           HA       VAL  19   3.923  11.612   6.120
  130    HB   VAL  19           HB       VAL  19   1.647  11.226   6.239
  131   1HG1  VAL  19           HG11     VAL  19   2.456  12.652   4.307
  132   2HG1  VAL  19           HG12     VAL  19   2.147  11.267   3.234
  133   3HG1  VAL  19           HG13     VAL  19   0.819  12.011   4.143
  134   1HG2  VAL  19           HG22     VAL  19   2.162   8.733   4.637
  135   2HG2  VAL  19           HG23     VAL  19   1.129   8.995   6.048
  136   3HG2  VAL  19           HG21     VAL  19   0.604   9.541   4.449
  137    H    CYS  20           HN       CYS  20   4.900   8.416   5.236
  138    HA   CYS  20           HA       CYS  20   3.588   7.127   7.400
  139   1HB   CYS  20           HB2      CYS  20   4.026   6.014   5.330
  140   2HB   CYS  20           HB3      CYS  20   5.763   6.194   5.587
  141    HA   PRO  21           HA       PRO  21   6.611   8.096  10.580
  142   1HB   PRO  21           HB2      PRO  21   5.791   5.902  12.280
  143   2HB   PRO  21           HB3      PRO  21   5.380   7.618  12.432
  144   1HG   PRO  21           HG2      PRO  21   3.716   5.416  11.476
  145   2HG   PRO  21           HG3      PRO  21   3.237   7.094  11.837
  146   1HD   PRO  21           HD2      PRO  21   3.519   5.894   9.286
  147   2HD   PRO  21           HD3      PRO  21   3.263   7.632   9.625
  148    H    VAL  22           HN       VAL  22   6.051   4.739   9.549
  149    HA   VAL  22           HA       VAL  22   8.915   4.025  10.076
  150    HB   VAL  22           HB       VAL  22   8.072   1.688  10.230
  151   1HG1  VAL  22           HG11     VAL  22   8.599   3.041  12.224
  152   2HG1  VAL  22           HG12     VAL  22   6.908   3.585  12.304
  153   3HG1  VAL  22           HG13     VAL  22   7.307   1.869  12.530
  154   1HG2  VAL  22           HG21     VAL  22   5.300   2.988  10.266
  155   2HG2  VAL  22           HG22     VAL  22   5.888   1.737   9.155
  156   3HG2  VAL  22           HG23     VAL  22   5.654   1.365  10.847
  157    H    ASP  23           HN       ASP  23   8.935   5.348   7.962
  158    HA   ASP  23           HA       ASP  23   7.740   4.703   5.673
  159   1HB   ASP  23           HB2      ASP  23   9.113   6.550   5.673
  160   2HB   ASP  23           HB3      ASP  23  10.497   5.459   5.859
  161    H    CYS  24           HN       CYS  24   7.373   2.958   4.670
  162    HA   CYS  24           HA       CYS  24   9.457   1.104   3.836
  163   1HB   CYS  24           HB2      CYS  24   8.133  -0.908   4.486
  164   2HB   CYS  24           HB3      CYS  24   8.670   0.027   5.891
  165    HG   CYS  24           HSG      CYS  24   6.507   1.346   6.259
  166    H    ILE  25           HN       ILE  25   7.829   3.298   2.691
  167    HA   ILE  25           HA       ILE  25   5.953   1.810   0.900
  168    HB   ILE  25           HB       ILE  25   6.534   4.780   1.199
  169   1HG1  ILE  25           HG12     ILE  25   4.169   5.002   1.753
  170   2HG1  ILE  25           HG13     ILE  25   3.916   3.276   1.591
  171   1HG2  ILE  25           HG21     ILE  25   4.732   3.292  -0.766
  172   2HG2  ILE  25           HG22     ILE  25   4.709   5.045  -0.517
  173   3HG2  ILE  25           HG23     ILE  25   6.150   4.278  -1.180
  174   1HD1  ILE  25           HD3      ILE  25   5.824   4.454   3.646
  175   2HD1  ILE  25           HD1      ILE  25   4.085   4.230   3.933
  176   3HD1  ILE  25           HD2      ILE  25   5.099   2.820   3.627
  177    H    HIS  26           HN       HIS  26   6.987   0.870  -0.804
  178    HA   HIS  26           HA       HIS  26   9.544   2.061  -1.822
  179   1HB   HIS  26           HB2      HIS  26   8.594  -0.779  -1.494
  180   2HB   HIS  26           HB3      HIS  26  10.126  -0.304  -2.207
  181    HD1  HIS  26           HND      HIS  26  11.418   1.536  -0.122
  182    HD2  HIS  26           HD       HIS  26   8.864  -1.641   0.914
  183    HE1  HIS  26           HE       HIS  26  11.944   0.940   2.303
  184    H    GLU  27           HN       GLU  27   9.931   1.178  -4.143
  185    HA   GLU  27           HA       GLU  27   7.405   1.584  -5.610
  186   1HB   GLU  27           HB2      GLU  27  10.137   1.490  -6.919
  187   2HB   GLU  27           HB3      GLU  27   8.697   2.407  -7.370
  188   1HG   GLU  27           HG2      GLU  27   9.103   3.770  -5.211
  189   2HG   GLU  27           HG3      GLU  27  10.680   2.981  -5.125
  190    H    GLY  28           HN       GLY  28   6.716   0.106  -7.230
  191   1HA   GLY  28           HA2      GLY  28   8.427  -2.358  -7.608
  192   2HA   GLY  28           HA3      GLY  28   6.672  -2.401  -7.619
  193    H    GLU  29           HN       GLU  29   6.385  -3.097  -9.706
  194    HA   GLU  29           HA       GLU  29   8.039  -2.434 -11.854
  195   1HB   GLU  29           HB2      GLU  29   5.151  -3.502 -11.819
  196   2HB   GLU  29           HB3      GLU  29   6.308  -3.573 -13.135
  197   1HG   GLU  29           HG2      GLU  29   6.570  -5.673 -12.248
  198   2HG   GLU  29           HG3      GLU  29   7.833  -4.831 -11.347
  199    H    ASP  30           HN       ASP  30   4.653  -1.579 -11.388
  200    HA   ASP  30           HA       ASP  30   4.883   0.925 -13.006
  201   1HB   ASP  30           HB2      ASP  30   3.203  -0.560 -13.845
  202   2HB   ASP  30           HB3      ASP  30   2.592  -0.950 -12.237
  203    H    GLN  31           HN       GLN  31   3.055  -0.338 -10.276
  204    HA   GLN  31           HA       GLN  31   2.801   2.289  -9.092
  205   1HB   GLN  31           HB2      GLN  31   1.158   1.216  -7.683
  206   2HB   GLN  31           HB3      GLN  31   0.969   0.749  -9.380
  207   1HG   GLN  31           HG2      GLN  31   1.862  -1.434  -9.062
  208   2HG   GLN  31           HG3      GLN  31   2.485  -0.959  -7.490
  209   1HE2  GLN  31           HNE2     GLN  31  -1.266  -1.100  -6.460
  210   2HE2  GLN  31           HNE1     GLN  31  -0.343   0.320  -6.868
  211    H    TYR  32           HN       TYR  32   2.627   2.115  -6.526
  212    HA   TYR  32           HA       TYR  32   5.304   1.307  -5.544
  213   1HB   TYR  32           HB2      TYR  32   3.205   3.275  -4.491
  214   2HB   TYR  32           HB3      TYR  32   4.649   2.818  -3.598
  215    HD1  TYR  32           HD2      TYR  32   3.624   4.282  -6.941
  216    HD2  TYR  32           HD1      TYR  32   6.569   4.153  -3.788
  217    HE1  TYR  32           HE2      TYR  32   5.132   5.697  -8.289
  218    HE2  TYR  32           HE1      TYR  32   7.967   5.757  -5.058
  219    HH   TYR  32           HOH      TYR  32   8.440   6.234  -7.384
  220    H    TYR  33           HN       TYR  33   5.359   0.409  -3.421
  221    HA   TYR  33           HA       TYR  33   3.005  -1.271  -2.608
  222   1HB   TYR  33           HB2      TYR  33   5.890  -2.151  -2.864
  223   2HB   TYR  33           HB3      TYR  33   4.628  -3.105  -2.162
  224    HD1  TYR  33           HD1      TYR  33   5.345  -1.405  -5.482
  225    HD2  TYR  33           HD2      TYR  33   3.807  -4.852  -3.433
  226    HE1  TYR  33           HE1      TYR  33   4.488  -2.287  -7.614
  227    HE2  TYR  33           HE2      TYR  33   2.973  -5.755  -5.560
  228    HH   TYR  33           HOH      TYR  33   4.063  -4.365  -8.616
  229    H    ILE  34           HN       ILE  34   3.644  -2.289  -0.428
  230    HA   ILE  34           HA       ILE  34   5.107  -0.420   1.362
  231    HB   ILE  34           HB       ILE  34   2.283  -1.510   1.796
  232   1HG1  ILE  34           HG12     ILE  34   3.078   1.380   1.633
  233   2HG1  ILE  34           HG13     ILE  34   2.525   0.525   0.198
  234   1HG2  ILE  34           HG23     ILE  34   3.997   0.295   3.581
  235   2HG2  ILE  34           HG21     ILE  34   2.326  -0.153   3.929
  236   3HG2  ILE  34           HG22     ILE  34   3.559  -1.378   3.957
  237   1HD1  ILE  34           HD3      ILE  34   0.770   0.680   2.664
  238   2HD1  ILE  34           HD1      ILE  34   0.794   1.898   1.382
  239   3HD1  ILE  34           HD2      ILE  34   0.350   0.226   0.999
  240    H    ASP  35           HN       ASP  35   6.075  -1.706   3.178
  241    HA   ASP  35           HA       ASP  35   5.558  -4.583   3.022
  242   1HB   ASP  35           HB2      ASP  35   7.905  -3.967   3.345
  243   2HB   ASP  35           HB3      ASP  35   7.490  -3.333   4.937
  244    HA   PRO  36           HA       PRO  36   2.375  -3.414   6.078
  245   1HB   PRO  36           HB2      PRO  36   1.203  -5.956   6.324
  246   2HB   PRO  36           HB3      PRO  36   0.757  -4.608   5.263
  247   1HG   PRO  36           HG2      PRO  36   2.566  -7.035   4.797
  248   2HG   PRO  36           HG3      PRO  36   1.347  -6.458   3.634
  249   1HD   PRO  36           HD2      PRO  36   3.958  -5.941   3.337
  250   2HD   PRO  36           HD3      PRO  36   2.756  -4.666   2.960
  251    H    ASP  37           HN       ASP  37   4.883  -6.036   6.328
  252    HA   ASP  37           HA       ASP  37   4.191  -6.726   9.010
  253   1HB   ASP  37           HB2      ASP  37   6.472  -7.134   7.240
  254   2HB   ASP  37           HB3      ASP  37   6.251  -7.910   8.768
  255    H    VAL  38           HN       VAL  38   5.976  -4.178   7.391
  256    HA   VAL  38           HA       VAL  38   7.436  -3.370   9.845
  257    HB   VAL  38           HB       VAL  38   7.331  -2.275   7.012
  258   1HG1  VAL  38           HG12     VAL  38   8.563  -1.116   9.531
  259   2HG1  VAL  38           HG13     VAL  38   9.144  -0.699   7.914
  260   3HG1  VAL  38           HG11     VAL  38   7.461  -0.342   8.358
  261   1HG2  VAL  38           HG23     VAL  38   8.724  -4.303   7.343
  262   2HG2  VAL  38           HG21     VAL  38   9.715  -2.878   6.998
  263   3HG2  VAL  38           HG22     VAL  38   9.592  -3.487   8.662
  264    H    CYS  39           HN       CYS  39   4.880  -2.147   7.593
  265    HA   CYS  39           HA       CYS  39   4.126   0.163   8.939
  266   1HB   CYS  39           HB2      CYS  39   3.214  -0.584   6.765
  267   2HB   CYS  39           HB3      CYS  39   2.541  -1.934   7.587
  268    H    ILE  40           HN       ILE  40   3.226   0.583  10.888
  269    HA   ILE  40           HA       ILE  40   2.880  -1.672  12.720
  270    HB   ILE  40           HB       ILE  40   2.816   0.065  14.436
  271   1HG1  ILE  40           HG12     ILE  40   3.890   2.351  13.402
  272   2HG1  ILE  40           HG13     ILE  40   2.723   1.987  12.139
  273   1HG2  ILE  40           HG22     ILE  40   4.859  -1.069  13.800
  274   2HG2  ILE  40           HG23     ILE  40   5.177   0.137  12.552
  275   3HG2  ILE  40           HG21     ILE  40   5.188   0.606  14.261
  276   1HD1  ILE  40           HD2      ILE  40   2.094   2.150  15.117
  277   2HD1  ILE  40           HD3      ILE  40   1.803   3.429  13.926
  278   3HD1  ILE  40           HD1      ILE  40   0.919   1.896  13.806
  279    H    ASP  41           HN       ASP  41   0.645  -1.492  10.768
  280    HA   ASP  41           HA       ASP  41  -1.601  -0.971  10.617
  281   1HB   ASP  41           HB2      ASP  41  -1.309  -2.414  13.267
  282   2HB   ASP  41           HB3      ASP  41  -2.896  -1.816  12.771
  283    H    CYS  42           HN       CYS  42  -0.423   1.214  10.796
  284    HA   CYS  42           HA       CYS  42  -2.064   2.939  12.584
  285   1HB   CYS  42           HB2      CYS  42  -0.427   4.319  12.641
  286   2HB   CYS  42           HB3      CYS  42   0.608   3.132  11.869
  287    H    GLY  43           HN       GLY  43  -2.594   5.037  10.975
  288   1HA   GLY  43           HA2      GLY  43  -3.949   3.948   8.518
  289   2HA   GLY  43           HA3      GLY  43  -4.716   5.146   9.564
  290    H    ALA  44           HN       ALA  44  -4.477   7.147   8.831
  291    HA   ALA  44           HA       ALA  44  -3.662   9.083   8.088
  292   1HB   ALA  44           HB2      ALA  44  -1.816   8.680   9.667
  293   2HB   ALA  44           HB3      ALA  44  -0.866   7.901   8.389
  294   3HB   ALA  44           HB1      ALA  44  -1.305   9.608   8.244
  295    H    CYS  45           HN       CYS  45  -1.415   6.746   6.546
  296    HA   CYS  45           HA       CYS  45  -1.233   8.050   4.055
  297   1HB   CYS  45           HB2      CYS  45  -0.304   6.029   3.235
  298   2HB   CYS  45           HB3      CYS  45   0.350   6.444   4.804
  299    H    GLU  46           HN       GLU  46  -3.282   5.408   5.117
  300    HA   GLU  46           HA       GLU  46  -5.163   4.775   3.311
  301   1HB   GLU  46           HB2      GLU  46  -5.067   4.172   5.730
  302   2HB   GLU  46           HB3      GLU  46  -5.586   5.811   6.139
  303   1HG   GLU  46           HG2      GLU  46  -7.749   5.245   4.793
  304   2HG   GLU  46           HG3      GLU  46  -7.202   3.569   4.912
  305    H    ALA  47           HN       ALA  47  -5.169   7.912   5.067
  306    HA   ALA  47           HA       ALA  47  -7.713   8.695   3.831
  307   1HB   ALA  47           HB1      ALA  47  -7.221   9.052   6.258
  308   2HB   ALA  47           HB2      ALA  47  -5.955  10.213   5.799
  309   3HB   ALA  47           HB3      ALA  47  -7.650  10.537   5.385
  310    H    VAL  48           HN       VAL  48  -4.266   9.676   3.775
  311    HA   VAL  48           HA       VAL  48  -4.875  11.979   2.063
  312    HB   VAL  48           HB       VAL  48  -2.542  12.477   2.077
  313   1HG1  VAL  48           HG13     VAL  48  -3.867  13.163   4.004
  314   2HG1  VAL  48           HG11     VAL  48  -3.503  11.639   4.844
  315   3HG1  VAL  48           HG12     VAL  48  -2.203  12.792   4.482
  316   1HG2  VAL  48           HG21     VAL  48  -2.242   9.668   3.041
  317   2HG2  VAL  48           HG22     VAL  48  -1.250  10.585   1.901
  318   3HG2  VAL  48           HG23     VAL  48  -1.107  10.879   3.646
  319    H    CYS  49           HN       CYS  49  -3.990   8.599   1.487
  320    HA   CYS  49           HA       CYS  49  -2.931   8.720  -1.059
  321   1HB   CYS  49           HB2      CYS  49  -3.261   6.598   0.108
  322   2HB   CYS  49           HB3      CYS  49  -4.999   6.846   0.019
  323    HA   PRO  50           HA       PRO  50  -6.071  11.343  -2.899
  324   1HB   PRO  50           HB2      PRO  50  -5.023  10.106  -5.462
  325   2HB   PRO  50           HB3      PRO  50  -5.448  11.815  -5.146
  326   1HG   PRO  50           HG2      PRO  50  -2.851  11.036  -5.033
  327   2HG   PRO  50           HG3      PRO  50  -3.509  12.090  -3.742
  328   1HD   PRO  50           HD2      PRO  50  -3.052   9.107  -3.661
  329   2HD   PRO  50           HD3      PRO  50  -2.710  10.359  -2.427
  330    H    VAL  51           HN       VAL  51  -5.821   7.950  -3.937
  331    HA   VAL  51           HA       VAL  51  -8.636   7.920  -4.875
  332    HB   VAL  51           HB       VAL  51  -6.516   5.739  -4.972
  333   1HG1  VAL  51           HG11     VAL  51  -9.165   6.136  -6.441
  334   2HG1  VAL  51           HG12     VAL  51  -7.961   4.904  -6.857
  335   3HG1  VAL  51           HG13     VAL  51  -8.773   4.837  -5.290
  336   1HG2  VAL  51           HG22     VAL  51  -7.253   7.858  -7.038
  337   2HG2  VAL  51           HG23     VAL  51  -5.668   7.636  -6.261
  338   3HG2  VAL  51           HG21     VAL  51  -6.281   6.415  -7.373
  339    H    SER  52           HN       SER  52  -6.803   7.252  -2.002
  340    HA   SER  52           HA       SER  52  -6.961   5.819  -0.295
  341   1HB   SER  52           HB2      SER  52  -8.990   7.165   0.030
  342   2HB   SER  52           HB3      SER  52  -9.944   5.813  -0.638
  343    HG   SER  52           HOG      SER  52  -8.192   5.827   1.641
  344    H    ALA  53           HN       ALA  53  -5.886   4.498  -1.960
  345    HA   ALA  53           HA       ALA  53  -7.277   2.032  -2.851
  346   1HB   ALA  53           HB1      ALA  53  -4.515   3.209  -3.417
  347   2HB   ALA  53           HB2      ALA  53  -5.119   1.680  -4.082
  348   3HB   ALA  53           HB3      ALA  53  -5.903   3.214  -4.521
  349    H    ILE  54           HN       ILE  54  -5.136   3.299  -0.417
  350    HA   ILE  54           HA       ILE  54  -3.753   0.851   0.214
  351    HB   ILE  54           HB       ILE  54  -4.122   3.478   1.705
  352   1HG1  ILE  54           HG12     ILE  54  -1.852   2.464  -0.047
  353   2HG1  ILE  54           HG13     ILE  54  -3.018   3.739  -0.437
  354   1HG2  ILE  54           HG21     ILE  54  -2.667   0.956   2.414
  355   2HG2  ILE  54           HG22     ILE  54  -1.832   2.485   2.734
  356   3HG2  ILE  54           HG23     ILE  54  -3.420   2.205   3.440
  357   1HD1  ILE  54           HD1      ILE  54  -2.057   4.722   1.914
  358   2HD1  ILE  54           HD2      ILE  54  -0.616   3.900   1.274
  359   3HD1  ILE  54           HD3      ILE  54  -1.429   5.141   0.316
  360    H    TYR  55           HN       TYR  55  -4.880  -0.873   1.006
  361    HA   TYR  55           HA       TYR  55  -7.084  -0.416   2.955
  362   1HB   TYR  55           HB2      TYR  55  -6.893  -2.349   0.688
  363   2HB   TYR  55           HB3      TYR  55  -8.166  -2.409   1.908
  364    HD1  TYR  55           HD1      TYR  55  -8.661   0.724   1.955
  365    HD2  TYR  55           HD2      TYR  55  -8.483  -2.272  -1.145
  366    HE1  TYR  55           HE1      TYR  55  -9.957   2.179   0.468
  367    HE2  TYR  55           HE2      TYR  55  -9.797  -0.801  -2.634
  368    HH   TYR  55           HOH      TYR  55 -10.270   2.542  -1.895
  369    H    HIS  56           HN       HIS  56  -7.426  -1.979   4.504
  370    HA   HIS  56           HA       HIS  56  -4.938  -3.099   5.416
  371   1HB   HIS  56           HB2      HIS  56  -6.715  -2.111   6.880
  372   2HB   HIS  56           HB3      HIS  56  -7.777  -3.464   6.467
  373    HD1  HIS  56           HND      HIS  56  -7.466  -5.624   7.970
  374    HD2  HIS  56           HD       HIS  56  -4.245  -2.934   8.040
  375    HE1  HIS  56           HE       HIS  56  -5.650  -6.706   9.391
  376    H    GLU  57           HN       GLU  57  -4.280  -5.260   5.490
  377    HA   GLU  57           HA       GLU  57  -4.841  -6.876   3.363
  378   1HB   GLU  57           HB2      GLU  57  -3.675  -8.609   4.760
  379   2HB   GLU  57           HB3      GLU  57  -2.854  -7.036   4.751
  380   1HG   GLU  57           HG2      GLU  57  -3.933  -6.617   6.990
  381   2HG   GLU  57           HG3      GLU  57  -4.444  -8.327   6.938
  382    H    ASP  58           HN       ASP  58  -6.732  -6.716   6.275
  383    HA   ASP  58           HA       ASP  58  -8.114  -9.251   5.937
  384   1HB   ASP  58           HB2      ASP  58  -7.895  -8.140   8.142
  385   2HB   ASP  58           HB3      ASP  58  -8.912  -6.796   7.560
  386    H    PHE  59           HN       PHE  59  -8.930  -5.767   5.403
  387    HA   PHE  59           HA       PHE  59 -11.539  -6.074   4.421
  388   1HB   PHE  59           HB2      PHE  59  -9.400  -3.940   4.080
  389   2HB   PHE  59           HB3      PHE  59 -11.102  -3.757   3.775
  390    HD1  PHE  59           HD1      PHE  59 -11.237  -5.610   6.729
  391    HD2  PHE  59           HD2      PHE  59 -10.095  -1.697   5.271
  392    HE1  PHE  59           HE1      PHE  59 -11.327  -4.727   9.010
  393    HE2  PHE  59           HE2      PHE  59 -10.217  -0.816   7.582
  394    HZ   PHE  59           HZ       PHE  59 -10.808  -2.331   9.462
  395    H    VAL  60           HN       VAL  60  -8.322  -6.008   3.033
  396    HA   VAL  60           HA       VAL  60  -8.815  -5.545   0.332
  397    HB   VAL  60           HB       VAL  60  -6.775  -7.126   1.873
  398   1HG1  VAL  60           HG12     VAL  60  -7.243  -8.218  -0.614
  399   2HG1  VAL  60           HG13     VAL  60  -6.201  -6.868  -1.054
  400   3HG1  VAL  60           HG11     VAL  60  -5.683  -8.076   0.116
  401   1HG2  VAL  60           HG22     VAL  60  -6.964  -4.592   1.554
  402   2HG2  VAL  60           HG23     VAL  60  -5.423  -5.294   1.053
  403   3HG2  VAL  60           HG21     VAL  60  -6.683  -4.923  -0.166
  404    HA   PRO  61           HA       PRO  61 -11.567  -8.881  -0.666
  405   1HB   PRO  61           HB2      PRO  61 -11.427  -8.832  -3.444
  406   2HB   PRO  61           HB3      PRO  61 -12.365  -7.694  -2.451
  407   1HG   PRO  61           HG2      PRO  61  -9.645  -7.318  -3.682
  408   2HG   PRO  61           HG3      PRO  61 -10.980  -6.136  -3.579
  409   1HD   PRO  61           HD2      PRO  61  -8.806  -6.128  -1.856
  410   2HD   PRO  61           HD3      PRO  61 -10.421  -5.583  -1.344
  411    H    GLU  62           HN       GLU  62 -11.521 -11.065  -1.438
  412    HA   GLU  62           HA       GLU  62  -9.244 -12.506  -0.984
  413   1HB   GLU  62           HB2      GLU  62 -11.622 -13.313  -1.101
  414   2HB   GLU  62           HB3      GLU  62 -11.477 -13.355  -2.871
  415   1HG   GLU  62           HG2      GLU  62  -9.631 -14.999  -2.655
  416   2HG   GLU  62           HG3      GLU  62  -9.726 -14.879  -0.886
  417    H    GLU  63           HN       GLU  63 -10.353 -11.166  -4.085
  418    HA   GLU  63           HA       GLU  63  -8.524 -12.293  -5.871
  419   1HB   GLU  63           HB2      GLU  63 -10.439 -10.842  -6.419
  420   2HB   GLU  63           HB3      GLU  63  -9.527  -9.423  -5.859
  421   1HG   GLU  63           HG2      GLU  63  -7.774  -9.993  -7.593
  422   2HG   GLU  63           HG3      GLU  63  -8.833 -11.290  -8.172
  423    H    TRP  64           HN       TRP  64  -8.099  -9.543  -3.620
  424    HA   TRP  64           HA       TRP  64  -5.317  -9.093  -4.591
  425   1HB   TRP  64           HB2      TRP  64  -7.240  -7.234  -3.211
  426   2HB   TRP  64           HB3      TRP  64  -5.602  -6.833  -3.678
  427    HD1  TRP  64           HD       TRP  64  -5.987  -8.585  -6.555
  428    HE1  TRP  64           HNE      TRP  64  -7.528  -7.760  -8.405
  429    HE3  TRP  64           HE       TRP  64  -8.438  -4.804  -4.049
  430    HZ2  TRP  64           HZ1      TRP  64  -9.381  -5.722  -8.851
  431    HZ3  TRP  64           HZ2      TRP  64  -9.973  -3.327  -5.341
  432    HH2  TRP  64           HH       TRP  64 -10.547  -3.880  -7.699
  433    H    LYS  65           HN       LYS  65  -6.700 -10.799  -2.123
  434    HA   LYS  65           HA       LYS  65  -4.618 -10.667  -0.168
  435   1HB   LYS  65           HB2      LYS  65  -6.363 -12.814  -1.251
  436   2HB   LYS  65           HB3      LYS  65  -4.821 -13.323  -0.592
  437   1HG   LYS  65           HG2      LYS  65  -6.602 -13.388   1.054
  438   2HG   LYS  65           HG3      LYS  65  -5.223 -12.384   1.530
  439   1HD   LYS  65           HD2      LYS  65  -6.447 -10.339   1.052
  440   2HD   LYS  65           HD3      LYS  65  -7.774 -11.247   0.303
  441   1HE   LYS  65           HE2      LYS  65  -8.313 -12.306   2.450
  442   2HE   LYS  65           HE3      LYS  65  -6.858 -11.585   3.187
  443   1HZ   LYS  65           HNZ3     LYS  65  -9.033  -9.896   2.122
  444   2HZ   LYS  65           HNZ1     LYS  65  -9.016 -10.366   3.685
  445   3HZ   LYS  65           HNZ2     LYS  65  -7.792  -9.488   3.092
  446    H    SER  66           HN       SER  66  -4.615 -11.844  -3.581
  447    HA   SER  66           HA       SER  66  -2.025 -12.825  -3.820
  448   1HB   SER  66           HB2      SER  66  -3.644 -11.100  -5.747
  449   2HB   SER  66           HB3      SER  66  -2.216 -12.056  -6.186
  450    HG   SER  66           HOG      SER  66  -4.596 -12.937  -6.240
  451    H    TYR  67           HN       TYR  67  -3.049  -9.349  -4.192
  452    HA   TYR  67           HA       TYR  67  -0.341  -8.443  -4.650
  453   1HB   TYR  67           HB2      TYR  67  -2.902  -7.062  -3.683
  454   2HB   TYR  67           HB3      TYR  67  -1.373  -6.219  -3.747
  455    HD1  TYR  67           HD1      TYR  67  -0.156  -6.885  -6.313
  456    HD2  TYR  67           HD2      TYR  67  -4.299  -6.204  -5.358
  457    HE1  TYR  67           HE1      TYR  67  -0.638  -6.406  -8.695
  458    HE2  TYR  67           HE2      TYR  67  -4.779  -5.777  -7.743
  459    HH   TYR  67           HOH      TYR  67  -3.878  -5.433  -9.845
  460    H    ILE  68           HN       ILE  68  -2.379  -8.814  -1.672
  461    HA   ILE  68           HA       ILE  68  -0.522  -7.446  -0.117
  462    HB   ILE  68           HB       ILE  68  -2.697  -9.498   0.331
  463   1HG1  ILE  68           HG12     ILE  68  -3.936  -7.807   1.176
  464   2HG1  ILE  68           HG13     ILE  68  -2.574  -6.862   1.715
  465   1HG2  ILE  68           HG21     ILE  68  -0.942  -8.465   2.571
  466   2HG2  ILE  68           HG22     ILE  68  -2.526  -9.253   2.776
  467   3HG2  ILE  68           HG23     ILE  68  -1.187 -10.158   2.070
  468   1HD1  ILE  68           HD3      ILE  68  -2.118  -6.097  -0.619
  469   2HD1  ILE  68           HD1      ILE  68  -3.526  -7.008  -1.169
  470   3HD1  ILE  68           HD2      ILE  68  -3.714  -5.667  -0.077
  471    H    GLN  69           HN       GLN  69  -0.782 -10.951  -0.853
  472    HA   GLN  69           HA       GLN  69   1.563 -11.776   0.530
  473   1HB   GLN  69           HB2      GLN  69  -0.051 -12.781  -1.815
  474   2HB   GLN  69           HB3      GLN  69   1.472 -13.549  -1.383
  475   1HG   GLN  69           HG2      GLN  69   0.729 -14.147   0.773
  476   2HG   GLN  69           HG3      GLN  69  -0.633 -13.014   0.726
  477   1HE2  GLN  69           HNE2     GLN  69  -2.713 -15.075  -1.354
  478   2HE2  GLN  69           HNE1     GLN  69  -2.227 -13.394  -1.095
  479    H    LYS  70           HN       LYS  70   1.105 -10.296  -2.724
  480    HA   LYS  70           HA       LYS  70   3.817 -10.535  -3.465
  481   1HB   LYS  70           HB2      LYS  70   1.700  -9.846  -4.872
  482   2HB   LYS  70           HB3      LYS  70   2.035  -8.218  -4.306
  483   1HG   LYS  70           HG2      LYS  70   4.253  -8.224  -5.290
  484   2HG   LYS  70           HG3      LYS  70   4.062  -9.917  -5.789
  485   1HD   LYS  70           HD2      LYS  70   2.138  -9.332  -7.210
  486   2HD   LYS  70           HD3      LYS  70   2.253  -7.633  -6.752
  487   1HE   LYS  70           HE2      LYS  70   4.478  -9.203  -8.154
  488   2HE   LYS  70           HE3      LYS  70   3.278  -8.214  -8.995
  489   1HZ   LYS  70           HNZ3     LYS  70   5.172  -7.128  -7.006
  490   2HZ   LYS  70           HNZ1     LYS  70   5.323  -7.045  -8.635
  491   3HZ   LYS  70           HNZ2     LYS  70   4.092  -6.283  -7.917
  492    H    ASN  71           HN       ASN  71   2.202  -7.651  -1.950
  493    HA   ASN  71           HA       ASN  71   4.536  -6.136  -1.595
  494   1HB   ASN  71           HB2      ASN  71   1.927  -6.512  -0.036
  495   2HB   ASN  71           HB3      ASN  71   3.137  -5.409   0.567
  496   1HD2  ASN  71           HND2     ASN  71   1.223  -4.474  -2.977
  497   2HD2  ASN  71           HND1     ASN  71   1.240  -6.136  -2.431
  498    H    ARG  72           HN       ARG  72   3.254  -8.810   0.467
  499    HA   ARG  72           HA       ARG  72   5.393  -8.558   2.317
  500   1HB   ARG  72           HB2      ARG  72   3.315 -10.561   1.591
  501   2HB   ARG  72           HB3      ARG  72   4.786 -11.246   2.271
  502   1HG   ARG  72           HG2      ARG  72   4.665  -9.834   4.219
  503   2HG   ARG  72           HG3      ARG  72   3.443  -8.795   3.465
  504   1HD   ARG  72           HD2      ARG  72   1.836 -10.623   3.529
  505   2HD   ARG  72           HD3      ARG  72   3.006 -11.656   4.380
  506    HE   ARG  72           HNE      ARG  72   3.147  -9.722   6.111
  507   1HH1  ARG  72           HN22     ARG  72   0.095 -10.527   4.453
  508   2HH1  ARG  72           HN21     ARG  72  -0.842  -9.655   5.654
  509   1HH2  ARG  72           HN12     ARG  72   1.968  -8.583   7.474
  510   2HH2  ARG  72           HN11     ARG  72   0.173  -8.479   7.368
  511    H    ASP  73           HN       ASP  73   5.085 -10.626  -0.634
  512    HA   ASP  73           HA       ASP  73   7.395 -12.071  -0.567
  513   1HB   ASP  73           HB2      ASP  73   5.496 -12.042  -2.312
  514   2HB   ASP  73           HB3      ASP  73   6.302 -10.706  -3.088
  515    H    PHE  74           HN       PHE  74   6.857  -8.927  -1.958
  516    HA   PHE  74           HA       PHE  74   9.258  -8.290  -3.189
  517   1HB   PHE  74           HB2      PHE  74   6.967  -6.791  -1.915
  518   2HB   PHE  74           HB3      PHE  74   8.424  -5.895  -2.198
  519    HD1  PHE  74           HD1      PHE  74   7.473  -8.578  -4.611
  520    HD2  PHE  74           HD2      PHE  74   7.376  -4.364  -3.691
  521    HE1  PHE  74           HE1      PHE  74   7.574  -8.031  -7.022
  522    HE2  PHE  74           HE2      PHE  74   7.336  -3.839  -6.073
  523    HZ   PHE  74           HZ       PHE  74   7.494  -5.654  -7.770
  524    H    PHE  75           HN       PHE  75   8.554  -8.044   0.301
  525    HA   PHE  75           HA       PHE  75  11.343  -7.011   0.700
  526   1HB   PHE  75           HB2      PHE  75   8.884  -6.528   2.398
  527   2HB   PHE  75           HB3      PHE  75  10.439  -5.740   2.509
  528    HD1  PHE  75           HD2      PHE  75  11.203  -4.654   0.048
  529    HD2  PHE  75           HD1      PHE  75   7.168  -5.273   1.430
  530    HE1  PHE  75           HE2      PHE  75  10.355  -3.165  -1.740
  531    HE2  PHE  75           HE1      PHE  75   6.321  -3.816  -0.368
  532    HZ   PHE  75           HZ       PHE  75   7.914  -2.767  -1.967
  533    H    LYS  76           HN       LYS  76  10.194  -9.911   0.712
  534    HA   LYS  76           HA       LYS  76  11.080 -10.576   3.491
  535   1HB   LYS  76           HB2      LYS  76   8.640 -11.088   2.130
  536   2HB   LYS  76           HB3      LYS  76   9.509 -12.579   2.130
  537   1HG   LYS  76           HG2      LYS  76   8.036 -12.384   4.085
  538   2HG   LYS  76           HG3      LYS  76   9.716 -12.427   4.623
  539   1HD   LYS  76           HD2      LYS  76   8.264 -10.793   5.838
  540   2HD   LYS  76           HD3      LYS  76   9.697 -10.044   5.133
  541   1HE   LYS  76           HE2      LYS  76   8.382  -9.072   3.324
  542   2HE   LYS  76           HE3      LYS  76   6.957 -10.012   3.809
  543   1HZ   LYS  76           HNZ2     LYS  76   6.964  -8.754   5.877
  544   2HZ   LYS  76           HNZ3     LYS  76   8.178  -7.731   5.278
  545   3HZ   LYS  76           HNZ1     LYS  76   6.750  -7.762   4.629
  546    H    LYS  77           HN       LYS  77  11.158 -11.610   0.021
  547    HA   LYS  77           HA       LYS  77  13.643 -13.065   0.463
  548   1HB   LYS  77           HB2      LYS  77  12.593 -14.836  -0.872
  549   2HB   LYS  77           HB3      LYS  77  11.868 -14.656   0.733
  550   1HG   LYS  77           HG2      LYS  77   9.877 -14.679  -0.208
  551   2HG   LYS  77           HG3      LYS  77  10.172 -13.120  -0.937
  552   1HD   LYS  77           HD2      LYS  77  10.871 -15.828  -2.180
  553   2HD   LYS  77           HD3      LYS  77   9.392 -14.940  -2.496
  554   1HE   LYS  77           HE2      LYS  77  12.218 -14.106  -3.270
  555   2HE   LYS  77           HE3      LYS  77  10.893 -14.587  -4.336
  556   1HZ   LYS  77           HNZ1     LYS  77   9.693 -12.578  -3.597
  557   2HZ   LYS  77           HNZ2     LYS  77  11.021 -12.124  -2.719
  558   3HZ   LYS  77           HNZ3     LYS  77  11.113 -12.230  -4.327
   
  No H/Q in entry =         557
  Start of MODEL    3
    1   1H    ALA   1           HN1      ALA   1  -2.137  -5.708   8.287
    2   2H    ALA   1           HN2      ALA   1  -2.436  -4.375   9.268
    3   2H    ALA   1           HN3      ALA   1  -2.436  -4.375   9.268
    4    HA   ALA   1           HA       ALA   1  -0.259  -4.753   7.366
    5   1HB   ALA   1           HB3      ALA   1   0.515  -3.669   9.374
    6   2HB   ALA   1           HB1      ALA   1   0.753  -2.883   7.800
    7   3HB   ALA   1           HB2      ALA   1  -0.494  -2.264   8.928
    8    H    TYR   2           HN       TYR   2  -0.657  -1.753   6.789
    9    HA   TYR   2           HA       TYR   2  -3.204  -1.791   5.254
   10   1HB   TYR   2           HB2      TYR   2  -1.456   0.367   6.384
   11   2HB   TYR   2           HB3      TYR   2  -2.384   0.684   4.930
   12    HD1  TYR   2           HD1      TYR   2  -2.691  -0.294   8.501
   13    HD2  TYR   2           HD2      TYR   2  -4.799   0.866   4.931
   14    HE1  TYR   2           HE1      TYR   2  -4.735   0.080   9.837
   15    HE2  TYR   2           HE2      TYR   2  -6.847   1.253   6.266
   16    HH   TYR   2           HOH      TYR   2  -6.837   1.075   9.814
   17    H    VAL   3           HN       VAL   3  -3.127  -2.135   3.140
   18    HA   VAL   3           HA       VAL   3  -0.427  -2.199   1.825
   19    HB   VAL   3           HB       VAL   3  -2.429  -4.400   1.485
   20   1HG1  VAL   3           HG13     VAL   3   0.621  -4.142   1.362
   21   2HG1  VAL   3           HG11     VAL   3  -0.217  -5.687   1.295
   22   3HG1  VAL   3           HG12     VAL   3  -0.493  -4.498   0.017
   23   1HG2  VAL   3           HG23     VAL   3  -0.578  -4.103   3.840
   24   2HG2  VAL   3           HG21     VAL   3  -2.324  -4.433   3.846
   25   3HG2  VAL   3           HG22     VAL   3  -1.184  -5.677   3.312
   26    H    ILE   4           HN       ILE   4  -0.422  -2.456  -0.377
   27    HA   ILE   4           HA       ILE   4  -2.158  -0.628  -1.675
   28    HB   ILE   4           HB       ILE   4   0.400  -1.769  -2.088
   29   1HG1  ILE   4           HG12     ILE   4   0.421  -0.726  -4.348
   30   2HG1  ILE   4           HG13     ILE   4  -1.325  -0.472  -4.270
   31   1HG2  ILE   4           HG23     ILE   4  -0.444  -3.865  -2.686
   32   2HG2  ILE   4           HG21     ILE   4  -1.209  -3.193  -4.163
   33   3HG2  ILE   4           HG22     ILE   4   0.542  -3.093  -3.951
   34   1HD1  ILE   4           HD2      ILE   4   0.265   0.580  -1.945
   35   2HD1  ILE   4           HD3      ILE   4   0.524   1.382  -3.502
   36   3HD1  ILE   4           HD1      ILE   4  -1.107   1.305  -2.812
   37    H    THR   5           HN       THR   5  -3.460  -1.141  -3.652
   38    HA   THR   5           HA       THR   5  -4.359  -3.988  -3.828
   39    HB   THR   5           HB       THR   5  -6.539  -3.027  -4.721
   40    HG1  THR   5           HOG      THR   5  -5.853  -0.763  -3.139
   41   1HG2  THR   5           HG2      THR   5  -6.336  -4.202  -2.593
   42   2HG2  THR   5           HG3      THR   5  -5.997  -2.662  -1.763
   43   3HG2  THR   5           HG1      THR   5  -7.580  -2.956  -2.533
   44    H    GLU   6           HN       GLU   6  -5.317  -1.313  -5.793
   45    HA   GLU   6           HA       GLU   6  -4.058  -2.540  -8.186
   46   1HB   GLU   6           HB2      GLU   6  -5.644  -4.132  -7.580
   47   2HB   GLU   6           HB3      GLU   6  -6.868  -2.911  -7.380
   48   1HG   GLU   6           HG2      GLU   6  -7.528  -3.412  -9.448
   49   2HG   GLU   6           HG3      GLU   6  -6.109  -2.567 -10.065
   50    HA   PRO   7           HA       PRO   7  -6.714   1.088  -9.837
   51   1HB   PRO   7           HB2      PRO   7  -7.794   2.847  -7.891
   52   2HB   PRO   7           HB3      PRO   7  -8.667   1.658  -8.893
   53   1HG   PRO   7           HG2      PRO   7  -7.665   1.366  -6.067
   54   2HG   PRO   7           HG3      PRO   7  -9.188   0.757  -6.775
   55   1HD   PRO   7           HD2      PRO   7  -7.129  -0.888  -6.346
   56   2HD   PRO   7           HD3      PRO   7  -8.078  -1.030  -7.850
   57    H    CYS   8           HN       CYS   8  -4.771   1.430  -6.940
   58    HA   CYS   8           HA       CYS   8  -3.560   3.925  -7.222
   59   1HB   CYS   8           HB2      CYS   8  -3.244   2.435  -5.331
   60   2HB   CYS   8           HB3      CYS   8  -2.594   1.194  -6.403
   61    H    ILE   9           HN       ILE   9  -2.964   0.932  -9.091
   62    HA   ILE   9           HA       ILE   9  -0.405   1.357  -9.946
   63    HB   ILE   9           HB       ILE   9  -2.670  -0.100 -11.243
   64   1HG1  ILE   9           HG12     ILE   9  -0.188  -0.983  -9.716
   65   2HG1  ILE   9           HG13     ILE   9  -1.758  -0.761  -8.955
   66   1HG2  ILE   9           HG23     ILE   9   0.279  -0.162 -12.022
   67   2HG2  ILE   9           HG21     ILE   9  -0.953  -1.298 -12.594
   68   3HG2  ILE   9           HG22     ILE   9  -1.059   0.400 -13.051
   69   1HD1  ILE   9           HD2      ILE   9  -2.425  -2.434 -11.025
   70   2HD1  ILE   9           HD3      ILE   9  -0.782  -2.983 -10.599
   71   3HD1  ILE   9           HD1      ILE   9  -2.056  -2.925  -9.362
   72    H    GLY  10           HN       GLY  10   0.708   2.368 -11.699
   73   1HA   GLY  10           HA2      GLY  10   0.963   3.852 -13.381
   74   2HA   GLY  10           HA3      GLY  10  -0.779   4.083 -13.524
   75    H    THR  11           HN       THR  11  -0.823   4.775 -10.419
   76    HA   THR  11           HA       THR  11  -0.708   7.593 -10.884
   77    HB   THR  11           HB       THR  11  -0.818   6.125  -8.217
   78    HG1  THR  11           HOG      THR  11  -2.512   5.445  -9.393
   79   1HG2  THR  11           HG2      THR  11  -1.711   8.925  -9.042
   80   2HG2  THR  11           HG3      THR  11  -2.032   8.147  -7.476
   81   3HG2  THR  11           HG1      THR  11  -0.368   8.531  -7.942
   82    H    LYS  12           HN       LYS  12   1.570   5.320  -9.404
   83    HA   LYS  12           HA       LYS  12   3.685   5.481  -8.698
   84   1HB   LYS  12           HB2      LYS  12   3.746   7.671 -10.817
   85   2HB   LYS  12           HB3      LYS  12   5.182   7.169  -9.955
   86   1HG   LYS  12           HG2      LYS  12   3.410   5.353 -11.645
   87   2HG   LYS  12           HG3      LYS  12   4.918   6.097 -12.173
   88   1HD   LYS  12           HD2      LYS  12   4.608   4.006  -9.979
   89   2HD   LYS  12           HD3      LYS  12   5.258   3.777 -11.593
   90   1HE   LYS  12           HE2      LYS  12   7.168   5.240 -11.102
   91   2HE   LYS  12           HE3      LYS  12   6.564   5.590  -9.474
   92   1HZ   LYS  12           HNZ2     LYS  12   7.123   2.828 -10.281
   93   2HZ   LYS  12           HNZ3     LYS  12   8.291   3.809  -9.591
   94   3HZ   LYS  12           HNZ1     LYS  12   7.013   3.404  -8.774
   95    H    ASP  13           HN       ASP  13   3.909   8.942  -9.129
   96    HA   ASP  13           HA       ASP  13   4.952   8.914  -6.387
   97   1HB   ASP  13           HB2      ASP  13   5.191  10.958  -8.623
   98   2HB   ASP  13           HB3      ASP  13   6.074  10.968  -7.089
   99    H    ALA  14           HN       ALA  14   2.617   8.771  -5.624
  100    HA   ALA  14           HA       ALA  14   1.606  11.558  -5.118
  101   1HB   ALA  14           HB2      ALA  14   0.118   8.929  -4.964
  102   2HB   ALA  14           HB3      ALA  14  -0.528  10.509  -4.477
  103   3HB   ALA  14           HB1      ALA  14  -0.098  10.210  -6.171
  104    H    SER  15           HN       SER  15   0.777  11.891  -2.922
  105    HA   SER  15           HA       SER  15   3.049  11.865  -1.468
  106   1HB   SER  15           HB2      SER  15   0.240  12.580  -0.563
  107   2HB   SER  15           HB3      SER  15   1.745  13.073   0.251
  108    HG   SER  15           HOG      SER  15   2.389  14.177  -1.490
  109    H    CYS  16           HN       CYS  16   1.071   9.109  -1.390
  110    HA   CYS  16           HA       CYS  16   1.114   8.344   1.322
  111   1HB   CYS  16           HB2      CYS  16   1.176   6.102   0.554
  112   2HB   CYS  16           HB3      CYS  16  -0.053   7.059  -0.296
  113    H    VAL  17           HN       VAL  17   3.631   8.261  -1.161
  114    HA   VAL  17           HA       VAL  17   5.661   6.946   0.227
  115    HB   VAL  17           HB       VAL  17   5.631   7.545  -2.158
  116   1HG1  VAL  17           HG11     VAL  17   5.095  10.125  -1.510
  117   2HG1  VAL  17           HG12     VAL  17   6.853  10.235  -1.707
  118   3HG1  VAL  17           HG13     VAL  17   5.840   9.633  -3.033
  119   1HG2  VAL  17           HG21     VAL  17   7.703   6.765  -1.101
  120   2HG2  VAL  17           HG22     VAL  17   8.039   7.925  -2.402
  121   3HG2  VAL  17           HG23     VAL  17   8.156   8.436  -0.706
  122    H    GLU  18           HN       GLU  18   4.631  10.360   0.658
  123    HA   GLU  18           HA       GLU  18   7.151  11.111   1.909
  124   1HB   GLU  18           HB2      GLU  18   4.549  12.669   2.070
  125   2HB   GLU  18           HB3      GLU  18   6.207  13.263   2.161
  126   1HG   GLU  18           HG2      GLU  18   6.526  12.785  -0.240
  127   2HG   GLU  18           HG3      GLU  18   4.886  12.132  -0.334
  128    H    VAL  19           HN       VAL  19   3.912  10.160   2.959
  129    HA   VAL  19           HA       VAL  19   4.203  11.483   5.491
  130    HB   VAL  19           HB       VAL  19   1.943  10.758   5.916
  131   1HG1  VAL  19           HG11     VAL  19   2.377  12.742   4.496
  132   2HG1  VAL  19           HG12     VAL  19   2.320  11.728   3.045
  133   3HG1  VAL  19           HG13     VAL  19   0.869  11.924   4.042
  134   1HG2  VAL  19           HG22     VAL  19   2.124   8.447   4.772
  135   2HG2  VAL  19           HG23     VAL  19   0.650   9.377   4.497
  136   3HG2  VAL  19           HG21     VAL  19   1.893   9.304   3.240
  137    H    CYS  20           HN       CYS  20   4.868   8.171   4.583
  138    HA   CYS  20           HA       CYS  20   3.766   7.020   6.836
  139   1HB   CYS  20           HB2      CYS  20   4.046   5.799   4.896
  140   2HB   CYS  20           HB3      CYS  20   5.806   5.984   4.940
  141    HA   PRO  21           HA       PRO  21   6.637   8.116  10.110
  142   1HB   PRO  21           HB2      PRO  21   5.359   5.599  11.223
  143   2HB   PRO  21           HB3      PRO  21   5.781   7.100  12.098
  144   1HG   PRO  21           HG2      PRO  21   3.231   6.705  11.281
  145   2HG   PRO  21           HG3      PRO  21   4.001   8.298  10.986
  146   1HD   PRO  21           HD2      PRO  21   3.629   6.011   9.058
  147   2HD   PRO  21           HD3      PRO  21   3.381   7.768   8.815
  148    H    VAL  22           HN       VAL  22   6.561   4.904   8.609
  149    HA   VAL  22           HA       VAL  22   9.322   4.335   9.627
  150    HB   VAL  22           HB       VAL  22   8.655   1.921   9.498
  151   1HG1  VAL  22           HG11     VAL  22   7.283   3.774  11.476
  152   2HG1  VAL  22           HG12     VAL  22   7.209   2.010  11.603
  153   3HG1  VAL  22           HG13     VAL  22   8.775   2.836  11.665
  154   1HG2  VAL  22           HG21     VAL  22   6.674   2.186   8.003
  155   2HG2  VAL  22           HG22     VAL  22   6.312   1.295   9.490
  156   3HG2  VAL  22           HG23     VAL  22   5.800   2.980   9.334
  157    H    ASP  23           HN       ASP  23   8.169   5.683   7.089
  158    HA   ASP  23           HA       ASP  23   8.771   5.850   4.933
  159   1HB   ASP  23           HB2      ASP  23  11.261   4.409   5.943
  160   2HB   ASP  23           HB3      ASP  23  11.151   5.406   4.491
  161    H    CYS  24           HN       CYS  24   7.451   3.107   5.658
  162    HA   CYS  24           HA       CYS  24   9.036   1.248   4.129
  163   1HB   CYS  24           HB2      CYS  24   7.716  -0.453   4.999
  164   2HB   CYS  24           HB3      CYS  24   8.004   0.701   6.306
  165    HG   CYS  24           HSG      CYS  24   5.520  -0.564   6.053
  166    H    ILE  25           HN       ILE  25   7.781   3.298   2.492
  167    HA   ILE  25           HA       ILE  25   6.027   1.698   0.697
  168    HB   ILE  25           HB       ILE  25   6.543   4.711   0.817
  169   1HG1  ILE  25           HG12     ILE  25   4.061   4.806   0.782
  170   2HG1  ILE  25           HG13     ILE  25   4.000   3.058   0.892
  171   1HG2  ILE  25           HG22     ILE  25   5.154   3.064  -1.340
  172   2HG2  ILE  25           HG23     ILE  25   5.093   4.830  -1.218
  173   3HG2  ILE  25           HG21     ILE  25   6.627   4.039  -1.557
  174   1HD1  ILE  25           HD3      ILE  25   5.596   4.189   3.097
  175   2HD1  ILE  25           HD1      ILE  25   4.039   5.000   2.921
  176   3HD1  ILE  25           HD2      ILE  25   4.087   3.247   3.171
  177    H    HIS  26           HN       HIS  26   7.131   0.639  -0.899
  178    HA   HIS  26           HA       HIS  26   9.777   1.671  -1.824
  179   1HB   HIS  26           HB2      HIS  26   8.870  -1.137  -1.258
  180   2HB   HIS  26           HB3      HIS  26  10.483  -0.646  -1.724
  181    HD1  HIS  26           HND      HIS  26  11.267   1.370   0.517
  182    HD2  HIS  26           HD       HIS  26   8.714  -1.922   1.071
  183    HE1  HIS  26           HE       HIS  26  11.349   0.819   3.008
  184    H    GLU  27           HN       GLU  27  10.286   0.336  -4.009
  185    HA   GLU  27           HA       GLU  27   7.917   0.865  -5.594
  186   1HB   GLU  27           HB2      GLU  27  10.762   0.167  -6.345
  187   2HB   GLU  27           HB3      GLU  27   9.426   0.395  -7.494
  188   1HG   GLU  27           HG2      GLU  27   9.878   2.624  -5.551
  189   2HG   GLU  27           HG3      GLU  27  11.012   2.404  -6.892
  190    H    GLY  28           HN       GLY  28   6.981  -0.479  -7.117
  191   1HA   GLY  28           HA2      GLY  28   7.591  -3.408  -7.121
  192   2HA   GLY  28           HA3      GLY  28   6.035  -2.660  -7.535
  193    H    GLU  29           HN       GLU  29   6.480  -3.943  -9.592
  194    HA   GLU  29           HA       GLU  29   8.403  -3.299 -11.452
  195   1HB   GLU  29           HB2      GLU  29   5.463  -4.051 -11.912
  196   2HB   GLU  29           HB3      GLU  29   6.795  -4.176 -13.048
  197   1HG   GLU  29           HG2      GLU  29   6.824  -6.328 -12.297
  198   2HG   GLU  29           HG3      GLU  29   7.863  -5.657 -11.036
  199    H    ASP  30           HN       ASP  30   5.041  -2.042 -11.575
  200    HA   ASP  30           HA       ASP  30   5.968   0.525 -12.781
  201   1HB   ASP  30           HB2      ASP  30   4.011  -0.339 -13.860
  202   2HB   ASP  30           HB3      ASP  30   3.203  -0.708 -12.338
  203    H    GLN  31           HN       GLN  31   3.618  -0.493 -10.355
  204    HA   GLN  31           HA       GLN  31   3.761   2.090  -9.133
  205   1HB   GLN  31           HB2      GLN  31   1.715   0.974  -9.814
  206   2HB   GLN  31           HB3      GLN  31   2.021  -0.351  -8.686
  207   1HG   GLN  31           HG2      GLN  31   0.327   1.257  -7.856
  208   2HG   GLN  31           HG3      GLN  31   1.704   1.074  -6.795
  209   1HE2  GLN  31           HNE2     GLN  31   2.124   4.591  -6.682
  210   2HE2  GLN  31           HNE1     GLN  31   2.128   3.040  -5.860
  211    H    TYR  32           HN       TYR  32   4.027   2.573  -6.891
  212    HA   TYR  32           HA       TYR  32   5.875   0.887  -5.505
  213   1HB   TYR  32           HB2      TYR  32   4.243   3.165  -4.329
  214   2HB   TYR  32           HB3      TYR  32   5.639   2.297  -3.670
  215    HD1  TYR  32           HD1      TYR  32   4.692   4.606  -6.475
  216    HD2  TYR  32           HD2      TYR  32   7.759   3.184  -3.803
  217    HE1  TYR  32           HE1      TYR  32   6.151   6.499  -7.127
  218    HE2  TYR  32           HE2      TYR  32   9.194   5.089  -4.442
  219    HH   TYR  32           HOH      TYR  32   8.130   7.626  -6.714
  220    H    TYR  33           HN       TYR  33   5.657  -0.164  -3.628
  221    HA   TYR  33           HA       TYR  33   2.982  -1.163  -2.705
  222   1HB   TYR  33           HB2      TYR  33   5.714  -2.494  -2.770
  223   2HB   TYR  33           HB3      TYR  33   4.287  -3.244  -2.129
  224    HD1  TYR  33           HD1      TYR  33   2.498  -2.034  -4.589
  225    HD2  TYR  33           HD2      TYR  33   6.131  -4.348  -4.284
  226    HE1  TYR  33           HE1      TYR  33   2.236  -2.741  -6.878
  227    HE2  TYR  33           HE2      TYR  33   5.787  -5.135  -6.575
  228    HH   TYR  33           HOH      TYR  33   4.522  -4.773  -8.532
  229    H    ILE  34           HN       ILE  34   3.424  -2.199  -0.475
  230    HA   ILE  34           HA       ILE  34   4.980  -0.316   1.225
  231    HB   ILE  34           HB       ILE  34   2.168  -1.461   1.606
  232   1HG1  ILE  34           HG12     ILE  34   2.964   1.445   1.799
  233   2HG1  ILE  34           HG13     ILE  34   2.651   0.737   0.210
  234   1HG2  ILE  34           HG23     ILE  34   3.850   0.105   3.598
  235   2HG2  ILE  34           HG21     ILE  34   2.122  -0.199   3.787
  236   3HG2  ILE  34           HG22     ILE  34   3.240  -1.547   3.817
  237   1HD1  ILE  34           HD2      ILE  34   0.379  -0.003   1.125
  238   2HD1  ILE  34           HD3      ILE  34   0.693   1.117   2.476
  239   3HD1  ILE  34           HD1      ILE  34   0.645   1.717   0.807
  240    H    ASP  35           HN       ASP  35   5.963  -1.449   3.075
  241    HA   ASP  35           HA       ASP  35   5.836  -4.376   2.986
  242   1HB   ASP  35           HB2      ASP  35   8.023  -3.368   3.230
  243   2HB   ASP  35           HB3      ASP  35   7.506  -2.584   4.723
  244    HA   PRO  36           HA       PRO  36   2.694  -3.659   6.177
  245   1HB   PRO  36           HB2      PRO  36   1.283  -6.015   5.965
  246   2HB   PRO  36           HB3      PRO  36   1.101  -4.544   4.997
  247   1HG   PRO  36           HG2      PRO  36   2.458  -7.171   4.319
  248   2HG   PRO  36           HG3      PRO  36   1.652  -6.039   3.205
  249   1HD   PRO  36           HD2      PRO  36   4.466  -6.288   3.744
  250   2HD   PRO  36           HD3      PRO  36   3.639  -5.039   2.778
  251    H    ASP  37           HN       ASP  37   5.396  -5.912   6.328
  252    HA   ASP  37           HA       ASP  37   4.600  -7.129   8.825
  253   1HB   ASP  37           HB2      ASP  37   7.112  -6.855   7.376
  254   2HB   ASP  37           HB3      ASP  37   6.793  -7.892   8.709
  255    H    VAL  38           HN       VAL  38   6.434  -4.458   7.312
  256    HA   VAL  38           HA       VAL  38   7.482  -3.441   9.851
  257    HB   VAL  38           HB       VAL  38   7.560  -2.441   6.983
  258   1HG1  VAL  38           HG11     VAL  38   8.700  -1.131   9.469
  259   2HG1  VAL  38           HG12     VAL  38   9.178  -0.732   7.804
  260   3HG1  VAL  38           HG13     VAL  38   7.509  -0.465   8.317
  261   1HG2  VAL  38           HG23     VAL  38   9.463  -3.899   8.839
  262   2HG2  VAL  38           HG21     VAL  38   9.103  -4.197   7.136
  263   3HG2  VAL  38           HG22     VAL  38  10.119  -2.826   7.591
  264    H    CYS  39           HN       CYS  39   4.944  -2.367   7.499
  265    HA   CYS  39           HA       CYS  39   4.224   0.015   8.819
  266   1HB   CYS  39           HB2      CYS  39   3.326  -0.724   6.613
  267   2HB   CYS  39           HB3      CYS  39   2.588  -2.029   7.446
  268    H    ILE  40           HN       ILE  40   3.278   0.412  10.743
  269    HA   ILE  40           HA       ILE  40   2.843  -1.877  12.515
  270    HB   ILE  40           HB       ILE  40   2.918  -0.207  14.278
  271   1HG1  ILE  40           HG12     ILE  40   3.977   2.093  13.353
  272   2HG1  ILE  40           HG13     ILE  40   2.833   1.813  12.048
  273   1HG2  ILE  40           HG23     ILE  40   4.948  -1.315  13.371
  274   2HG2  ILE  40           HG21     ILE  40   5.195   0.070  12.286
  275   3HG2  ILE  40           HG22     ILE  40   5.278   0.287  14.042
  276   1HD1  ILE  40           HD1      ILE  40   2.152   1.848  15.028
  277   2HD1  ILE  40           HD2      ILE  40   1.950   3.212  13.916
  278   3HD1  ILE  40           HD3      ILE  40   0.989   1.743  13.684
  279    H    ASP  41           HN       ASP  41   0.634  -1.541  10.547
  280    HA   ASP  41           HA       ASP  41  -1.556  -0.871  10.358
  281   1HB   ASP  41           HB2      ASP  41  -1.496  -2.305  13.028
  282   2HB   ASP  41           HB3      ASP  41  -3.003  -1.639  12.388
  283    H    CYS  42           HN       CYS  42  -0.364   1.267  10.489
  284    HA   CYS  42           HA       CYS  42  -1.743   3.022  12.459
  285   1HB   CYS  42           HB2      CYS  42  -0.017   4.273  12.528
  286   2HB   CYS  42           HB3      CYS  42   0.887   2.998  11.736
  287    H    GLY  43           HN       GLY  43  -1.924   5.315  10.834
  288   1HA   GLY  43           HA2      GLY  43  -3.593   4.480   8.503
  289   2HA   GLY  43           HA3      GLY  43  -4.160   5.730   9.618
  290    H    ALA  44           HN       ALA  44  -3.978   7.459   8.248
  291    HA   ALA  44           HA       ALA  44  -3.033   9.486   7.807
  292   1HB   ALA  44           HB1      ALA  44  -0.411   8.165   8.545
  293   2HB   ALA  44           HB2      ALA  44  -0.423   9.615   7.540
  294   3HB   ALA  44           HB3      ALA  44  -1.176   9.642   9.142
  295    H    CYS  45           HN       CYS  45  -1.137   6.821   6.374
  296    HA   CYS  45           HA       CYS  45  -1.003   7.951   3.762
  297   1HB   CYS  45           HB2      CYS  45  -0.242   5.778   3.093
  298   2HB   CYS  45           HB3      CYS  45   0.518   6.292   4.585
  299    H    GLU  46           HN       GLU  46  -3.313   5.597   5.190
  300    HA   GLU  46           HA       GLU  46  -4.879   5.286   2.838
  301   1HB   GLU  46           HB2      GLU  46  -6.738   4.677   4.558
  302   2HB   GLU  46           HB3      GLU  46  -5.335   3.642   4.305
  303   1HG   GLU  46           HG2      GLU  46  -5.844   3.741   6.642
  304   2HG   GLU  46           HG3      GLU  46  -4.286   4.493   6.381
  305    H    ALA  47           HN       ALA  47  -5.239   7.657   5.495
  306    HA   ALA  47           HA       ALA  47  -7.543   8.922   4.468
  307   1HB   ALA  47           HB3      ALA  47  -6.633   9.304   6.730
  308   2HB   ALA  47           HB1      ALA  47  -5.258  10.191   6.035
  309   3HB   ALA  47           HB2      ALA  47  -6.907  10.828   5.860
  310    H    VAL  48           HN       VAL  48  -4.041   9.671   3.800
  311    HA   VAL  48           HA       VAL  48  -4.723  11.842   2.111
  312    HB   VAL  48           HB       VAL  48  -2.544  11.087   3.446
  313   1HG1  VAL  48           HG13     VAL  48  -1.853   9.344   1.812
  314   2HG1  VAL  48           HG11     VAL  48  -1.747  10.588   0.543
  315   3HG1  VAL  48           HG12     VAL  48  -0.674  10.652   1.954
  316   1HG2  VAL  48           HG23     VAL  48  -3.114  13.285   2.814
  317   2HG2  VAL  48           HG21     VAL  48  -1.421  12.964   2.392
  318   3HG2  VAL  48           HG22     VAL  48  -2.666  12.983   1.112
  319    H    CYS  49           HN       CYS  49  -4.106   8.396   1.479
  320    HA   CYS  49           HA       CYS  49  -3.655   8.506  -1.252
  321   1HB   CYS  49           HB2      CYS  49  -3.268   6.528   0.158
  322   2HB   CYS  49           HB3      CYS  49  -4.994   6.373   0.371
  323    HA   PRO  50           HA       PRO  50  -7.694   9.805  -2.796
  324   1HB   PRO  50           HB2      PRO  50  -6.865   8.231  -5.232
  325   2HB   PRO  50           HB3      PRO  50  -7.583   9.865  -5.139
  326   1HG   PRO  50           HG2      PRO  50  -4.904   9.505  -5.555
  327   2HG   PRO  50           HG3      PRO  50  -5.501  10.819  -4.496
  328   1HD   PRO  50           HD2      PRO  50  -4.331   8.159  -3.709
  329   2HD   PRO  50           HD3      PRO  50  -4.118   9.774  -2.966
  330    H    VAL  51           HN       VAL  51  -9.456   8.789  -2.016
  331    HA   VAL  51           HA       VAL  51 -11.040   7.281  -1.557
  332    HB   VAL  51           HB       VAL  51 -10.235   5.591  -3.941
  333   1HG1  VAL  51           HG13     VAL  51 -12.231   4.874  -2.609
  334   2HG1  VAL  51           HG11     VAL  51 -12.942   6.481  -2.838
  335   3HG1  VAL  51           HG12     VAL  51 -12.684   5.407  -4.225
  336   1HG2  VAL  51           HG22     VAL  51 -11.594   8.317  -4.055
  337   2HG2  VAL  51           HG23     VAL  51 -10.081   7.843  -4.864
  338   3HG2  VAL  51           HG21     VAL  51 -11.603   7.131  -5.375
  339    H    SER  52           HN       SER  52  -8.167   6.871  -0.592
  340    HA   SER  52           HA       SER  52  -6.907   5.366   0.511
  341   1HB   SER  52           HB2      SER  52  -9.549   4.105   1.270
  342   2HB   SER  52           HB3      SER  52  -8.020   4.058   2.165
  343    HG   SER  52           HOG      SER  52  -8.191   6.411   2.254
  344    H    ALA  53           HN       ALA  53  -6.685   4.736  -2.055
  345    HA   ALA  53           HA       ALA  53  -7.397   2.071  -2.790
  346   1HB   ALA  53           HB2      ALA  53  -6.424   3.828  -4.324
  347   2HB   ALA  53           HB3      ALA  53  -4.837   3.501  -3.593
  348   3HB   ALA  53           HB1      ALA  53  -5.692   2.216  -4.462
  349    H    ILE  54           HN       ILE  54  -4.862   3.362  -0.707
  350    HA   ILE  54           HA       ILE  54  -3.652   0.832   0.005
  351    HB   ILE  54           HB       ILE  54  -3.890   3.478   1.487
  352   1HG1  ILE  54           HG12     ILE  54  -1.582   2.241  -0.087
  353   2HG1  ILE  54           HG13     ILE  54  -2.632   3.570  -0.597
  354   1HG2  ILE  54           HG21     ILE  54  -2.219   1.003   2.129
  355   2HG2  ILE  54           HG22     ILE  54  -2.061   2.582   2.928
  356   3HG2  ILE  54           HG23     ILE  54  -3.550   1.670   3.102
  357   1HD1  ILE  54           HD1      ILE  54  -1.876   4.755   1.602
  358   2HD1  ILE  54           HD2      ILE  54  -0.506   3.622   1.535
  359   3HD1  ILE  54           HD3      ILE  54  -0.805   4.735   0.193
  360    H    TYR  55           HN       TYR  55  -4.938  -0.758   0.787
  361    HA   TYR  55           HA       TYR  55  -7.096  -0.102   2.746
  362   1HB   TYR  55           HB2      TYR  55  -7.098  -1.992   0.440
  363   2HB   TYR  55           HB3      TYR  55  -8.238  -2.166   1.780
  364    HD1  TYR  55           HD2      TYR  55  -9.518   0.190   2.361
  365    HD2  TYR  55           HD1      TYR  55  -7.981  -1.009  -1.485
  366    HE1  TYR  55           HE2      TYR  55 -11.145   1.682   1.230
  367    HE2  TYR  55           HE1      TYR  55  -9.722   0.324  -2.604
  368    HH   TYR  55           HOH      TYR  55 -10.978   2.943  -1.294
  369    H    HIS  56           HN       HIS  56  -7.506  -1.626   4.339
  370    HA   HIS  56           HA       HIS  56  -5.069  -2.763   5.324
  371   1HB   HIS  56           HB2      HIS  56  -6.841  -1.849   6.767
  372   2HB   HIS  56           HB3      HIS  56  -7.968  -3.080   6.204
  373    HD1  HIS  56           HND      HIS  56  -7.810  -5.463   7.398
  374    HD2  HIS  56           HD       HIS  56  -4.572  -2.878   8.112
  375    HE1  HIS  56           HE       HIS  56  -6.160  -6.744   8.864
  376    H    GLU  57           HN       GLU  57  -4.366  -4.894   5.368
  377    HA   GLU  57           HA       GLU  57  -4.701  -6.248   3.061
  378   1HB   GLU  57           HB2      GLU  57  -3.552  -8.111   4.344
  379   2HB   GLU  57           HB3      GLU  57  -2.808  -6.526   4.628
  380   1HG   GLU  57           HG2      GLU  57  -4.052  -6.437   6.775
  381   2HG   GLU  57           HG3      GLU  57  -4.608  -8.104   6.441
  382    H    ASP  58           HN       ASP  58  -6.802  -6.783   5.823
  383    HA   ASP  58           HA       ASP  58  -7.848  -9.197   4.557
  384   1HB   ASP  58           HB2      ASP  58  -7.435  -9.054   7.015
  385   2HB   ASP  58           HB3      ASP  58  -8.801  -7.928   7.133
  386    H    PHE  59           HN       PHE  59  -8.715  -5.775   4.965
  387    HA   PHE  59           HA       PHE  59 -11.496  -5.904   4.251
  388   1HB   PHE  59           HB2      PHE  59  -9.316  -3.779   4.283
  389   2HB   PHE  59           HB3      PHE  59 -10.942  -3.512   3.795
  390    HD1  PHE  59           HD1      PHE  59 -10.899  -5.785   6.641
  391    HD2  PHE  59           HD2      PHE  59 -10.649  -1.621   5.492
  392    HE1  PHE  59           HE1      PHE  59 -11.291  -5.112   8.970
  393    HE2  PHE  59           HE2      PHE  59 -11.082  -0.964   7.838
  394    HZ   PHE  59           HZ       PHE  59 -11.384  -2.704   9.586
  395    H    VAL  60           HN       VAL  60  -8.329  -5.540   2.745
  396    HA   VAL  60           HA       VAL  60  -8.927  -5.063   0.048
  397    HB   VAL  60           HB       VAL  60  -6.755  -6.429   1.640
  398   1HG1  VAL  60           HG13     VAL  60  -7.069  -8.024  -0.326
  399   2HG1  VAL  60           HG11     VAL  60  -6.782  -6.620  -1.389
  400   3HG1  VAL  60           HG12     VAL  60  -5.545  -7.163  -0.255
  401   1HG2  VAL  60           HG23     VAL  60  -6.927  -4.048   1.224
  402   2HG2  VAL  60           HG21     VAL  60  -5.511  -4.695   0.395
  403   3HG2  VAL  60           HG22     VAL  60  -6.981  -4.381  -0.537
  404    HA   PRO  61           HA       PRO  61 -11.567  -8.596  -0.655
  405   1HB   PRO  61           HB2      PRO  61 -11.508  -8.646  -3.457
  406   2HB   PRO  61           HB3      PRO  61 -12.541  -7.601  -2.459
  407   1HG   PRO  61           HG2      PRO  61  -9.989  -6.889  -3.884
  408   2HG   PRO  61           HG3      PRO  61 -11.428  -5.884  -3.596
  409   1HD   PRO  61           HD2      PRO  61  -9.052  -5.750  -2.135
  410   2HD   PRO  61           HD3      PRO  61 -10.651  -5.242  -1.501
  411    H    GLU  62           HN       GLU  62 -11.276 -10.919  -1.083
  412    HA   GLU  62           HA       GLU  62  -8.989 -12.179  -0.891
  413   1HB   GLU  62           HB2      GLU  62 -11.693 -12.627  -2.153
  414   2HB   GLU  62           HB3      GLU  62 -10.442 -13.802  -2.381
  415   1HG   GLU  62           HG2      GLU  62 -11.832 -14.347  -0.405
  416   2HG   GLU  62           HG3      GLU  62 -10.139 -14.088   0.037
  417    H    GLU  63           HN       GLU  63 -10.468 -11.103  -3.921
  418    HA   GLU  63           HA       GLU  63  -8.788 -12.024  -5.912
  419   1HB   GLU  63           HB2      GLU  63 -10.852 -10.755  -6.183
  420   2HB   GLU  63           HB3      GLU  63 -10.066  -9.275  -5.609
  421   1HG   GLU  63           HG2      GLU  63  -8.619  -9.259  -7.584
  422   2HG   GLU  63           HG3      GLU  63  -9.249 -10.836  -8.097
  423    H    TRP  64           HN       TRP  64  -8.291  -9.169  -3.806
  424    HA   TRP  64           HA       TRP  64  -5.550  -8.766  -4.880
  425   1HB   TRP  64           HB2      TRP  64  -7.429  -6.853  -3.497
  426   2HB   TRP  64           HB3      TRP  64  -5.783  -6.478  -3.995
  427    HD1  TRP  64           HD       TRP  64  -6.123  -8.084  -6.877
  428    HE1  TRP  64           HNE      TRP  64  -7.227  -6.775  -8.802
  429    HE3  TRP  64           HE       TRP  64  -8.633  -4.473  -4.216
  430    HZ2  TRP  64           HZ1      TRP  64  -9.291  -4.905  -9.127
  431    HZ3  TRP  64           HZ2      TRP  64  -9.893  -2.736  -5.480
  432    HH2  TRP  64           HH       TRP  64 -10.253  -2.967  -7.923
  433    H    LYS  65           HN       LYS  65  -6.935 -10.286  -2.253
  434    HA   LYS  65           HA       LYS  65  -4.822  -9.811  -0.379
  435   1HB   LYS  65           HB2      LYS  65  -6.899 -11.821  -0.720
  436   2HB   LYS  65           HB3      LYS  65  -5.413 -12.547  -0.117
  437   1HG   LYS  65           HG2      LYS  65  -5.334 -11.139   1.778
  438   2HG   LYS  65           HG3      LYS  65  -6.422  -9.964   1.064
  439   1HD   LYS  65           HD2      LYS  65  -7.809 -12.545   1.431
  440   2HD   LYS  65           HD3      LYS  65  -7.085 -11.951   2.942
  441   1HE   LYS  65           HE2      LYS  65  -8.080  -9.649   2.347
  442   2HE   LYS  65           HE3      LYS  65  -9.007 -10.496   1.100
  443   1HZ   LYS  65           HNZ2     LYS  65  -9.207 -11.070   4.028
  444   2HZ   LYS  65           HNZ3     LYS  65 -10.131 -10.036   3.208
  445   3HZ   LYS  65           HNZ1     LYS  65 -10.179 -11.637   2.791
  446    H    SER  66           HN       SER  66  -4.907 -11.575  -3.431
  447    HA   SER  66           HA       SER  66  -2.411 -12.734  -3.580
  448   1HB   SER  66           HB2      SER  66  -3.621 -10.922  -5.717
  449   2HB   SER  66           HB3      SER  66  -2.612 -12.366  -5.935
  450    HG   SER  66           HOG      SER  66  -5.302 -12.156  -5.594
  451    H    TYR  67           HN       TYR  67  -3.174  -9.197  -3.990
  452    HA   TYR  67           HA       TYR  67  -0.435  -8.462  -4.581
  453   1HB   TYR  67           HB2      TYR  67  -2.934  -6.908  -3.776
  454   2HB   TYR  67           HB3      TYR  67  -1.360  -6.166  -3.709
  455    HD1  TYR  67           HD2      TYR  67   0.066  -6.072  -5.842
  456    HD2  TYR  67           HD1      TYR  67  -4.115  -7.089  -5.851
  457    HE1  TYR  67           HE2      TYR  67  -0.077  -5.487  -8.255
  458    HE2  TYR  67           HE1      TYR  67  -4.260  -6.490  -8.256
  459    HH   TYR  67           HOH      TYR  67  -3.135  -5.338  -9.989
  460    H    ILE  68           HN       ILE  68  -2.435  -8.669  -1.573
  461    HA   ILE  68           HA       ILE  68  -0.561  -7.275  -0.045
  462    HB   ILE  68           HB       ILE  68  -2.745  -9.317   0.448
  463   1HG1  ILE  68           HG12     ILE  68  -3.994  -7.601   1.239
  464   2HG1  ILE  68           HG13     ILE  68  -2.611  -6.655   1.784
  465   1HG2  ILE  68           HG21     ILE  68  -1.101  -9.888   2.189
  466   2HG2  ILE  68           HG22     ILE  68  -1.129  -8.202   2.749
  467   3HG2  ILE  68           HG23     ILE  68  -2.593  -9.224   2.807
  468   1HD1  ILE  68           HD3      ILE  68  -2.127  -5.975  -0.590
  469   2HD1  ILE  68           HD1      ILE  68  -3.538  -6.895  -1.107
  470   3HD1  ILE  68           HD2      ILE  68  -3.701  -5.511  -0.045
  471    H    GLN  69           HN       GLN  69  -0.931 -10.775  -0.630
  472    HA   GLN  69           HA       GLN  69   1.468 -11.485   0.776
  473   1HB   GLN  69           HB2      GLN  69  -0.396 -12.751  -1.246
  474   2HB   GLN  69           HB3      GLN  69   1.224 -13.424  -1.116
  475   1HG   GLN  69           HG2      GLN  69  -0.485 -14.517   0.402
  476   2HG   GLN  69           HG3      GLN  69   0.989 -13.943   1.183
  477   1HE2  GLN  69           HNE2     GLN  69  -2.504 -11.866   1.962
  478   2HE2  GLN  69           HNE1     GLN  69  -2.264 -12.468   0.336
  479    H    LYS  70           HN       LYS  70   0.921 -10.383  -2.618
  480    HA   LYS  70           HA       LYS  70   3.586 -10.703  -3.442
  481   1HB   LYS  70           HB2      LYS  70   1.514  -9.932  -4.834
  482   2HB   LYS  70           HB3      LYS  70   1.878  -8.320  -4.219
  483   1HG   LYS  70           HG2      LYS  70   4.202  -8.503  -5.160
  484   2HG   LYS  70           HG3      LYS  70   3.696 -10.018  -5.938
  485   1HD   LYS  70           HD2      LYS  70   1.823  -8.738  -7.053
  486   2HD   LYS  70           HD3      LYS  70   2.434  -7.250  -6.297
  487   1HE   LYS  70           HE2      LYS  70   4.641  -7.604  -7.462
  488   2HE   LYS  70           HE3      LYS  70   3.949  -9.013  -8.285
  489   1HZ   LYS  70           HNZ3     LYS  70   2.316  -7.455  -9.268
  490   2HZ   LYS  70           HNZ1     LYS  70   3.136  -6.192  -8.560
  491   3HZ   LYS  70           HNZ2     LYS  70   3.879  -7.137  -9.656
  492    H    ASN  71           HN       ASN  71   2.190  -7.668  -1.974
  493    HA   ASN  71           HA       ASN  71   4.602  -6.265  -1.686
  494   1HB   ASN  71           HB2      ASN  71   2.019  -6.473  -0.078
  495   2HB   ASN  71           HB3      ASN  71   3.323  -5.442   0.468
  496   1HD2  ASN  71           HND2     ASN  71   1.823  -4.310  -3.201
  497   2HD2  ASN  71           HND1     ASN  71   2.173  -5.999  -2.921
  498    H    ARG  72           HN       ARG  72   3.104  -8.682   0.515
  499    HA   ARG  72           HA       ARG  72   5.192  -8.610   2.407
  500   1HB   ARG  72           HB2      ARG  72   2.801  -9.991   2.246
  501   2HB   ARG  72           HB3      ARG  72   3.978 -11.266   1.965
  502   1HG   ARG  72           HG2      ARG  72   5.208 -10.706   4.002
  503   2HG   ARG  72           HG3      ARG  72   4.204  -9.290   4.285
  504   1HD   ARG  72           HD2      ARG  72   3.164 -12.148   4.282
  505   2HD   ARG  72           HD3      ARG  72   3.632 -11.252   5.726
  506    HE   ARG  72           HNE      ARG  72   1.195 -10.987   4.151
  507   1HH1  ARG  72           HN22     ARG  72   3.302  -9.219   6.493
  508   2HH1  ARG  72           HN21     ARG  72   1.996  -8.254   7.076
  509   1HH2  ARG  72           HN12     ARG  72  -0.510  -9.754   5.055
  510   2HH2  ARG  72           HN11     ARG  72  -0.280  -8.689   6.321
  511    H    ASP  73           HN       ASP  73   4.946 -10.447  -0.666
  512    HA   ASP  73           HA       ASP  73   7.160 -12.155  -0.186
  513   1HB   ASP  73           HB2      ASP  73   5.172 -12.003  -2.072
  514   2HB   ASP  73           HB3      ASP  73   6.544 -11.432  -3.015
  515    H    PHE  74           HN       PHE  74   6.759  -9.108  -1.924
  516    HA   PHE  74           HA       PHE  74   9.286  -8.706  -3.004
  517   1HB   PHE  74           HB2      PHE  74   6.978  -7.015  -2.176
  518   2HB   PHE  74           HB3      PHE  74   8.504  -6.186  -2.128
  519    HD1  PHE  74           HD1      PHE  74   6.817  -8.652  -4.427
  520    HD2  PHE  74           HD2      PHE  74   9.172  -5.056  -4.062
  521    HE1  PHE  74           HE1      PHE  74   6.892  -8.432  -6.906
  522    HE2  PHE  74           HE2      PHE  74   9.272  -4.865  -6.514
  523    HZ   PHE  74           HZ       PHE  74   8.020  -6.468  -7.950
  524    H    PHE  75           HN       PHE  75   8.241  -8.095   0.360
  525    HA   PHE  75           HA       PHE  75  11.070  -7.443   1.075
  526   1HB   PHE  75           HB2      PHE  75   8.550  -6.610   2.517
  527   2HB   PHE  75           HB3      PHE  75  10.164  -5.938   2.643
  528    HD1  PHE  75           HD2      PHE  75  11.101  -5.034   0.208
  529    HD2  PHE  75           HD1      PHE  75   6.962  -5.396   1.347
  530    HE1  PHE  75           HE2      PHE  75  10.450  -3.517  -1.646
  531    HE2  PHE  75           HE1      PHE  75   6.313  -3.895  -0.502
  532    HZ   PHE  75           HZ       PHE  75   8.048  -2.952  -1.992
  533    H    LYS  76           HN       LYS  76   9.873 -10.289   1.025
  534    HA   LYS  76           HA       LYS  76   9.088 -10.803   3.675
  535   1HB   LYS  76           HB2      LYS  76   9.059 -12.308   1.396
  536   2HB   LYS  76           HB3      LYS  76  10.473 -12.943   2.264
  537   1HG   LYS  76           HG2      LYS  76   9.030 -14.311   3.347
  538   2HG   LYS  76           HG3      LYS  76   8.602 -12.902   4.305
  539   1HD   LYS  76           HD2      LYS  76   6.546 -13.704   3.638
  540   2HD   LYS  76           HD3      LYS  76   6.852 -12.350   2.539
  541   1HE   LYS  76           HE2      LYS  76   7.781 -14.148   0.876
  542   2HE   LYS  76           HE3      LYS  76   7.146 -15.348   2.006
  543   1HZ   LYS  76           HNZ3     LYS  76   5.003 -13.757   1.529
  544   2HZ   LYS  76           HNZ1     LYS  76   5.810 -13.767   0.070
  545   3HZ   LYS  76           HNZ2     LYS  76   5.379 -15.147   0.694
  546    H    LYS  77           HN       LYS  77  10.412 -12.686   4.845
  547    HA   LYS  77           HA       LYS  77  12.983 -11.703   5.754
  548   1HB   LYS  77           HB2      LYS  77  10.344 -11.771   7.322
  549   2HB   LYS  77           HB3      LYS  77  11.904 -11.111   7.799
  550   1HG   LYS  77           HG2      LYS  77  11.611  -9.411   5.893
  551   2HG   LYS  77           HG3      LYS  77   9.969 -10.067   5.694
  552   1HD   LYS  77           HD2      LYS  77   9.318  -9.383   7.926
  553   2HD   LYS  77           HD3      LYS  77  10.978  -8.917   8.334
  554   1HE   LYS  77           HE2      LYS  77   9.548  -6.945   7.832
  555   2HE   LYS  77           HE3      LYS  77  10.931  -7.069   6.735
  556   1HZ   LYS  77           HNZ3     LYS  77   8.214  -8.010   6.028
  557   2HZ   LYS  77           HNZ1     LYS  77   8.846  -6.549   5.613
  558   3HZ   LYS  77           HNZ2     LYS  77   9.519  -7.910   5.051
   
  No H/Q in entry =         557
  Start of MODEL    4
    1   1H    ALA   1           HN1      ALA   1  -1.498  -5.911   8.125
    2   2H    ALA   1           HN2      ALA   1  -1.846  -4.602   9.109
    3   2H    ALA   1           HN3      ALA   1  -1.846  -4.602   9.109
    4    HA   ALA   1           HA       ALA   1   0.408  -4.888   7.280
    5   1HB   ALA   1           HB1      ALA   1   1.105  -3.767   9.291
    6   2HB   ALA   1           HB2      ALA   1   1.286  -2.941   7.730
    7   3HB   ALA   1           HB3      ALA   1  -0.001  -2.431   8.862
    8    H    TYR   2           HN       TYR   2  -0.248  -1.849   6.815
    9    HA   TYR   2           HA       TYR   2  -2.758  -2.012   5.260
   10   1HB   TYR   2           HB2      TYR   2  -0.925   0.171   6.190
   11   2HB   TYR   2           HB3      TYR   2  -1.860   0.417   4.730
   12    HD1  TYR   2           HD2      TYR   2  -2.317  -0.594   8.338
   13    HD2  TYR   2           HD1      TYR   2  -4.196   0.936   4.795
   14    HE1  TYR   2           HE2      TYR   2  -4.234   0.236   9.683
   15    HE2  TYR   2           HE1      TYR   2  -5.947   2.009   6.161
   16    HH   TYR   2           HOH      TYR   2  -6.193   2.781   8.556
   17    H    VAL   3           HN       VAL   3  -2.782  -2.152   3.047
   18    HA   VAL   3           HA       VAL   3  -0.159  -2.427   1.653
   19    HB   VAL   3           HB       VAL   3  -2.324  -4.445   1.262
   20   1HG1  VAL   3           HG11     VAL   3   0.716  -4.386   1.072
   21   2HG1  VAL   3           HG12     VAL   3  -0.172  -5.906   1.068
   22   3HG1  VAL   3           HG13     VAL   3  -0.464  -4.724  -0.212
   23   1HG2  VAL   3           HG21     VAL   3  -0.473  -4.523   3.654
   24   2HG2  VAL   3           HG22     VAL   3  -2.255  -4.643   3.615
   25   3HG2  VAL   3           HG23     VAL   3  -1.253  -5.953   2.992
   26    H    ILE   4           HN       ILE   4  -0.371  -2.732  -0.615
   27    HA   ILE   4           HA       ILE   4  -1.994  -0.643  -1.685
   28    HB   ILE   4           HB       ILE   4   0.454  -1.848  -2.283
   29   1HG1  ILE   4           HG12     ILE   4   0.327  -0.827  -4.587
   30   2HG1  ILE   4           HG13     ILE   4  -1.379  -0.465  -4.316
   31   1HG2  ILE   4           HG21     ILE   4  -0.517  -3.928  -2.878
   32   2HG2  ILE   4           HG22     ILE   4  -1.302  -3.187  -4.311
   33   3HG2  ILE   4           HG23     ILE   4   0.453  -3.176  -4.158
   34   1HD1  ILE   4           HD3      ILE   4   0.944   0.511  -2.563
   35   2HD1  ILE   4           HD1      ILE   4   0.172   1.462  -3.832
   36   3HD1  ILE   4           HD2      ILE   4  -0.755   1.012  -2.401
   37    H    THR   5           HN       THR   5  -3.501  -0.866  -3.586
   38    HA   THR   5           HA       THR   5  -4.212  -3.606  -4.270
   39    HB   THR   5           HB       THR   5  -6.633  -3.083  -4.388
   40    HG1  THR   5           HOG      THR   5  -5.948  -0.808  -2.854
   41   1HG2  THR   5           HG2      THR   5  -5.762  -4.349  -2.454
   42   2HG2  THR   5           HG3      THR   5  -5.648  -2.829  -1.538
   43   3HG2  THR   5           HG1      THR   5  -7.232  -3.426  -2.087
   44    H    GLU   6           HN       GLU   6  -5.476  -3.639  -6.202
   45    HA   GLU   6           HA       GLU   6  -4.765  -2.846  -8.504
   46   1HB   GLU   6           HB2      GLU   6  -6.649  -4.209  -7.981
   47   2HB   GLU   6           HB3      GLU   6  -7.556  -2.791  -7.556
   48   1HG   GLU   6           HG2      GLU   6  -8.329  -3.325  -9.664
   49   2HG   GLU   6           HG3      GLU   6  -7.188  -2.024 -10.021
   50    HA   PRO   7           HA       PRO   7  -6.979   1.344  -9.001
   51   1HB   PRO   7           HB2      PRO   7  -7.392   2.893  -6.650
   52   2HB   PRO   7           HB3      PRO   7  -8.603   2.038  -7.640
   53   1HG   PRO   7           HG2      PRO   7  -7.193   1.075  -5.150
   54   2HG   PRO   7           HG3      PRO   7  -8.907   0.860  -5.603
   55   1HD   PRO   7           HD2      PRO   7  -7.177  -1.154  -5.908
   56   2HD   PRO   7           HD3      PRO   7  -8.345  -0.786  -7.210
   57    H    CYS   8           HN       CYS   8  -4.294   0.998  -6.681
   58    HA   CYS   8           HA       CYS   8  -3.248   3.671  -7.187
   59   1HB   CYS   8           HB2      CYS   8  -2.626   2.473  -5.190
   60   2HB   CYS   8           HB3      CYS   8  -2.041   1.134  -6.156
   61    H    ILE   9           HN       ILE   9  -3.248   0.634  -8.997
   62    HA   ILE   9           HA       ILE   9  -0.808   0.627 -10.181
   63    HB   ILE   9           HB       ILE   9  -3.415  -0.363 -11.209
   64   1HG1  ILE   9           HG12     ILE   9  -0.928  -1.695 -10.069
   65   2HG1  ILE   9           HG13     ILE   9  -2.324  -1.259  -9.077
   66   1HG2  ILE   9           HG23     ILE   9  -1.848  -0.016 -13.176
   67   2HG2  ILE   9           HG21     ILE   9  -0.623  -0.981 -12.320
   68   3HG2  ILE   9           HG22     ILE   9  -2.149  -1.714 -12.839
   69   1HD1  ILE   9           HD1      ILE   9  -3.721  -2.726 -10.594
   70   2HD1  ILE   9           HD2      ILE   9  -2.182  -3.350 -11.247
   71   3HD1  ILE   9           HD3      ILE   9  -2.543  -3.518  -9.515
   72    H    GLY  10           HN       GLY  10   0.298   1.628 -11.707
   73   1HA   GLY  10           HA2      GLY  10   0.610   3.010 -13.585
   74   2HA   GLY  10           HA3      GLY  10  -0.925   3.829 -13.270
   75    H    THR  11           HN       THR  11  -0.417   4.015 -10.322
   76    HA   THR  11           HA       THR  11   0.951   6.565 -10.501
   77    HB   THR  11           HB       THR  11  -0.140   5.337  -7.971
   78    HG1  THR  11           HOG      THR  11  -1.799   5.096  -9.347
   79   1HG2  THR  11           HG2      THR  11   1.119   7.660  -8.168
   80   2HG2  THR  11           HG3      THR  11  -0.392   8.205  -8.927
   81   3HG2  THR  11           HG1      THR  11  -0.406   7.569  -7.273
   82    H    LYS  12           HN       LYS  12   3.056   6.762 -10.256
   83    HA   LYS  12           HA       LYS  12   4.416   5.394  -7.984
   84   1HB   LYS  12           HB2      LYS  12   5.591   6.563 -10.552
   85   2HB   LYS  12           HB3      LYS  12   6.518   6.250  -9.092
   86   1HG   LYS  12           HG2      LYS  12   5.149   3.810  -9.654
   87   2HG   LYS  12           HG3      LYS  12   5.749   4.414 -11.207
   88   1HD   LYS  12           HD2      LYS  12   8.001   4.853 -10.002
   89   2HD   LYS  12           HD3      LYS  12   7.364   3.912  -8.654
   90   1HE   LYS  12           HE2      LYS  12   7.882   2.976 -11.517
   91   2HE   LYS  12           HE3      LYS  12   8.842   2.566 -10.087
   92   1HZ   LYS  12           HNZ2     LYS  12   6.809   1.356  -9.254
   93   2HZ   LYS  12           HNZ3     LYS  12   6.080   1.777 -10.660
   94   3HZ   LYS  12           HNZ1     LYS  12   7.364   0.769 -10.675
   95    H    ASP  13           HN       ASP  13   5.890   6.967  -6.966
   96    HA   ASP  13           HA       ASP  13   6.259   8.895  -5.818
   97   1HB   ASP  13           HB2      ASP  13   6.329   9.806  -8.709
   98   2HB   ASP  13           HB3      ASP  13   7.218  10.515  -7.355
   99    H    ALA  14           HN       ALA  14   3.894   8.767  -5.073
  100    HA   ALA  14           HA       ALA  14   2.996  11.578  -5.181
  101   1HB   ALA  14           HB3      ALA  14   1.314  10.308  -6.486
  102   2HB   ALA  14           HB1      ALA  14   1.125   9.166  -5.137
  103   3HB   ALA  14           HB2      ALA  14   0.645  10.862  -4.936
  104    H    SER  15           HN       SER  15   2.264  12.271  -3.090
  105    HA   SER  15           HA       SER  15   3.903  11.201  -1.075
  106   1HB   SER  15           HB2      SER  15   1.775  13.346  -0.848
  107   2HB   SER  15           HB3      SER  15   3.192  13.111   0.198
  108    HG   SER  15           HOG      SER  15   4.512  13.745  -1.367
  109    H    CYS  16           HN       CYS  16   2.392   9.009  -1.426
  110    HA   CYS  16           HA       CYS  16   1.117   8.766   1.250
  111   1HB   CYS  16           HB2      CYS  16   0.815   6.463   0.712
  112   2HB   CYS  16           HB3      CYS  16  -0.005   7.537  -0.413
  113    H    VAL  17           HN       VAL  17   4.103   8.492  -0.570
  114    HA   VAL  17           HA       VAL  17   5.680   7.721   1.777
  115    HB   VAL  17           HB       VAL  17   7.521   8.954   0.609
  116   1HG1  VAL  17           HG12     VAL  17   7.271   6.568   0.311
  117   2HG1  VAL  17           HG13     VAL  17   6.167   6.819  -1.067
  118   3HG1  VAL  17           HG11     VAL  17   7.868   7.326  -1.167
  119   1HG2  VAL  17           HG23     VAL  17   6.088  10.561  -0.702
  120   2HG2  VAL  17           HG21     VAL  17   7.323   9.724  -1.649
  121   3HG2  VAL  17           HG22     VAL  17   5.636   9.208  -1.762
  122    H    GLU  18           HN       GLU  18   7.057   9.508   2.784
  123    HA   GLU  18           HA       GLU  18   7.577  11.433   3.741
  124   1HB   GLU  18           HB2      GLU  18   5.301  12.590   2.149
  125   2HB   GLU  18           HB3      GLU  18   6.407  13.535   3.152
  126   1HG   GLU  18           HG2      GLU  18   8.272  13.006   1.705
  127   2HG   GLU  18           HG3      GLU  18   7.311  11.844   0.782
  128    H    VAL  19           HN       VAL  19   4.127  10.759   3.562
  129    HA   VAL  19           HA       VAL  19   3.532  11.973   6.144
  130    HB   VAL  19           HB       VAL  19   1.278  11.248   5.796
  131   1HG1  VAL  19           HG12     VAL  19   2.137  13.209   4.489
  132   2HG1  VAL  19           HG13     VAL  19   2.415  12.132   3.104
  133   3HG1  VAL  19           HG11     VAL  19   0.773  12.384   3.711
  134   1HG2  VAL  19           HG23     VAL  19   1.606   8.955   4.912
  135   2HG2  VAL  19           HG21     VAL  19   0.561   9.905   3.856
  136   3HG2  VAL  19           HG22     VAL  19   2.246   9.634   3.400
  137    H    CYS  20           HN       CYS  20   4.433   8.756   5.030
  138    HA   CYS  20           HA       CYS  20   3.245   7.368   7.194
  139   1HB   CYS  20           HB2      CYS  20   3.526   6.281   5.140
  140   2HB   CYS  20           HB3      CYS  20   5.242   6.658   5.106
  141    HA   PRO  21           HA       PRO  21   6.168   8.339  10.481
  142   1HB   PRO  21           HB2      PRO  21   5.313   5.501  11.161
  143   2HB   PRO  21           HB3      PRO  21   5.641   6.840  12.297
  144   1HG   PRO  21           HG2      PRO  21   3.091   6.341  11.569
  145   2HG   PRO  21           HG3      PRO  21   3.680   8.032  11.524
  146   1HD   PRO  21           HD2      PRO  21   3.348   6.103   9.239
  147   2HD   PRO  21           HD3      PRO  21   2.971   7.853   9.318
  148    H    VAL  22           HN       VAL  22   6.437   5.337   8.589
  149    HA   VAL  22           HA       VAL  22   9.332   5.127   9.306
  150    HB   VAL  22           HB       VAL  22   7.893   3.485  10.420
  151   1HG1  VAL  22           HG13     VAL  22   7.185   2.547   7.626
  152   2HG1  VAL  22           HG11     VAL  22   6.826   1.661   9.122
  153   3HG1  VAL  22           HG12     VAL  22   6.072   3.231   8.826
  154   1HG2  VAL  22           HG23     VAL  22  10.248   2.919   9.804
  155   2HG2  VAL  22           HG21     VAL  22   9.162   1.536  10.014
  156   3HG2  VAL  22           HG22     VAL  22   9.620   2.046   8.386
  157    H    ASP  23           HN       ASP  23   7.527   6.280   6.899
  158    HA   ASP  23           HA       ASP  23   7.352   5.982   4.611
  159   1HB   ASP  23           HB2      ASP  23   9.931   7.110   5.452
  160   2HB   ASP  23           HB3      ASP  23   9.869   6.521   3.788
  161    H    CYS  24           HN       CYS  24   6.941   3.573   5.173
  162    HA   CYS  24           HA       CYS  24   8.889   1.886   3.644
  163   1HB   CYS  24           HB2      CYS  24   8.074   0.028   4.770
  164   2HB   CYS  24           HB3      CYS  24   8.367   1.248   5.991
  165    HG   CYS  24           HSG      CYS  24   5.507   0.343   4.571
  166    H    ILE  25           HN       ILE  25   7.381   3.684   2.244
  167    HA   ILE  25           HA       ILE  25   5.542   1.958   0.655
  168    HB   ILE  25           HB       ILE  25   5.777   4.993   0.741
  169   1HG1  ILE  25           HG12     ILE  25   3.303   4.859   1.230
  170   2HG1  ILE  25           HG13     ILE  25   3.523   3.150   1.615
  171   1HG2  ILE  25           HG22     ILE  25   5.438   4.087  -1.567
  172   2HG2  ILE  25           HG23     ILE  25   4.012   3.203  -0.982
  173   3HG2  ILE  25           HG21     ILE  25   4.052   4.979  -0.970
  174   1HD1  ILE  25           HD1      ILE  25   5.007   5.411   2.998
  175   2HD1  ILE  25           HD2      ILE  25   3.463   4.716   3.541
  176   3HD1  ILE  25           HD3      ILE  25   4.907   3.708   3.524
  177    H    HIS  26           HN       HIS  26   6.828   1.023  -0.900
  178    HA   HIS  26           HA       HIS  26   9.122   2.545  -2.006
  179   1HB   HIS  26           HB2      HIS  26  10.452   0.877  -1.462
  180   2HB   HIS  26           HB3      HIS  26   9.302   0.478  -0.211
  181    HD1  HIS  26           HND      HIS  26  10.873  -0.845  -3.309
  182    HD2  HIS  26           HD       HIS  26   7.369  -1.484  -1.057
  183    HE1  HIS  26           HE       HIS  26   9.937  -3.110  -4.048
  184    H    GLU  27           HN       GLU  27   9.784   0.771  -4.059
  185    HA   GLU  27           HA       GLU  27   7.532   1.335  -5.780
  186   1HB   GLU  27           HB2      GLU  27  10.121   0.694  -6.955
  187   2HB   GLU  27           HB3      GLU  27   9.035   2.105  -7.156
  188   1HG   GLU  27           HG2      GLU  27  11.051   2.950  -6.394
  189   2HG   GLU  27           HG3      GLU  27  10.149   2.895  -4.891
  190    H    GLY  28           HN       GLY  28   6.437  -0.194  -6.896
  191   1HA   GLY  28           HA2      GLY  28   7.475  -3.009  -7.125
  192   2HA   GLY  28           HA3      GLY  28   5.833  -2.403  -7.459
  193    H    GLU  29           HN       GLU  29   6.629  -3.709  -9.512
  194    HA   GLU  29           HA       GLU  29   8.295  -2.610 -11.418
  195   1HB   GLU  29           HB2      GLU  29   5.642  -4.093 -11.895
  196   2HB   GLU  29           HB3      GLU  29   7.029  -3.946 -12.955
  197   1HG   GLU  29           HG2      GLU  29   7.460  -6.014 -12.101
  198   2HG   GLU  29           HG3      GLU  29   8.274  -5.092 -10.834
  199    H    ASP  30           HN       ASP  30   4.726  -2.356 -11.577
  200    HA   ASP  30           HA       ASP  30   4.851   0.003 -13.303
  201   1HB   ASP  30           HB2      ASP  30   3.171  -1.638 -13.805
  202   2HB   ASP  30           HB3      ASP  30   2.589  -1.697 -12.128
  203    H    GLN  31           HN       GLN  31   3.372  -0.817 -10.219
  204    HA   GLN  31           HA       GLN  31   3.045   2.048  -9.543
  205   1HB   GLN  31           HB2      GLN  31   1.433   1.163  -7.851
  206   2HB   GLN  31           HB3      GLN  31   1.100   0.819  -9.531
  207   1HG   GLN  31           HG2      GLN  31   1.705  -1.479  -9.364
  208   2HG   GLN  31           HG3      GLN  31   2.510  -1.209  -7.819
  209   1HE2  GLN  31           HNE2     GLN  31  -1.288  -0.848  -6.741
  210   2HE2  GLN  31           HNE1     GLN  31  -0.239   0.469  -7.178
  211    H    TYR  32           HN       TYR  32   2.797   1.949  -6.811
  212    HA   TYR  32           HA       TYR  32   5.463   1.223  -5.728
  213   1HB   TYR  32           HB2      TYR  32   3.115   2.848  -4.660
  214   2HB   TYR  32           HB3      TYR  32   4.503   2.299  -3.724
  215    HD1  TYR  32           HD2      TYR  32   6.292   3.117  -6.504
  216    HD2  TYR  32           HD1      TYR  32   3.780   5.043  -3.574
  217    HE1  TYR  32           HE2      TYR  32   7.902   4.980  -6.340
  218    HE2  TYR  32           HE1      TYR  32   5.382   6.924  -3.450
  219    HH   TYR  32           HOH      TYR  32   8.064   7.266  -5.597
  220    H    TYR  33           HN       TYR  33   5.483   0.121  -3.661
  221    HA   TYR  33           HA       TYR  33   2.984  -1.308  -2.885
  222   1HB   TYR  33           HB2      TYR  33   5.825  -2.417  -2.732
  223   2HB   TYR  33           HB3      TYR  33   4.429  -3.202  -2.095
  224    HD1  TYR  33           HD1      TYR  33   2.465  -2.637  -4.376
  225    HD2  TYR  33           HD2      TYR  33   6.523  -4.059  -4.377
  226    HE1  TYR  33           HE1      TYR  33   2.135  -3.504  -6.593
  227    HE2  TYR  33           HE2      TYR  33   6.129  -5.042  -6.616
  228    HH   TYR  33           HOH      TYR  33   4.755  -4.922  -8.432
  229    H    ILE  34           HN       ILE  34   3.332  -2.135  -0.633
  230    HA   ILE  34           HA       ILE  34   4.725  -0.124   1.062
  231    HB   ILE  34           HB       ILE  34   2.056  -1.465   1.665
  232   1HG1  ILE  34           HG12     ILE  34   2.731   1.358   0.760
  233   2HG1  ILE  34           HG13     ILE  34   1.745   0.176  -0.091
  234   1HG2  ILE  34           HG22     ILE  34   3.422  -1.013   3.725
  235   2HG2  ILE  34           HG23     ILE  34   3.613   0.672   3.206
  236   3HG2  ILE  34           HG21     ILE  34   2.027   0.027   3.657
  237   1HD1  ILE  34           HD1      ILE  34   0.069   0.236   1.737
  238   2HD1  ILE  34           HD2      ILE  34   0.972   1.592   2.476
  239   3HD1  ILE  34           HD3      ILE  34   0.303   1.757   0.852
  240    H    ASP  35           HN       ASP  35   5.908  -1.128   2.661
  241    HA   ASP  35           HA       ASP  35   6.284  -3.976   2.497
  242   1HB   ASP  35           HB2      ASP  35   7.526  -1.920   4.302
  243   2HB   ASP  35           HB3      ASP  35   8.166  -3.526   3.984
  244    HA   PRO  36           HA       PRO  36   3.080  -3.489   5.735
  245   1HB   PRO  36           HB2      PRO  36   1.885  -6.078   5.503
  246   2HB   PRO  36           HB3      PRO  36   1.351  -4.515   4.855
  247   1HG   PRO  36           HG2      PRO  36   2.410  -6.799   3.375
  248   2HG   PRO  36           HG3      PRO  36   2.068  -5.172   2.729
  249   1HD   PRO  36           HD2      PRO  36   4.666  -6.325   3.679
  250   2HD   PRO  36           HD3      PRO  36   4.377  -5.191   2.372
  251    H    ASP  37           HN       ASP  37   5.673  -5.613   5.741
  252    HA   ASP  37           HA       ASP  37   5.121  -6.766   8.384
  253   1HB   ASP  37           HB2      ASP  37   6.464  -7.685   6.145
  254   2HB   ASP  37           HB3      ASP  37   7.788  -7.184   7.212
  255    H    VAL  38           HN       VAL  38   6.524  -3.992   6.886
  256    HA   VAL  38           HA       VAL  38   8.131  -3.246   9.271
  257    HB   VAL  38           HB       VAL  38   7.837  -2.102   6.475
  258   1HG1  VAL  38           HG12     VAL  38   9.237  -0.930   8.891
  259   2HG1  VAL  38           HG13     VAL  38   9.561  -0.436   7.214
  260   3HG1  VAL  38           HG11     VAL  38   7.939  -0.211   7.895
  261   1HG2  VAL  38           HG21     VAL  38   9.328  -4.074   6.681
  262   2HG2  VAL  38           HG22     VAL  38  10.234  -2.603   6.304
  263   3HG2  VAL  38           HG23     VAL  38  10.239  -3.246   7.961
  264    H    CYS  39           HN       CYS  39   5.427  -2.077   7.145
  265    HA   CYS  39           HA       CYS  39   4.583   0.093   8.684
  266   1HB   CYS  39           HB2      CYS  39   3.640  -0.585   6.453
  267   2HB   CYS  39           HB3      CYS  39   3.036  -1.982   7.238
  268    H    ILE  40           HN       ILE  40   3.240   0.306  10.457
  269    HA   ILE  40           HA       ILE  40   3.159  -2.067  12.283
  270    HB   ILE  40           HB       ILE  40   3.320  -0.433  14.080
  271   1HG1  ILE  40           HG12     ILE  40   2.600   1.599  12.779
  272   2HG1  ILE  40           HG13     ILE  40   3.897   1.769  13.951
  273   1HG2  ILE  40           HG22     ILE  40   5.257  -1.716  13.389
  274   2HG2  ILE  40           HG23     ILE  40   5.697  -0.477  12.202
  275   3HG2  ILE  40           HG21     ILE  40   5.737  -0.101  13.936
  276   1HD1  ILE  40           HD3      ILE  40   4.358   1.613  10.952
  277   2HD1  ILE  40           HD1      ILE  40   4.334   3.072  11.938
  278   3HD1  ILE  40           HD2      ILE  40   5.589   1.850  12.199
  279    H    ASP  41           HN       ASP  41   1.046  -1.538  10.389
  280    HA   ASP  41           HA       ASP  41  -1.206  -0.974  10.278
  281   1HB   ASP  41           HB2      ASP  41  -0.923  -2.500  12.895
  282   2HB   ASP  41           HB3      ASP  41  -2.507  -1.989  12.297
  283    H    CYS  42           HN       CYS  42  -0.049   1.282  10.660
  284    HA   CYS  42           HA       CYS  42  -1.412   2.697  12.880
  285   1HB   CYS  42           HB2      CYS  42   0.075   4.261  12.757
  286   2HB   CYS  42           HB3      CYS  42   1.087   3.010  12.064
  287    H    GLY  43           HN       GLY  43  -2.056   5.111  11.759
  288   1HA   GLY  43           HA2      GLY  43  -3.602   4.620   9.310
  289   2HA   GLY  43           HA3      GLY  43  -4.521   5.186  10.718
  290    H    ALA  44           HN       ALA  44  -3.423   6.327   8.029
  291    HA   ALA  44           HA       ALA  44  -3.413   9.034   8.542
  292   1HB   ALA  44           HB2      ALA  44  -0.557   7.936   8.463
  293   2HB   ALA  44           HB3      ALA  44  -0.981   9.627   8.133
  294   3HB   ALA  44           HB1      ALA  44  -1.284   8.945   9.731
  295    H    CYS  45           HN       CYS  45  -1.518   6.637   6.706
  296    HA   CYS  45           HA       CYS  45  -1.305   8.058   4.303
  297   1HB   CYS  45           HB2      CYS  45  -0.556   5.914   3.399
  298   2HB   CYS  45           HB3      CYS  45   0.196   6.385   4.905
  299    H    GLU  46           HN       GLU  46  -3.842   5.740   5.359
  300    HA   GLU  46           HA       GLU  46  -5.142   5.465   2.851
  301   1HB   GLU  46           HB2      GLU  46  -7.080   4.790   4.095
  302   2HB   GLU  46           HB3      GLU  46  -5.641   3.969   4.695
  303   1HG   GLU  46           HG2      GLU  46  -6.817   6.417   6.119
  304   2HG   GLU  46           HG3      GLU  46  -7.474   4.803   6.326
  305    H    ALA  47           HN       ALA  47  -5.218   8.090   5.220
  306    HA   ALA  47           HA       ALA  47  -7.719   9.188   4.332
  307   1HB   ALA  47           HB2      ALA  47  -6.729   9.654   6.563
  308   2HB   ALA  47           HB3      ALA  47  -5.429  10.584   5.782
  309   3HB   ALA  47           HB1      ALA  47  -7.108  11.139   5.666
  310    H    VAL  48           HN       VAL  48  -4.331   9.635   3.334
  311    HA   VAL  48           HA       VAL  48  -5.077  11.921   1.598
  312    HB   VAL  48           HB       VAL  48  -2.713  12.109   1.113
  313   1HG1  VAL  48           HG13     VAL  48  -3.528  12.075   4.050
  314   2HG1  VAL  48           HG11     VAL  48  -2.011  12.774   3.461
  315   3HG1  VAL  48           HG12     VAL  48  -3.561  13.438   2.913
  316   1HG2  VAL  48           HG23     VAL  48  -2.115   9.624   1.546
  317   2HG2  VAL  48           HG21     VAL  48  -0.998  10.869   2.096
  318   3HG2  VAL  48           HG22     VAL  48  -2.076  10.081   3.266
  319    H    CYS  49           HN       CYS  49  -4.174   8.458   1.327
  320    HA   CYS  49           HA       CYS  49  -3.558   8.465  -1.378
  321   1HB   CYS  49           HB2      CYS  49  -3.237   6.535   0.102
  322   2HB   CYS  49           HB3      CYS  49  -4.967   6.339   0.188
  323    HA   PRO  50           HA       PRO  50  -7.514   9.607  -3.237
  324   1HB   PRO  50           HB2      PRO  50  -6.465   7.981  -5.551
  325   2HB   PRO  50           HB3      PRO  50  -7.236   9.593  -5.569
  326   1HG   PRO  50           HG2      PRO  50  -4.523   9.303  -5.780
  327   2HG   PRO  50           HG3      PRO  50  -5.234  10.639  -4.824
  328   1HD   PRO  50           HD2      PRO  50  -4.038   8.060  -3.847
  329   2HD   PRO  50           HD3      PRO  50  -3.942   9.706  -3.149
  330    H    VAL  51           HN       VAL  51  -9.334   8.571  -2.657
  331    HA   VAL  51           HA       VAL  51 -10.896   7.019  -2.268
  332    HB   VAL  51           HB       VAL  51  -9.737   5.221  -4.417
  333   1HG1  VAL  51           HG12     VAL  51 -12.591   6.036  -3.689
  334   2HG1  VAL  51           HG13     VAL  51 -12.129   4.905  -4.975
  335   3HG1  VAL  51           HG11     VAL  51 -11.842   4.478  -3.292
  336   1HG2  VAL  51           HG23     VAL  51 -11.183   7.867  -4.871
  337   2HG2  VAL  51           HG21     VAL  51  -9.570   7.412  -5.471
  338   3HG2  VAL  51           HG22     VAL  51 -10.995   6.600  -6.102
  339    H    SER  52           HN       SER  52  -8.073   6.763  -0.999
  340    HA   SER  52           HA       SER  52  -6.901   5.360   0.315
  341   1HB   SER  52           HB2      SER  52  -8.905   5.554   1.653
  342   2HB   SER  52           HB3      SER  52  -9.615   4.134   0.844
  343    HG   SER  52           HOG      SER  52  -7.616   3.017   1.641
  344    H    ALA  53           HN       ALA  53  -6.502   4.681  -2.287
  345    HA   ALA  53           HA       ALA  53  -7.070   1.976  -2.977
  346   1HB   ALA  53           HB1      ALA  53  -6.035   3.647  -4.534
  347   2HB   ALA  53           HB2      ALA  53  -4.514   3.507  -3.626
  348   3HB   ALA  53           HB3      ALA  53  -5.158   2.102  -4.474
  349    H    ILE  54           HN       ILE  54  -4.739   3.384  -0.740
  350    HA   ILE  54           HA       ILE  54  -3.476   0.902   0.023
  351    HB   ILE  54           HB       ILE  54  -3.878   3.532   1.505
  352   1HG1  ILE  54           HG12     ILE  54  -1.514   2.442  -0.083
  353   2HG1  ILE  54           HG13     ILE  54  -2.595   3.721  -0.588
  354   1HG2  ILE  54           HG23     ILE  54  -2.205   1.057   2.127
  355   2HG2  ILE  54           HG21     ILE  54  -1.935   2.631   2.910
  356   3HG2  ILE  54           HG22     ILE  54  -3.482   1.824   3.088
  357   1HD1  ILE  54           HD1      ILE  54  -1.769   4.645   1.902
  358   2HD1  ILE  54           HD2      ILE  54  -0.296   3.958   1.179
  359   3HD1  ILE  54           HD3      ILE  54  -1.221   5.198   0.320
  360    H    TYR  55           HN       TYR  55  -4.654  -0.787   0.860
  361    HA   TYR  55           HA       TYR  55  -6.807  -0.240   2.829
  362   1HB   TYR  55           HB2      TYR  55  -6.809  -2.079   0.479
  363   2HB   TYR  55           HB3      TYR  55  -7.927  -2.300   1.828
  364    HD1  TYR  55           HD2      TYR  55  -9.162   0.087   2.509
  365    HD2  TYR  55           HD1      TYR  55  -7.920  -1.201  -1.410
  366    HE1  TYR  55           HE2      TYR  55 -10.845   1.582   1.478
  367    HE2  TYR  55           HE1      TYR  55  -9.607   0.290  -2.437
  368    HH   TYR  55           HOH      TYR  55 -10.700   2.738  -1.437
  369    H    HIS  56           HN       HIS  56  -7.168  -1.922   4.336
  370    HA   HIS  56           HA       HIS  56  -4.632  -3.052   5.164
  371   1HB   HIS  56           HB2      HIS  56  -6.281  -2.031   6.714
  372   2HB   HIS  56           HB3      HIS  56  -7.430  -3.320   6.334
  373    HD1  HIS  56           HND      HIS  56  -7.154  -5.537   7.758
  374    HD2  HIS  56           HD       HIS  56  -3.806  -3.005   7.753
  375    HE1  HIS  56           HE       HIS  56  -5.317  -6.764   9.031
  376    H    GLU  57           HN       GLU  57  -4.030  -5.262   5.257
  377    HA   GLU  57           HA       GLU  57  -4.722  -6.768   3.102
  378   1HB   GLU  57           HB2      GLU  57  -3.576  -8.623   4.405
  379   2HB   GLU  57           HB3      GLU  57  -2.669  -7.122   4.173
  380   1HG   GLU  57           HG2      GLU  57  -3.398  -6.618   6.593
  381   2HG   GLU  57           HG3      GLU  57  -3.860  -8.335   6.628
  382    H    ASP  58           HN       ASP  58  -6.497  -6.725   6.082
  383    HA   ASP  58           HA       ASP  58  -7.879  -9.252   5.671
  384   1HB   ASP  58           HB2      ASP  58  -7.583  -8.272   7.913
  385   2HB   ASP  58           HB3      ASP  58  -8.544  -6.853   7.441
  386    H    PHE  59           HN       PHE  59  -8.693  -5.761   5.340
  387    HA   PHE  59           HA       PHE  59 -11.357  -5.974   4.476
  388   1HB   PHE  59           HB2      PHE  59  -9.178  -3.874   4.167
  389   2HB   PHE  59           HB3      PHE  59 -10.876  -3.630   3.898
  390    HD1  PHE  59           HD2      PHE  59 -10.912  -5.649   6.781
  391    HD2  PHE  59           HD1      PHE  59  -9.887  -1.653   5.467
  392    HE1  PHE  59           HE2      PHE  59 -10.932  -4.883   9.097
  393    HE2  PHE  59           HE1      PHE  59  -9.970  -0.879   7.817
  394    HZ   PHE  59           HZ       PHE  59 -10.464  -2.492   9.644
  395    H    VAL  60           HN       VAL  60  -8.205  -5.867   2.942
  396    HA   VAL  60           HA       VAL  60  -8.796  -5.251   0.292
  397    HB   VAL  60           HB       VAL  60  -6.709  -6.879   1.699
  398   1HG1  VAL  60           HG13     VAL  60  -7.160  -6.911  -1.317
  399   2HG1  VAL  60           HG11     VAL  60  -5.608  -7.220  -0.564
  400   3HG1  VAL  60           HG12     VAL  60  -6.953  -8.307  -0.231
  401   1HG2  VAL  60           HG21     VAL  60  -6.909  -4.338   1.342
  402   2HG2  VAL  60           HG22     VAL  60  -5.400  -5.070   0.806
  403   3HG2  VAL  60           HG23     VAL  60  -6.697  -4.731  -0.389
  404    HA   PRO  61           HA       PRO  61 -11.664  -8.515  -0.754
  405   1HB   PRO  61           HB2      PRO  61 -11.257  -8.255  -3.600
  406   2HB   PRO  61           HB3      PRO  61 -12.595  -7.614  -2.620
  407   1HG   PRO  61           HG2      PRO  61 -10.360  -6.186  -3.810
  408   2HG   PRO  61           HG3      PRO  61 -11.767  -5.512  -2.953
  409   1HD   PRO  61           HD2      PRO  61  -9.048  -5.704  -1.976
  410   2HD   PRO  61           HD3      PRO  61 -10.511  -5.124  -1.118
  411    H    GLU  62           HN       GLU  62 -11.481 -10.783  -1.329
  412    HA   GLU  62           HA       GLU  62  -9.225 -12.160  -1.166
  413   1HB   GLU  62           HB2      GLU  62 -11.974 -12.449  -2.398
  414   2HB   GLU  62           HB3      GLU  62 -10.788 -13.685  -2.638
  415   1HG   GLU  62           HG2      GLU  62 -12.197 -14.121  -0.614
  416   2HG   GLU  62           HG3      GLU  62 -10.478 -13.968  -0.211
  417    H    GLU  63           HN       GLU  63 -10.656 -10.969  -4.195
  418    HA   GLU  63           HA       GLU  63  -8.905 -11.949  -6.100
  419   1HB   GLU  63           HB2      GLU  63 -10.891 -10.572  -6.520
  420   2HB   GLU  63           HB3      GLU  63 -10.023  -9.120  -5.974
  421   1HG   GLU  63           HG2      GLU  63  -8.369  -9.470  -7.796
  422   2HG   GLU  63           HG3      GLU  63  -9.252 -10.907  -8.330
  423    H    TRP  64           HN       TRP  64  -8.412  -9.128  -3.951
  424    HA   TRP  64           HA       TRP  64  -5.658  -8.708  -4.984
  425   1HB   TRP  64           HB2      TRP  64  -7.568  -6.877  -3.516
  426   2HB   TRP  64           HB3      TRP  64  -5.950  -6.428  -4.009
  427    HD1  TRP  64           HD       TRP  64  -6.565  -8.232  -6.878
  428    HE1  TRP  64           HNE      TRP  64  -8.210  -7.362  -8.629
  429    HE3  TRP  64           HE       TRP  64  -8.626  -4.319  -4.253
  430    HZ2  TRP  64           HZ1      TRP  64  -9.961  -5.211  -8.967
  431    HZ3  TRP  64           HZ2      TRP  64 -10.156  -2.760  -5.441
  432    HH2  TRP  64           HH       TRP  64 -10.860  -3.263  -7.797
  433    H    LYS  65           HN       LYS  65  -7.114 -10.242  -2.401
  434    HA   LYS  65           HA       LYS  65  -5.045 -10.061  -0.454
  435   1HB   LYS  65           HB2      LYS  65  -6.705 -12.454  -1.242
  436   2HB   LYS  65           HB3      LYS  65  -5.467 -12.425   0.020
  437   1HG   LYS  65           HG2      LYS  65  -6.557 -10.355   0.956
  438   2HG   LYS  65           HG3      LYS  65  -7.919 -10.606  -0.124
  439   1HD   LYS  65           HD2      LYS  65  -8.534 -12.670   1.044
  440   2HD   LYS  65           HD3      LYS  65  -6.932 -12.755   1.797
  441   1HE   LYS  65           HE2      LYS  65  -8.288 -11.927   3.533
  442   2HE   LYS  65           HE3      LYS  65  -7.367 -10.560   2.881
  443   1HZ   LYS  65           HNZ3     LYS  65  -9.377  -9.899   1.679
  444   2HZ   LYS  65           HNZ1     LYS  65 -10.200 -11.191   2.268
  445   3HZ   LYS  65           HNZ2     LYS  65  -9.684  -9.961   3.267
  446    H    SER  66           HN       SER  66  -5.099 -11.526  -3.724
  447    HA   SER  66           HA       SER  66  -2.612 -12.742  -3.859
  448   1HB   SER  66           HB2      SER  66  -3.823 -10.959  -6.017
  449   2HB   SER  66           HB3      SER  66  -2.759 -12.363  -6.218
  450    HG   SER  66           HOG      SER  66  -5.471 -12.236  -5.803
  451    H    TYR  67           HN       TYR  67  -3.295  -9.206  -4.406
  452    HA   TYR  67           HA       TYR  67  -0.499  -8.506  -4.881
  453   1HB   TYR  67           HB2      TYR  67  -2.965  -6.925  -3.947
  454   2HB   TYR  67           HB3      TYR  67  -1.402  -6.190  -4.125
  455    HD1  TYR  67           HD1      TYR  67  -0.358  -7.014  -6.709
  456    HD2  TYR  67           HD2      TYR  67  -4.441  -6.222  -5.591
  457    HE1  TYR  67           HE1      TYR  67  -0.949  -6.623  -9.088
  458    HE2  TYR  67           HE2      TYR  67  -5.022  -5.857  -7.961
  459    HH   TYR  67           HOH      TYR  67  -4.206  -5.579 -10.101
  460    H    ILE  68           HN       ILE  68  -2.670  -8.521  -1.985
  461    HA   ILE  68           HA       ILE  68  -0.765  -7.307  -0.405
  462    HB   ILE  68           HB       ILE  68  -3.115  -9.160  -0.026
  463   1HG1  ILE  68           HG12     ILE  68  -4.155  -7.348   0.911
  464   2HG1  ILE  68           HG13     ILE  68  -2.663  -6.567   1.372
  465   1HG2  ILE  68           HG23     ILE  68  -1.394  -8.359   2.335
  466   2HG2  ILE  68           HG21     ILE  68  -3.032  -9.068   2.376
  467   3HG2  ILE  68           HG22     ILE  68  -1.694 -10.013   1.751
  468   1HD1  ILE  68           HD1      ILE  68  -3.708  -6.690  -1.494
  469   2HD1  ILE  68           HD2      ILE  68  -3.757  -5.303  -0.424
  470   3HD1  ILE  68           HD3      ILE  68  -2.226  -5.890  -0.993
  471    H    GLN  69           HN       GLN  69  -1.325 -10.793  -0.976
  472    HA   GLN  69           HA       GLN  69   0.926 -11.713   0.487
  473   1HB   GLN  69           HB2      GLN  69  -0.912 -12.799  -1.604
  474   2HB   GLN  69           HB3      GLN  69   0.709 -13.468  -1.647
  475   1HG   GLN  69           HG2      GLN  69  -0.850 -14.763  -0.181
  476   2HG   GLN  69           HG3      GLN  69   0.628 -14.209   0.608
  477   1HE2  GLN  69           HNE2     GLN  69  -2.834 -12.225   1.700
  478   2HE2  GLN  69           HNE1     GLN  69  -2.568 -12.536  -0.006
  479    H    LYS  70           HN       LYS  70   0.715 -10.412  -2.855
  480    HA   LYS  70           HA       LYS  70   3.407 -10.877  -3.518
  481   1HB   LYS  70           HB2      LYS  70   1.480  -9.992  -5.039
  482   2HB   LYS  70           HB3      LYS  70   1.873  -8.408  -4.395
  483   1HG   LYS  70           HG2      LYS  70   4.241  -8.654  -5.120
  484   2HG   LYS  70           HG3      LYS  70   3.817 -10.192  -5.890
  485   1HD   LYS  70           HD2      LYS  70   2.128  -8.977  -7.295
  486   2HD   LYS  70           HD3      LYS  70   2.607  -7.452  -6.510
  487   1HE   LYS  70           HE2      LYS  70   4.967  -7.823  -7.316
  488   2HE   LYS  70           HE3      LYS  70   4.421  -9.268  -8.187
  489   1HZ   LYS  70           HNZ3     LYS  70   2.978  -7.784  -9.489
  490   2HZ   LYS  70           HNZ1     LYS  70   3.581  -6.481  -8.656
  491   3HZ   LYS  70           HNZ2     LYS  70   4.566  -7.374  -9.599
  492    H    ASN  71           HN       ASN  71   2.055  -7.789  -2.109
  493    HA   ASN  71           HA       ASN  71   4.572  -6.540  -1.680
  494   1HB   ASN  71           HB2      ASN  71   1.911  -6.494  -0.181
  495   2HB   ASN  71           HB3      ASN  71   3.258  -5.462   0.265
  496   1HD2  ASN  71           HND2     ASN  71   1.655  -4.565  -3.427
  497   2HD2  ASN  71           HND1     ASN  71   1.906  -6.246  -3.029
  498    H    ARG  72           HN       ARG  72   2.758  -8.894   0.308
  499    HA   ARG  72           HA       ARG  72   4.671  -8.932   2.407
  500   1HB   ARG  72           HB2      ARG  72   2.212 -10.204   1.891
  501   2HB   ARG  72           HB3      ARG  72   3.369 -11.530   1.960
  502   1HG   ARG  72           HG2      ARG  72   4.071 -10.906   4.159
  503   2HG   ARG  72           HG3      ARG  72   3.319  -9.318   4.008
  504   1HD   ARG  72           HD2      ARG  72   1.167 -11.164   3.709
  505   2HD   ARG  72           HD3      ARG  72   2.131 -11.780   5.039
  506    HE   ARG  72           HNE      ARG  72   0.302  -9.608   5.225
  507   1HH1  ARG  72           HN22     ARG  72   3.595 -10.373   6.115
  508   2HH1  ARG  72           HN21     ARG  72   3.796  -9.210   7.353
  509   1HH2  ARG  72           HN12     ARG  72   0.339  -8.089   6.952
  510   2HH2  ARG  72           HN11     ARG  72   1.832  -7.780   7.797
  511    H    ASP  73           HN       ASP  73   4.529 -10.788  -0.651
  512    HA   ASP  73           HA       ASP  73   6.553 -12.658  -0.076
  513   1HB   ASP  73           HB2      ASP  73   4.802 -12.266  -2.135
  514   2HB   ASP  73           HB3      ASP  73   6.288 -11.731  -2.895
  515    H    PHE  74           HN       PHE  74   6.580  -9.502  -1.624
  516    HA   PHE  74           HA       PHE  74   9.248  -9.189  -2.360
  517   1HB   PHE  74           HB2      PHE  74   6.966  -7.428  -1.624
  518   2HB   PHE  74           HB3      PHE  74   8.515  -6.701  -1.371
  519    HD1  PHE  74           HD1      PHE  74   7.062  -8.957  -4.046
  520    HD2  PHE  74           HD2      PHE  74   9.125  -5.291  -3.112
  521    HE1  PHE  74           HE1      PHE  74   7.190  -8.404  -6.466
  522    HE2  PHE  74           HE2      PHE  74   9.162  -4.700  -5.527
  523    HZ   PHE  74           HZ       PHE  74   8.116  -6.187  -7.187
  524    H    PHE  75           HN       PHE  75   7.887  -8.959   0.942
  525    HA   PHE  75           HA       PHE  75  10.657  -8.589   2.019
  526   1HB   PHE  75           HB2      PHE  75   8.023  -7.504   3.080
  527   2HB   PHE  75           HB3      PHE  75   9.636  -7.181   3.684
  528    HD1  PHE  75           HD2      PHE  75  11.341  -6.066   2.024
  529    HD2  PHE  75           HD1      PHE  75   7.059  -6.027   1.520
  530    HE1  PHE  75           HE2      PHE  75  11.515  -4.081   0.543
  531    HE2  PHE  75           HE1      PHE  75   7.261  -4.095  -0.022
  532    HZ   PHE  75           HZ       PHE  75   9.471  -3.091  -0.407
  533    H    LYS  76           HN       LYS  76   9.356 -11.235   1.649
  534    HA   LYS  76           HA       LYS  76   8.271 -11.784   4.296
  535   1HB   LYS  76           HB2      LYS  76   7.740 -12.800   1.823
  536   2HB   LYS  76           HB3      LYS  76   8.861 -13.987   2.521
  537   1HG   LYS  76           HG2      LYS  76   7.250 -14.901   3.815
  538   2HG   LYS  76           HG3      LYS  76   6.829 -13.341   4.508
  539   1HD   LYS  76           HD2      LYS  76   4.850 -14.159   3.460
  540   2HD   LYS  76           HD3      LYS  76   5.473 -12.805   2.500
  541   1HE   LYS  76           HE2      LYS  76   6.638 -14.598   1.026
  542   2HE   LYS  76           HE3      LYS  76   5.682 -15.796   1.890
  543   1HZ   LYS  76           HNZ3     LYS  76   4.539 -13.522   0.378
  544   2HZ   LYS  76           HNZ1     LYS  76   4.826 -14.950  -0.270
  545   3HZ   LYS  76           HNZ2     LYS  76   3.714 -14.842   0.960
  546    H    LYS  77           HN       LYS  77   8.986 -13.375   5.587
  547    HA   LYS  77           HA       LYS  77  11.462 -14.506   6.191
  548   1HB   LYS  77           HB2      LYS  77  11.757 -12.490   7.695
  549   2HB   LYS  77           HB3      LYS  77  12.224 -12.256   6.003
  550   1HG   LYS  77           HG2      LYS  77  10.846 -10.575   5.723
  551   2HG   LYS  77           HG3      LYS  77   9.444 -11.414   6.312
  552   1HD   LYS  77           HD2      LYS  77  11.496  -9.919   8.009
  553   2HD   LYS  77           HD3      LYS  77   9.864  -9.381   7.611
  554   1HE   LYS  77           HE2      LYS  77  10.622 -11.731   9.432
  555   2HE   LYS  77           HE3      LYS  77   9.862 -10.194   9.871
  556   1HZ   LYS  77           HNZ3     LYS  77   7.972 -10.799   8.595
  557   2HZ   LYS  77           HNZ1     LYS  77   8.596 -12.286   8.210
  558   3HZ   LYS  77           HNZ2     LYS  77   8.246 -11.918   9.763
   
  No H/Q in entry =         557
  Start of MODEL    5
    1   1H    ALA   1           HN1      ALA   1  -1.947  -5.689   8.258
    2   2H    ALA   1           HN2      ALA   1  -2.279  -4.355   9.248
    3   2H    ALA   1           HN3      ALA   1  -2.279  -4.355   9.248
    4    HA   ALA   1           HA       ALA   1  -0.189  -4.602   7.256
    5   1HB   ALA   1           HB3      ALA   1   0.621  -3.616   9.378
    6   2HB   ALA   1           HB1      ALA   1   0.871  -2.823   7.811
    7   3HB   ALA   1           HB2      ALA   1  -0.376  -2.201   8.926
    8    H    TYR   2           HN       TYR   2  -0.505  -1.652   6.728
    9    HA   TYR   2           HA       TYR   2  -3.130  -1.625   5.287
   10   1HB   TYR   2           HB2      TYR   2  -1.282   0.484   6.327
   11   2HB   TYR   2           HB3      TYR   2  -2.121   0.797   4.821
   12    HD1  TYR   2           HD1      TYR   2  -4.603   0.849   4.681
   13    HD2  TYR   2           HD2      TYR   2  -2.521   0.521   8.425
   14    HE1  TYR   2           HE1      TYR   2  -6.544   1.846   5.850
   15    HE2  TYR   2           HE2      TYR   2  -4.515   1.403   9.619
   16    HH   TYR   2           HOH      TYR   2  -6.528   3.352   8.172
   17    H    VAL   3           HN       VAL   3  -3.027  -2.169   3.198
   18    HA   VAL   3           HA       VAL   3  -0.326  -2.247   1.883
   19    HB   VAL   3           HB       VAL   3  -2.327  -4.446   1.545
   20   1HG1  VAL   3           HG13     VAL   3   0.728  -4.216   1.514
   21   2HG1  VAL   3           HG11     VAL   3  -0.128  -5.755   1.443
   22   3HG1  VAL   3           HG12     VAL   3  -0.346  -4.583   0.142
   23   1HG2  VAL   3           HG22     VAL   3  -0.591  -4.076   3.971
   24   2HG2  VAL   3           HG23     VAL   3  -2.323  -4.483   3.894
   25   3HG2  VAL   3           HG21     VAL   3  -1.103  -5.680   3.431
   26    H    ILE   4           HN       ILE   4  -0.370  -2.610  -0.382
   27    HA   ILE   4           HA       ILE   4  -2.086  -0.756  -1.658
   28    HB   ILE   4           HB       ILE   4   0.374  -1.936  -2.215
   29   1HG1  ILE   4           HG12     ILE   4   0.161  -1.193  -4.583
   30   2HG1  ILE   4           HG13     ILE   4  -1.571  -0.959  -4.400
   31   1HG2  ILE   4           HG23     ILE   4  -0.509  -4.089  -2.509
   32   2HG2  ILE   4           HG21     ILE   4  -1.408  -3.583  -3.971
   33   3HG2  ILE   4           HG22     ILE   4   0.340  -3.453  -3.941
   34   1HD1  ILE   4           HD2      ILE   4   0.524   0.513  -2.732
   35   2HD1  ILE   4           HD3      ILE   4  -0.162   1.138  -4.241
   36   3HD1  ILE   4           HD1      ILE   4  -1.212   0.893  -2.843
   37    H    THR   5           HN       THR   5  -3.491  -1.238  -3.543
   38    HA   THR   5           HA       THR   5  -4.285  -4.092  -3.818
   39    HB   THR   5           HB       THR   5  -6.507  -3.251  -4.682
   40    HG1  THR   5           HOG      THR   5  -5.885  -0.968  -3.103
   41   1HG2  THR   5           HG3      THR   5  -6.302  -4.390  -2.498
   42   2HG2  THR   5           HG1      THR   5  -6.014  -2.812  -1.721
   43   3HG2  THR   5           HG2      THR   5  -7.573  -3.166  -2.501
   44    H    GLU   6           HN       GLU   6  -5.391  -1.416  -5.687
   45    HA   GLU   6           HA       GLU   6  -4.037  -2.500  -8.104
   46   1HB   GLU   6           HB2      GLU   6  -5.514  -4.162  -7.560
   47   2HB   GLU   6           HB3      GLU   6  -6.792  -3.044  -7.219
   48   1HG   GLU   6           HG2      GLU   6  -7.559  -3.312  -9.305
   49   2HG   GLU   6           HG3      GLU   6  -6.078  -2.620  -9.972
   50    HA   PRO   7           HA       PRO   7  -6.905   1.197  -9.490
   51   1HB   PRO   7           HB2      PRO   7  -7.251   2.501  -6.809
   52   2HB   PRO   7           HB3      PRO   7  -8.340   2.534  -8.227
   53   1HG   PRO   7           HG2      PRO   7  -8.692   0.905  -6.000
   54   2HG   PRO   7           HG3      PRO   7  -9.289   0.483  -7.629
   55   1HD   PRO   7           HD2      PRO   7  -7.129  -0.755  -6.116
   56   2HD   PRO   7           HD3      PRO   7  -7.916  -1.267  -7.633
   57    H    CYS   8           HN       CYS   8  -4.343   1.298  -7.076
   58    HA   CYS   8           HA       CYS   8  -3.322   3.921  -7.484
   59   1HB   CYS   8           HB2      CYS   8  -2.615   2.432  -5.666
   60   2HB   CYS   8           HB3      CYS   8  -2.023   1.268  -6.851
   61    H    ILE   9           HN       ILE   9  -3.000   0.896  -9.325
   62    HA   ILE   9           HA       ILE   9  -0.564   0.911 -10.148
   63    HB   ILE   9           HB       ILE   9  -2.995  -0.005 -11.588
   64   1HG1  ILE   9           HG12     ILE   9  -0.649  -1.514 -10.401
   65   2HG1  ILE   9           HG13     ILE   9  -1.993  -0.965  -9.400
   66   1HG2  ILE   9           HG22     ILE   9  -0.124  -0.557 -12.516
   67   2HG2  ILE   9           HG23     ILE   9  -1.572  -1.356 -13.131
   68   3HG2  ILE   9           HG21     ILE   9  -1.342   0.359 -13.437
   69   1HD1  ILE   9           HD2      ILE   9  -3.548  -2.275 -10.875
   70   2HD1  ILE   9           HD3      ILE   9  -2.108  -2.972 -11.666
   71   3HD1  ILE   9           HD1      ILE   9  -2.382  -3.231  -9.935
   72    H    GLY  10           HN       GLY  10   0.945   1.786 -11.488
   73   1HA   GLY  10           HA2      GLY  10   1.934   3.311 -12.812
   74   2HA   GLY  10           HA3      GLY  10   0.392   3.504 -13.650
   75    H    THR  11           HN       THR  11  -1.212   4.626 -11.712
   76    HA   THR  11           HA       THR  11  -0.455   7.343 -11.857
   77    HB   THR  11           HB       THR  11  -2.766   6.886 -10.111
   78    HG1  THR  11           HOG      THR  11  -2.814   4.808 -10.917
   79   1HG2  THR  11           HG2      THR  11  -2.526   7.669 -13.042
   80   2HG2  THR  11           HG3      THR  11  -3.945   7.890 -11.996
   81   3HG2  THR  11           HG1      THR  11  -2.452   8.790 -11.658
   82    H    LYS  12           HN       LYS  12   1.682   6.876 -10.602
   83    HA   LYS  12           HA       LYS  12   1.396   7.085  -7.722
   84   1HB   LYS  12           HB2      LYS  12   3.463   6.285  -9.012
   85   2HB   LYS  12           HB3      LYS  12   3.880   7.989  -9.188
   86   1HG   LYS  12           HG2      LYS  12   3.399   6.430  -6.601
   87   2HG   LYS  12           HG3      LYS  12   4.961   6.931  -7.244
   88   1HD   LYS  12           HD2      LYS  12   4.465   9.281  -6.885
   89   2HD   LYS  12           HD3      LYS  12   2.836   8.930  -6.304
   90   1HE   LYS  12           HE2      LYS  12   5.231   7.730  -4.900
   91   2HE   LYS  12           HE3      LYS  12   4.656   9.363  -4.539
   92   1HZ   LYS  12           HNZ3     LYS  12   2.890   7.017  -4.393
   93   2HZ   LYS  12           HNZ1     LYS  12   3.668   7.628  -3.100
   94   3HZ   LYS  12           HNZ2     LYS  12   2.573   8.558  -3.907
   95    H    ASP  13           HN       ASP  13  -0.339   8.645  -7.812
   96    HA   ASP  13           HA       ASP  13   0.200  11.377  -8.648
   97   1HB   ASP  13           HB2      ASP  13  -2.048  10.455  -8.773
   98   2HB   ASP  13           HB3      ASP  13  -2.086  10.155  -7.032
   99    H    ALA  14           HN       ALA  14  -0.783  10.208  -5.394
  100    HA   ALA  14           HA       ALA  14   0.367  12.699  -4.368
  101   1HB   ALA  14           HB1      ALA  14  -2.075  11.764  -4.112
  102   2HB   ALA  14           HB2      ALA  14  -1.376  10.922  -2.708
  103   3HB   ALA  14           HB3      ALA  14  -1.304  12.692  -2.821
  104    H    SER  15           HN       SER  15   0.848  12.646  -1.993
  105    HA   SER  15           HA       SER  15   3.391  11.489  -1.687
  106   1HB   SER  15           HB2      SER  15   1.571  13.082   0.171
  107   2HB   SER  15           HB3      SER  15   3.265  12.740   0.520
  108    HG   SER  15           HOG      SER  15   3.924  13.899  -1.151
  109    H    CYS  16           HN       CYS  16   1.895   9.184  -1.859
  110    HA   CYS  16           HA       CYS  16   2.284   8.080   0.878
  111   1HB   CYS  16           HB2      CYS  16   1.584   6.102   0.291
  112   2HB   CYS  16           HB3      CYS  16   0.472   7.158  -0.564
  113    H    VAL  17           HN       VAL  17   4.306   8.524   1.330
  114    HA   VAL  17           HA       VAL  17   6.211   6.736   1.051
  115    HB   VAL  17           HB       VAL  17   6.656   7.028  -1.269
  116   1HG1  VAL  17           HG12     VAL  17   5.971   9.438  -1.575
  117   2HG1  VAL  17           HG13     VAL  17   7.481   9.919  -0.767
  118   3HG1  VAL  17           HG11     VAL  17   7.533   9.031  -2.292
  119   1HG2  VAL  17           HG22     VAL  17   8.510   6.475   0.231
  120   2HG2  VAL  17           HG23     VAL  17   9.022   7.323  -1.237
  121   3HG2  VAL  17           HG21     VAL  17   8.960   8.193   0.306
  122    H    GLU  18           HN       GLU  18   6.093  10.323   0.956
  123    HA   GLU  18           HA       GLU  18   8.212  10.762   2.761
  124   1HB   GLU  18           HB2      GLU  18   5.767  12.563   2.477
  125   2HB   GLU  18           HB3      GLU  18   7.431  12.988   2.890
  126   1HG   GLU  18           HG2      GLU  18   7.426  13.691   0.741
  127   2HG   GLU  18           HG3      GLU  18   7.936  12.028   0.462
  128    H    VAL  19           HN       VAL  19   4.840  10.043   3.294
  129    HA   VAL  19           HA       VAL  19   4.601  11.251   5.840
  130    HB   VAL  19           HB       VAL  19   2.381  10.274   5.858
  131   1HG1  VAL  19           HG11     VAL  19   2.800  12.331   4.599
  132   2HG1  VAL  19           HG12     VAL  19   3.197  11.401   3.145
  133   3HG1  VAL  19           HG13     VAL  19   1.552  11.356   3.803
  134   1HG2  VAL  19           HG23     VAL  19   3.199   8.763   3.320
  135   2HG2  VAL  19           HG21     VAL  19   2.804   8.038   4.891
  136   3HG2  VAL  19           HG22     VAL  19   1.563   8.893   3.971
  137    H    CYS  20           HN       CYS  20   5.723   7.987   5.098
  138    HA   CYS  20           HA       CYS  20   4.258   6.800   7.166
  139   1HB   CYS  20           HB2      CYS  20   4.941   5.608   5.208
  140   2HB   CYS  20           HB3      CYS  20   6.631   5.746   5.713
  141    HA   PRO  21           HA       PRO  21   6.781   7.811  10.776
  142   1HB   PRO  21           HB2      PRO  21   5.234   5.407  11.786
  143   2HB   PRO  21           HB3      PRO  21   5.616   6.922  12.654
  144   1HG   PRO  21           HG2      PRO  21   3.164   6.597  11.557
  145   2HG   PRO  21           HG3      PRO  21   4.033   8.142  11.293
  146   1HD   PRO  21           HD2      PRO  21   3.834   5.772   9.426
  147   2HD   PRO  21           HD3      PRO  21   3.612   7.518   9.089
  148    H    VAL  22           HN       VAL  22   6.557   4.564   9.349
  149    HA   VAL  22           HA       VAL  22   9.175   3.790  10.583
  150    HB   VAL  22           HB       VAL  22   8.301   1.448  10.530
  151   1HG1  VAL  22           HG11     VAL  22   8.418   2.758  12.618
  152   2HG1  VAL  22           HG12     VAL  22   6.768   3.355  12.342
  153   3HG1  VAL  22           HG13     VAL  22   7.054   1.626  12.618
  154   1HG2  VAL  22           HG21     VAL  22   6.343   1.795   8.974
  155   2HG2  VAL  22           HG22     VAL  22   5.902   1.033  10.506
  156   3HG2  VAL  22           HG23     VAL  22   5.553   2.748  10.247
  157    H    ASP  23           HN       ASP  23   9.583   5.123   8.546
  158    HA   ASP  23           HA       ASP  23   9.758   5.200   6.159
  159   1HB   ASP  23           HB2      ASP  23  12.006   3.704   7.548
  160   2HB   ASP  23           HB3      ASP  23  12.142   4.540   5.993
  161    H    CYS  24           HN       CYS  24   7.945   3.737   5.499
  162    HA   CYS  24           HA       CYS  24   9.083   1.762   3.713
  163   1HB   CYS  24           HB2      CYS  24   7.612  -0.074   4.246
  164   2HB   CYS  24           HB3      CYS  24   8.369   0.410   5.767
  165    HG   CYS  24           HSG      CYS  24   6.434   2.011   6.427
  166    H    ILE  25           HN       ILE  25   6.946   0.961   2.453
  167    HA   ILE  25           HA       ILE  25   5.448   1.692   0.804
  168    HB   ILE  25           HB       ILE  25   6.243   4.547   1.382
  169   1HG1  ILE  25           HG12     ILE  25   3.396   3.516   1.548
  170   2HG1  ILE  25           HG13     ILE  25   4.453   3.259   2.951
  171   1HG2  ILE  25           HG23     ILE  25   5.874   4.126  -0.995
  172   2HG2  ILE  25           HG21     ILE  25   4.314   3.353  -0.641
  173   3HG2  ILE  25           HG22     ILE  25   4.551   5.078  -0.327
  174   1HD1  ILE  25           HD2      ILE  25   4.912   5.750   2.934
  175   2HD1  ILE  25           HD3      ILE  25   3.659   5.895   1.682
  176   3HD1  ILE  25           HD1      ILE  25   3.231   5.289   3.287
  177    H    HIS  26           HN       HIS  26   6.542   0.891  -0.919
  178    HA   HIS  26           HA       HIS  26   9.269   1.802  -1.612
  179   1HB   HIS  26           HB2      HIS  26   8.085  -0.978  -1.473
  180   2HB   HIS  26           HB3      HIS  26   9.739  -0.572  -1.889
  181    HD1  HIS  26           HND      HIS  26  11.048   0.746   0.395
  182    HD2  HIS  26           HD       HIS  26   7.604  -1.599   0.973
  183    HE1  HIS  26           HE       HIS  26  10.938   0.209   2.889
  184    H    GLU  27           HN       GLU  27   9.702   0.681  -3.882
  185    HA   GLU  27           HA       GLU  27   7.319   1.214  -5.545
  186   1HB   GLU  27           HB2      GLU  27  10.115   0.867  -6.621
  187   2HB   GLU  27           HB3      GLU  27   8.722   1.761  -7.264
  188   1HG   GLU  27           HG2      GLU  27   8.958   3.358  -5.294
  189   2HG   GLU  27           HG3      GLU  27  10.477   2.538  -4.887
  190    H    GLY  28           HN       GLY  28   6.723  -0.210  -7.234
  191   1HA   GLY  28           HA2      GLY  28   7.647  -3.063  -7.081
  192   2HA   GLY  28           HA3      GLY  28   6.040  -2.469  -7.560
  193    H    GLU  29           HN       GLU  29   6.537  -3.791  -9.501
  194    HA   GLU  29           HA       GLU  29   8.473  -3.155 -11.412
  195   1HB   GLU  29           HB2      GLU  29   5.605  -4.238 -11.722
  196   2HB   GLU  29           HB3      GLU  29   6.898  -4.298 -12.906
  197   1HG   GLU  29           HG2      GLU  29   7.115  -6.392 -12.008
  198   2HG   GLU  29           HG3      GLU  29   8.223  -5.539 -10.930
  199    H    ASP  30           HN       ASP  30   5.049  -2.281 -11.386
  200    HA   ASP  30           HA       ASP  30   5.512   0.185 -13.018
  201   1HB   ASP  30           HB2      ASP  30   3.927  -1.334 -14.025
  202   2HB   ASP  30           HB3      ASP  30   3.039  -1.564 -12.510
  203    H    GLN  31           HN       GLN  31   3.302  -0.977 -10.528
  204    HA   GLN  31           HA       GLN  31   2.875   1.670  -9.489
  205   1HB   GLN  31           HB2      GLN  31   1.077   0.650  -8.294
  206   2HB   GLN  31           HB3      GLN  31   1.195  -0.136  -9.890
  207   1HG   GLN  31           HG2      GLN  31   2.332  -2.069  -8.952
  208   2HG   GLN  31           HG3      GLN  31   2.341  -1.292  -7.368
  209   1HE2  GLN  31           HNE2     GLN  31  -1.289  -1.789  -6.956
  210   2HE2  GLN  31           HNE1     GLN  31  -0.178  -0.428  -6.849
  211    H    TYR  32           HN       TYR  32   2.499   1.492  -6.826
  212    HA   TYR  32           HA       TYR  32   5.198   0.859  -5.700
  213   1HB   TYR  32           HB2      TYR  32   3.069   2.891  -4.950
  214   2HB   TYR  32           HB3      TYR  32   4.277   2.271  -3.825
  215    HD1  TYR  32           HD1      TYR  32   4.999   3.094  -7.444
  216    HD2  TYR  32           HD2      TYR  32   5.385   4.275  -3.308
  217    HE1  TYR  32           HE1      TYR  32   6.806   4.638  -8.053
  218    HE2  TYR  32           HE2      TYR  32   7.141   5.898  -3.954
  219    HH   TYR  32           HOH      TYR  32   8.817   5.801  -6.781
  220    H    TYR  33           HN       TYR  33   5.185   0.135  -3.475
  221    HA   TYR  33           HA       TYR  33   2.829  -1.493  -2.599
  222   1HB   TYR  33           HB2      TYR  33   5.751  -2.359  -2.699
  223   2HB   TYR  33           HB3      TYR  33   4.485  -3.315  -2.007
  224    HD1  TYR  33           HD2      TYR  33   2.324  -2.828  -4.119
  225    HD2  TYR  33           HD1      TYR  33   6.482  -3.860  -4.462
  226    HE1  TYR  33           HE2      TYR  33   1.885  -3.733  -6.326
  227    HE2  TYR  33           HE1      TYR  33   6.021  -4.835  -6.688
  228    HH   TYR  33           HOH      TYR  33   4.443  -4.807  -8.477
  229    H    ILE  34           HN       ILE  34   3.460  -2.381  -0.354
  230    HA   ILE  34           HA       ILE  34   4.982  -0.464   1.343
  231    HB   ILE  34           HB       ILE  34   2.096  -1.375   1.728
  232   1HG1  ILE  34           HG12     ILE  34   2.695   1.468   2.179
  233   2HG1  ILE  34           HG13     ILE  34   3.006   1.011   0.511
  234   1HG2  ILE  34           HG21     ILE  34   3.931   0.053   3.698
  235   2HG2  ILE  34           HG22     ILE  34   2.176  -0.107   3.894
  236   3HG2  ILE  34           HG23     ILE  34   3.184  -1.542   3.910
  237   1HD1  ILE  34           HD1      ILE  34   0.404   0.173   1.807
  238   2HD1  ILE  34           HD2      ILE  34   0.639   1.822   1.214
  239   3HD1  ILE  34           HD3      ILE  34   0.784   0.455   0.091
  240    H    ASP  35           HN       ASP  35   6.130  -1.688   2.935
  241    HA   ASP  35           HA       ASP  35   5.789  -4.553   2.965
  242   1HB   ASP  35           HB2      ASP  35   8.003  -3.582   3.231
  243   2HB   ASP  35           HB3      ASP  35   7.482  -2.759   4.699
  244    HA   PRO  36           HA       PRO  36   2.505  -3.523   5.914
  245   1HB   PRO  36           HB2      PRO  36   1.536  -6.219   6.155
  246   2HB   PRO  36           HB3      PRO  36   0.879  -4.867   5.231
  247   1HG   PRO  36           HG2      PRO  36   2.170  -7.258   4.232
  248   2HG   PRO  36           HG3      PRO  36   1.688  -5.861   3.252
  249   1HD   PRO  36           HD2      PRO  36   4.387  -6.541   4.296
  250   2HD   PRO  36           HD3      PRO  36   3.899  -5.566   2.894
  251    H    ASP  37           HN       ASP  37   5.231  -5.714   6.467
  252    HA   ASP  37           HA       ASP  37   4.332  -6.558   9.103
  253   1HB   ASP  37           HB2      ASP  37   6.291  -7.334   7.075
  254   2HB   ASP  37           HB3      ASP  37   6.444  -7.865   8.707
  255    H    VAL  38           HN       VAL  38   6.560  -4.456   7.307
  256    HA   VAL  38           HA       VAL  38   7.812  -3.356   9.728
  257    HB   VAL  38           HB       VAL  38   7.612  -2.332   6.868
  258   1HG1  VAL  38           HG11     VAL  38   8.956  -1.089   9.290
  259   2HG1  VAL  38           HG12     VAL  38   9.328  -0.650   7.612
  260   3HG1  VAL  38           HG13     VAL  38   7.700  -0.382   8.241
  261   1HG2  VAL  38           HG21     VAL  38   9.827  -3.615   8.534
  262   2HG2  VAL  38           HG22     VAL  38   9.132  -4.210   7.019
  263   3HG2  VAL  38           HG23     VAL  38  10.137  -2.756   7.012
  264    H    CYS  39           HN       CYS  39   5.123  -2.356   7.491
  265    HA   CYS  39           HA       CYS  39   4.368  -0.043   8.910
  266   1HB   CYS  39           HB2      CYS  39   3.488  -0.733   6.678
  267   2HB   CYS  39           HB3      CYS  39   2.755  -2.071   7.479
  268    H    ILE  40           HN       ILE  40   2.905   0.338  10.587
  269    HA   ILE  40           HA       ILE  40   2.400  -1.979  12.429
  270    HB   ILE  40           HB       ILE  40   2.624  -0.370  14.234
  271   1HG1  ILE  40           HG12     ILE  40   4.156   1.712  13.429
  272   2HG1  ILE  40           HG13     ILE  40   3.061   1.658  12.054
  273   1HG2  ILE  40           HG21     ILE  40   4.485  -1.819  13.459
  274   2HG2  ILE  40           HG22     ILE  40   5.070  -0.485  12.444
  275   3HG2  ILE  40           HG23     ILE  40   5.037  -0.315  14.208
  276   1HD1  ILE  40           HD1      ILE  40   2.234   1.800  14.992
  277   2HD1  ILE  40           HD2      ILE  40   2.306   3.171  13.871
  278   3HD1  ILE  40           HD3      ILE  40   1.136   1.870  13.595
  279    H    ASP  41           HN       ASP  41   0.511  -1.265  10.341
  280    HA   ASP  41           HA       ASP  41  -1.635  -0.589  10.001
  281   1HB   ASP  41           HB2      ASP  41  -1.844  -1.847  12.752
  282   2HB   ASP  41           HB3      ASP  41  -3.260  -1.285  11.858
  283    H    CYS  42           HN       CYS  42  -0.092   1.576  10.582
  284    HA   CYS  42           HA       CYS  42  -1.297   3.144  12.682
  285   1HB   CYS  42           HB2      CYS  42   0.426   4.453  12.527
  286   2HB   CYS  42           HB3      CYS  42   1.166   3.103  11.671
  287    H    GLY  43           HN       GLY  43  -1.913   2.876   9.272
  288   1HA   GLY  43           HA2      GLY  43  -3.415   3.927   7.882
  289   2HA   GLY  43           HA3      GLY  43  -4.005   4.890   9.253
  290    H    ALA  44           HN       ALA  44  -3.970   6.751   7.949
  291    HA   ALA  44           HA       ALA  44  -3.220   8.892   7.752
  292   1HB   ALA  44           HB1      ALA  44  -1.327   8.563   9.338
  293   2HB   ALA  44           HB2      ALA  44  -0.327   7.954   8.002
  294   3HB   ALA  44           HB3      ALA  44  -0.937   9.612   7.962
  295    H    CYS  45           HN       CYS  45  -1.083   6.476   6.243
  296    HA   CYS  45           HA       CYS  45  -0.838   7.791   3.722
  297   1HB   CYS  45           HB2      CYS  45   0.131   5.725   2.987
  298   2HB   CYS  45           HB3      CYS  45   0.769   6.250   4.537
  299    H    GLU  46           HN       GLU  46  -3.410   5.625   5.017
  300    HA   GLU  46           HA       GLU  46  -4.540   5.155   2.378
  301   1HB   GLU  46           HB2      GLU  46  -6.375   4.235   3.341
  302   2HB   GLU  46           HB3      GLU  46  -5.044   3.681   4.372
  303   1HG   GLU  46           HG2      GLU  46  -7.143   5.836   5.009
  304   2HG   GLU  46           HG3      GLU  46  -7.146   4.181   5.571
  305    H    ALA  47           HN       ALA  47  -5.111   7.394   5.052
  306    HA   ALA  47           HA       ALA  47  -7.281   8.681   3.844
  307   1HB   ALA  47           HB3      ALA  47  -6.703   8.917   6.247
  308   2HB   ALA  47           HB1      ALA  47  -5.274   9.883   5.817
  309   3HB   ALA  47           HB2      ALA  47  -6.901  10.507   5.481
  310    H    VAL  48           HN       VAL  48  -3.736   9.371   3.616
  311    HA   VAL  48           HA       VAL  48  -4.083  11.724   2.112
  312    HB   VAL  48           HB       VAL  48  -2.055  10.546   3.414
  313   1HG1  VAL  48           HG12     VAL  48  -1.533   9.007   1.564
  314   2HG1  VAL  48           HG13     VAL  48  -1.182  10.402   0.507
  315   3HG1  VAL  48           HG11     VAL  48  -0.200  10.094   1.956
  316   1HG2  VAL  48           HG23     VAL  48  -2.283  12.937   1.678
  317   2HG2  VAL  48           HG21     VAL  48  -1.923  12.740   3.408
  318   3HG2  VAL  48           HG22     VAL  48  -0.660  12.438   2.197
  319    H    CYS  49           HN       CYS  49  -3.800   8.267   1.151
  320    HA   CYS  49           HA       CYS  49  -3.316   8.658  -1.568
  321   1HB   CYS  49           HB2      CYS  49  -3.152   6.482  -0.414
  322   2HB   CYS  49           HB3      CYS  49  -4.894   6.474  -0.253
  323    HA   PRO  50           HA       PRO  50  -7.188  10.787  -2.374
  324   1HB   PRO  50           HB2      PRO  50  -7.044  10.716  -5.226
  325   2HB   PRO  50           HB3      PRO  50  -6.485  12.008  -4.136
  326   1HG   PRO  50           HG2      PRO  50  -4.893   9.928  -5.538
  327   2HG   PRO  50           HG3      PRO  50  -4.388  11.511  -4.895
  328   1HD   PRO  50           HD2      PRO  50  -3.809   9.047  -3.737
  329   2HD   PRO  50           HD3      PRO  50  -3.781  10.612  -2.872
  330    H    VAL  51           HN       VAL  51  -6.380   7.775  -4.044
  331    HA   VAL  51           HA       VAL  51  -9.208   7.212  -4.687
  332    HB   VAL  51           HB       VAL  51  -6.725   5.549  -5.234
  333   1HG1  VAL  51           HG12     VAL  51  -9.452   5.660  -6.616
  334   2HG1  VAL  51           HG13     VAL  51  -8.073   4.671  -7.112
  335   3HG1  VAL  51           HG11     VAL  51  -8.885   4.332  -5.582
  336   1HG2  VAL  51           HG23     VAL  51  -6.446   7.828  -6.276
  337   2HG2  VAL  51           HG21     VAL  51  -6.661   6.553  -7.468
  338   3HG2  VAL  51           HG22     VAL  51  -8.022   7.618  -7.066
  339    H    SER  52           HN       SER  52  -7.153   6.817  -1.983
  340    HA   SER  52           HA       SER  52  -6.825   5.346  -0.368
  341   1HB   SER  52           HB2      SER  52  -8.736   4.482   0.813
  342   2HB   SER  52           HB3      SER  52  -9.048   6.137   0.274
  343    HG   SER  52           HOG      SER  52 -10.092   4.962  -1.616
  344    H    ALA  53           HN       ALA  53  -6.125   4.365  -2.891
  345    HA   ALA  53           HA       ALA  53  -6.887   1.654  -3.338
  346   1HB   ALA  53           HB1      ALA  53  -5.557   3.107  -4.918
  347   2HB   ALA  53           HB2      ALA  53  -4.162   2.920  -3.832
  348   3HB   ALA  53           HB3      ALA  53  -4.855   1.499  -4.642
  349    H    ILE  54           HN       ILE  54  -4.657   3.190  -1.068
  350    HA   ILE  54           HA       ILE  54  -3.486   0.757  -0.045
  351    HB   ILE  54           HB       ILE  54  -3.723   3.559   1.088
  352   1HG1  ILE  54           HG12     ILE  54  -1.391   2.064  -0.192
  353   2HG1  ILE  54           HG13     ILE  54  -2.390   3.293  -0.971
  354   1HG2  ILE  54           HG23     ILE  54  -2.180   1.137   2.128
  355   2HG2  ILE  54           HG21     ILE  54  -1.960   2.801   2.710
  356   3HG2  ILE  54           HG22     ILE  54  -3.496   2.000   2.955
  357   1HD1  ILE  54           HD3      ILE  54  -1.680   4.969   0.724
  358   2HD1  ILE  54           HD1      ILE  54  -0.532   3.787   1.383
  359   3HD1  ILE  54           HD2      ILE  54  -0.359   4.343  -0.280
  360    H    TYR  55           HN       TYR  55  -4.775  -0.777   0.840
  361    HA   TYR  55           HA       TYR  55  -6.906  -0.006   2.754
  362   1HB   TYR  55           HB2      TYR  55  -6.975  -1.958   0.501
  363   2HB   TYR  55           HB3      TYR  55  -8.111  -2.089   1.842
  364    HD1  TYR  55           HD2      TYR  55  -9.030   0.644   2.338
  365    HD2  TYR  55           HD1      TYR  55  -8.256  -1.382  -1.388
  366    HE1  TYR  55           HE2      TYR  55 -10.600   2.156   1.179
  367    HE2  TYR  55           HE1      TYR  55  -9.917   0.060  -2.516
  368    HH   TYR  55           HOH      TYR  55 -10.875   3.043  -1.067
  369    H    HIS  56           HN       HIS  56  -7.383  -1.536   4.334
  370    HA   HIS  56           HA       HIS  56  -5.011  -2.800   5.352
  371   1HB   HIS  56           HB2      HIS  56  -6.714  -1.738   6.782
  372   2HB   HIS  56           HB3      HIS  56  -7.964  -2.819   6.168
  373    HD1  HIS  56           HND      HIS  56  -8.322  -5.014   7.569
  374    HD2  HIS  56           HD       HIS  56  -4.646  -3.080   8.178
  375    HE1  HIS  56           HE       HIS  56  -7.037  -6.420   9.271
  376    H    GLU  57           HN       GLU  57  -4.563  -5.034   5.568
  377    HA   GLU  57           HA       GLU  57  -4.857  -6.668   3.466
  378   1HB   GLU  57           HB2      GLU  57  -4.812  -7.593   6.380
  379   2HB   GLU  57           HB3      GLU  57  -4.203  -8.469   4.966
  380   1HG   GLU  57           HG2      GLU  57  -2.502  -6.811   4.641
  381   2HG   GLU  57           HG3      GLU  57  -3.062  -5.952   6.101
  382    H    ASP  58           HN       ASP  58  -7.135  -6.586   6.184
  383    HA   ASP  58           HA       ASP  58  -8.501  -8.959   5.268
  384   1HB   ASP  58           HB2      ASP  58  -8.387  -8.346   7.658
  385   2HB   ASP  58           HB3      ASP  58  -9.399  -6.917   7.345
  386    H    PHE  59           HN       PHE  59  -9.156  -5.427   5.167
  387    HA   PHE  59           HA       PHE  59 -11.726  -5.395   3.994
  388   1HB   PHE  59           HB2      PHE  59  -9.325  -3.526   4.027
  389   2HB   PHE  59           HB3      PHE  59 -10.854  -3.152   3.330
  390    HD1  PHE  59           HD1      PHE  59 -11.420  -5.009   6.395
  391    HD2  PHE  59           HD2      PHE  59 -10.465  -1.090   4.822
  392    HE1  PHE  59           HE1      PHE  59 -11.974  -3.999   8.559
  393    HE2  PHE  59           HE2      PHE  59 -11.080  -0.085   6.999
  394    HZ   PHE  59           HZ       PHE  59 -11.812  -1.536   8.880
  395    H    VAL  60           HN       VAL  60  -8.374  -5.623   2.869
  396    HA   VAL  60           HA       VAL  60  -8.888  -5.194   0.133
  397    HB   VAL  60           HB       VAL  60  -6.622  -6.375   1.727
  398   1HG1  VAL  60           HG11     VAL  60  -6.918  -6.941  -1.236
  399   2HG1  VAL  60           HG12     VAL  60  -5.450  -7.125  -0.268
  400   3HG1  VAL  60           HG13     VAL  60  -6.827  -8.150   0.071
  401   1HG2  VAL  60           HG22     VAL  60  -7.198  -4.164  -0.212
  402   2HG2  VAL  60           HG23     VAL  60  -6.243  -4.176   1.289
  403   3HG2  VAL  60           HG21     VAL  60  -5.589  -4.826  -0.230
  404    HA   PRO  61           HA       PRO  61 -11.496  -8.678  -0.569
  405   1HB   PRO  61           HB2      PRO  61 -11.456  -8.677  -3.375
  406   2HB   PRO  61           HB3      PRO  61 -12.493  -7.666  -2.354
  407   1HG   PRO  61           HG2      PRO  61  -9.941  -6.950  -3.765
  408   2HG   PRO  61           HG3      PRO  61 -11.367  -5.917  -3.468
  409   1HD   PRO  61           HD2      PRO  61  -9.008  -5.783  -1.999
  410   2HD   PRO  61           HD3      PRO  61 -10.622  -5.336  -1.345
  411    H    GLU  62           HN       GLU  62 -11.284 -10.946  -1.157
  412    HA   GLU  62           HA       GLU  62  -8.977 -12.251  -0.919
  413   1HB   GLU  62           HB2      GLU  62 -11.697 -12.664  -2.195
  414   2HB   GLU  62           HB3      GLU  62 -10.470 -13.873  -2.330
  415   1HG   GLU  62           HG2      GLU  62 -11.944 -14.244  -0.335
  416   2HG   GLU  62           HG3      GLU  62 -10.247 -14.031   0.122
  417    H    GLU  63           HN       GLU  63 -10.453 -11.171  -3.937
  418    HA   GLU  63           HA       GLU  63  -8.782 -12.077  -5.942
  419   1HB   GLU  63           HB2      GLU  63 -10.775 -10.621  -6.136
  420   2HB   GLU  63           HB3      GLU  63  -9.796  -9.236  -5.623
  421   1HG   GLU  63           HG2      GLU  63  -9.761  -9.025  -7.933
  422   2HG   GLU  63           HG3      GLU  63  -8.263  -9.925  -7.681
  423    H    TRP  64           HN       TRP  64  -8.239  -9.300  -3.761
  424    HA   TRP  64           HA       TRP  64  -5.502  -8.885  -4.812
  425   1HB   TRP  64           HB2      TRP  64  -7.449  -7.031  -3.403
  426   2HB   TRP  64           HB3      TRP  64  -5.819  -6.578  -3.880
  427    HD1  TRP  64           HD       TRP  64  -6.215  -8.214  -6.789
  428    HE1  TRP  64           HNE      TRP  64  -7.330  -6.862  -8.696
  429    HE3  TRP  64           HE       TRP  64  -8.619  -4.587  -4.058
  430    HZ2  TRP  64           HZ1      TRP  64  -9.298  -4.893  -8.974
  431    HZ3  TRP  64           HZ2      TRP  64  -9.838  -2.791  -5.278
  432    HH2  TRP  64           HH       TRP  64 -10.244  -2.977  -7.713
  433    H    LYS  65           HN       LYS  65  -6.935 -10.340  -2.159
  434    HA   LYS  65           HA       LYS  65  -4.933  -9.946  -0.140
  435   1HB   LYS  65           HB2      LYS  65  -6.509 -12.419  -0.866
  436   2HB   LYS  65           HB3      LYS  65  -5.321 -12.308   0.442
  437   1HG   LYS  65           HG2      LYS  65  -6.495 -10.219   1.243
  438   2HG   LYS  65           HG3      LYS  65  -7.808 -10.556   0.128
  439   1HD   LYS  65           HD2      LYS  65  -8.437 -12.557   1.362
  440   2HD   LYS  65           HD3      LYS  65  -6.857 -12.615   2.153
  441   1HE   LYS  65           HE2      LYS  65  -8.263 -11.757   3.827
  442   2HE   LYS  65           HE3      LYS  65  -7.316 -10.400   3.180
  443   1HZ   LYS  65           HNZ1     LYS  65 -10.116 -11.058   2.424
  444   2HZ   LYS  65           HNZ2     LYS  65  -9.738  -9.868   3.509
  445   3HZ   LYS  65           HNZ3     LYS  65  -9.292  -9.707   1.961
  446    H    SER  66           HN       SER  66  -4.875 -11.689  -3.274
  447    HA   SER  66           HA       SER  66  -2.385 -12.831  -3.367
  448   1HB   SER  66           HB2      SER  66  -3.569 -11.058  -5.550
  449   2HB   SER  66           HB3      SER  66  -2.553 -12.501  -5.735
  450    HG   SER  66           HOG      SER  66  -5.235 -12.317  -5.471
  451    H    TYR  67           HN       TYR  67  -3.122  -9.295  -3.806
  452    HA   TYR  67           HA       TYR  67  -0.376  -8.607  -4.434
  453   1HB   TYR  67           HB2      TYR  67  -2.835  -6.997  -3.572
  454   2HB   TYR  67           HB3      TYR  67  -1.251  -6.280  -3.613
  455    HD1  TYR  67           HD1      TYR  67   0.090  -6.481  -5.877
  456    HD2  TYR  67           HD2      TYR  67  -4.177  -6.952  -5.531
  457    HE1  TYR  67           HE1      TYR  67  -0.172  -5.978  -8.296
  458    HE2  TYR  67           HE2      TYR  67  -4.432  -6.427  -7.939
  459    HH   TYR  67           HOH      TYR  67  -3.339  -5.586  -9.831
  460    H    ILE  68           HN       ILE  68  -2.324  -8.799  -1.393
  461    HA   ILE  68           HA       ILE  68  -0.443  -7.334   0.072
  462    HB   ILE  68           HB       ILE  68  -2.615  -9.374   0.687
  463   1HG1  ILE  68           HG12     ILE  68  -3.925  -7.672   1.336
  464   2HG1  ILE  68           HG13     ILE  68  -2.598  -6.684   1.934
  465   1HG2  ILE  68           HG21     ILE  68  -0.846  -8.135   2.801
  466   2HG2  ILE  68           HG22     ILE  68  -2.405  -8.940   3.100
  467   3HG2  ILE  68           HG23     ILE  68  -1.056  -9.863   2.435
  468   1HD1  ILE  68           HD1      ILE  68  -2.045  -5.993  -0.414
  469   2HD1  ILE  68           HD2      ILE  68  -3.398  -6.967  -0.992
  470   3HD1  ILE  68           HD3      ILE  68  -3.668  -5.595   0.086
  471    H    GLN  69           HN       GLN  69  -0.853 -10.820  -0.485
  472    HA   GLN  69           HA       GLN  69   1.526 -11.662   0.846
  473   1HB   GLN  69           HB2      GLN  69  -0.370 -12.778  -1.197
  474   2HB   GLN  69           HB3      GLN  69   1.231 -13.501  -1.090
  475   1HG   GLN  69           HG2      GLN  69  -0.508 -14.574   0.418
  476   2HG   GLN  69           HG3      GLN  69   0.991 -14.067   1.197
  477   1HE2  GLN  69           HNE2     GLN  69  -2.424 -11.899   2.073
  478   2HE2  GLN  69           HNE1     GLN  69  -2.233 -12.478   0.433
  479    H    LYS  70           HN       LYS  70   1.013 -10.507  -2.541
  480    HA   LYS  70           HA       LYS  70   3.686 -10.817  -3.332
  481   1HB   LYS  70           HB2      LYS  70   1.600 -10.081  -4.731
  482   2HB   LYS  70           HB3      LYS  70   1.938  -8.463  -4.144
  483   1HG   LYS  70           HG2      LYS  70   4.102  -8.372  -5.171
  484   2HG   LYS  70           HG3      LYS  70   3.992 -10.059  -5.700
  485   1HD   LYS  70           HD2      LYS  70   1.896  -9.466  -6.986
  486   2HD   LYS  70           HD3      LYS  70   2.156  -7.766  -6.586
  487   1HE   LYS  70           HE2      LYS  70   4.138  -9.546  -8.106
  488   2HE   LYS  70           HE3      LYS  70   2.971  -8.464  -8.875
  489   1HZ   LYS  70           HNZ2     LYS  70   5.089  -7.523  -7.046
  490   2HZ   LYS  70           HNZ3     LYS  70   5.160  -7.502  -8.677
  491   3HZ   LYS  70           HNZ1     LYS  70   4.045  -6.596  -7.921
  492    H    ASN  71           HN       ASN  71   2.263  -7.819  -1.861
  493    HA   ASN  71           HA       ASN  71   4.625  -6.342  -1.688
  494   1HB   ASN  71           HB2      ASN  71   2.118  -6.577   0.037
  495   2HB   ASN  71           HB3      ASN  71   3.416  -5.478   0.455
  496   1HD2  ASN  71           HND2     ASN  71   1.533  -4.647  -3.125
  497   2HD2  ASN  71           HND1     ASN  71   1.680  -6.320  -2.640
  498    H    ARG  72           HN       ARG  72   3.310  -8.806   0.609
  499    HA   ARG  72           HA       ARG  72   5.466  -8.600   2.422
  500   1HB   ARG  72           HB2      ARG  72   3.236 -10.434   1.889
  501   2HB   ARG  72           HB3      ARG  72   4.676 -11.322   2.357
  502   1HG   ARG  72           HG2      ARG  72   4.922  -9.893   4.380
  503   2HG   ARG  72           HG3      ARG  72   3.567  -8.907   3.816
  504   1HD   ARG  72           HD2      ARG  72   2.175 -11.073   3.901
  505   2HD   ARG  72           HD3      ARG  72   3.498 -11.747   4.861
  506    HE   ARG  72           HNE      ARG  72   3.240  -9.824   6.454
  507   1HH1  ARG  72           HN22     ARG  72   0.353 -10.894   4.600
  508   2HH1  ARG  72           HN21     ARG  72  -0.692  -9.826   5.521
  509   1HH2  ARG  72           HN12     ARG  72   1.859  -8.515   7.535
  510   2HH2  ARG  72           HN11     ARG  72   0.101  -8.462   7.216
  511    H    ASP  73           HN       ASP  73   5.088 -10.653  -0.549
  512    HA   ASP  73           HA       ASP  73   7.402 -12.188  -0.133
  513   1HB   ASP  73           HB2      ASP  73   5.295 -12.127  -1.918
  514   2HB   ASP  73           HB3      ASP  73   6.644 -11.704  -2.945
  515    H    PHE  74           HN       PHE  74   6.843  -9.160  -1.804
  516    HA   PHE  74           HA       PHE  74   9.282  -8.739  -3.086
  517   1HB   PHE  74           HB2      PHE  74   7.019  -7.097  -2.150
  518   2HB   PHE  74           HB3      PHE  74   8.528  -6.237  -2.025
  519    HD1  PHE  74           HD1      PHE  74   7.000  -8.641  -4.491
  520    HD2  PHE  74           HD2      PHE  74   9.127  -4.943  -3.875
  521    HE1  PHE  74           HE1      PHE  74   7.215  -8.330  -6.958
  522    HE2  PHE  74           HE2      PHE  74   9.217  -4.582  -6.311
  523    HZ   PHE  74           HZ       PHE  74   8.100  -6.182  -7.854
  524    H    PHE  75           HN       PHE  75   8.593  -8.274   0.390
  525    HA   PHE  75           HA       PHE  75  11.427  -7.381   0.788
  526   1HB   PHE  75           HB2      PHE  75   9.017  -6.958   2.559
  527   2HB   PHE  75           HB3      PHE  75  10.582  -6.196   2.689
  528    HD1  PHE  75           HD1      PHE  75  11.337  -4.959   0.314
  529    HD2  PHE  75           HD2      PHE  75   7.308  -5.688   1.628
  530    HE1  PHE  75           HE1      PHE  75  10.487  -3.445  -1.456
  531    HE2  PHE  75           HE2      PHE  75   6.446  -4.210  -0.158
  532    HZ   PHE  75           HZ       PHE  75   8.034  -3.181  -1.784
  533    H    LYS  76           HN       LYS  76  10.567 -10.183   0.495
  534    HA   LYS  76           HA       LYS  76  11.511 -11.267   3.096
  535   1HB   LYS  76           HB2      LYS  76   8.974 -11.122   2.870
  536   2HB   LYS  76           HB3      LYS  76   9.117 -12.202   1.478
  537   1HG   LYS  76           HG2      LYS  76   9.773 -14.044   3.037
  538   2HG   LYS  76           HG3      LYS  76   9.898 -12.868   4.356
  539   1HD   LYS  76           HD2      LYS  76   7.792 -14.248   4.343
  540   2HD   LYS  76           HD3      LYS  76   7.532 -12.506   4.355
  541   1HE   LYS  76           HE2      LYS  76   6.003 -13.783   2.802
  542   2HE   LYS  76           HE3      LYS  76   6.872 -12.435   2.081
  543   1HZ   LYS  76           HNZ3     LYS  76   7.621 -15.276   1.770
  544   2HZ   LYS  76           HNZ1     LYS  76   6.907 -14.330   0.631
  545   3HZ   LYS  76           HNZ2     LYS  76   8.411 -14.015   1.054
  546    H    LYS  77           HN       LYS  77  11.362 -13.970   2.157
  547    HA   LYS  77           HA       LYS  77  12.826 -14.169  -0.359
  548   1HB   LYS  77           HB2      LYS  77  12.840 -16.373   0.084
  549   2HB   LYS  77           HB3      LYS  77  12.180 -15.980   1.660
  550   1HG   LYS  77           HG2      LYS  77  10.833 -17.707   0.858
  551   2HG   LYS  77           HG3      LYS  77   9.841 -16.286   0.638
  552   1HD   LYS  77           HD2      LYS  77  11.337 -16.590  -1.805
  553   2HD   LYS  77           HD3      LYS  77  10.963 -18.221  -1.297
  554   1HE   LYS  77           HE2      LYS  77   9.245 -17.596  -2.795
  555   2HE   LYS  77           HE3      LYS  77   8.486 -17.543  -1.196
  556   1HZ   LYS  77           HNZ3     LYS  77   9.613 -15.138  -2.516
  557   2HZ   LYS  77           HNZ1     LYS  77   8.007 -15.508  -2.677
  558   3HZ   LYS  77           HNZ2     LYS  77   8.687 -15.139  -1.253
   
  No H/Q in entry =         557
  Start of MODEL    6
    1   1H    ALA   1           HN1      ALA   1  -2.602  -4.787   8.954
    2   2H    ALA   1           HN2      ALA   1  -2.340  -3.411   9.753
    3   2H    ALA   1           HN3      ALA   1  -2.340  -3.411   9.753
    4    HA   ALA   1           HA       ALA   1  -0.247  -4.724   8.215
    5   1HB   ALA   1           HB3      ALA   1   0.637  -3.258   9.825
    6   2HB   ALA   1           HB1      ALA   1   0.914  -2.780   8.132
    7   3HB   ALA   1           HB2      ALA   1  -0.288  -1.904   9.123
    8    H    TYR   2           HN       TYR   2  -0.559  -1.601   7.069
    9    HA   TYR   2           HA       TYR   2  -2.998  -2.039   5.452
   10   1HB   TYR   2           HB2      TYR   2  -1.296   0.418   5.932
   11   2HB   TYR   2           HB3      TYR   2  -2.707   0.343   4.879
   12    HD1  TYR   2           HD1      TYR   2  -4.971  -0.277   5.829
   13    HD2  TYR   2           HD2      TYR   2  -1.601   0.630   8.341
   14    HE1  TYR   2           HE1      TYR   2  -6.480  -0.100   7.803
   15    HE2  TYR   2           HE2      TYR   2  -3.151   0.889  10.280
   16    HH   TYR   2           HOH      TYR   2  -5.108  -0.183  11.057
   17    H    VAL   3           HN       VAL   3  -2.985  -2.209   3.233
   18    HA   VAL   3           HA       VAL   3  -0.312  -2.600   1.939
   19    HB   VAL   3           HB       VAL   3  -2.510  -4.569   1.500
   20   1HG1  VAL   3           HG12     VAL   3   0.539  -4.679   1.732
   21   2HG1  VAL   3           HG13     VAL   3  -0.474  -6.106   1.538
   22   3HG1  VAL   3           HG11     VAL   3  -0.452  -4.872   0.265
   23   1HG2  VAL   3           HG21     VAL   3  -0.903  -4.614   4.067
   24   2HG2  VAL   3           HG22     VAL   3  -2.679  -4.592   3.882
   25   3HG2  VAL   3           HG23     VAL   3  -1.753  -6.007   3.400
   26    H    ILE   4           HN       ILE   4  -0.450  -2.885  -0.375
   27    HA   ILE   4           HA       ILE   4  -2.067  -0.767  -1.441
   28    HB   ILE   4           HB       ILE   4   0.386  -1.845  -2.066
   29   1HG1  ILE   4           HG12     ILE   4   0.055  -0.853  -4.446
   30   2HG1  ILE   4           HG13     ILE   4  -1.604  -0.518  -3.994
   31   1HG2  ILE   4           HG21     ILE   4  -0.536  -3.966  -2.646
   32   2HG2  ILE   4           HG22     ILE   4  -1.335  -3.257  -4.084
   33   3HG2  ILE   4           HG23     ILE   4   0.421  -3.191  -3.940
   34   1HD1  ILE   4           HD3      ILE   4  -0.735   0.869  -2.039
   35   2HD1  ILE   4           HD1      ILE   4   0.905   0.582  -2.641
   36   3HD1  ILE   4           HD2      ILE   4  -0.265   1.471  -3.630
   37    H    THR   5           HN       THR   5  -3.543  -0.958  -3.331
   38    HA   THR   5           HA       THR   5  -4.119  -3.691  -4.182
   39    HB   THR   5           HB       THR   5  -6.501  -3.167  -4.607
   40    HG1  THR   5           HOG      THR   5  -6.022  -0.945  -2.921
   41   1HG2  THR   5           HG1      THR   5  -5.844  -4.475  -2.632
   42   2HG2  THR   5           HG2      THR   5  -5.827  -2.970  -1.668
   43   3HG2  THR   5           HG3      THR   5  -7.346  -3.560  -2.386
   44    H    GLU   6           HN       GLU   6  -4.922  -3.760  -6.267
   45    HA   GLU   6           HA       GLU   6  -4.119  -2.866  -8.482
   46   1HB   GLU   6           HB2      GLU   6  -5.963  -4.320  -8.144
   47   2HB   GLU   6           HB3      GLU   6  -6.956  -2.976  -7.687
   48   1HG   GLU   6           HG2      GLU   6  -7.631  -3.272  -9.845
   49   2HG   GLU   6           HG3      GLU   6  -6.360  -2.085 -10.151
   50    HA   PRO   7           HA       PRO   7  -6.363   1.160  -9.250
   51   1HB   PRO   7           HB2      PRO   7  -7.106   2.742  -6.972
   52   2HB   PRO   7           HB3      PRO   7  -8.140   1.973  -8.205
   53   1HG   PRO   7           HG2      PRO   7  -7.340   0.989  -5.492
   54   2HG   PRO   7           HG3      PRO   7  -8.855   0.671  -6.378
   55   1HD   PRO   7           HD2      PRO   7  -6.922  -1.213  -6.140
   56   2HD   PRO   7           HD3      PRO   7  -7.850  -1.005  -7.660
   57    H    CYS   8           HN       CYS   8  -3.780   0.919  -6.954
   58    HA   CYS   8           HA       CYS   8  -2.813   3.643  -7.268
   59   1HB   CYS   8           HB2      CYS   8  -2.180   2.180  -5.390
   60   2HB   CYS   8           HB3      CYS   8  -1.407   1.094  -6.542
   61    H    ILE   9           HN       ILE   9  -2.673   0.718  -9.362
   62    HA   ILE   9           HA       ILE   9  -0.183   0.768 -10.407
   63    HB   ILE   9           HB       ILE   9  -2.776   0.382 -11.857
   64   1HG1  ILE   9           HG12     ILE   9  -2.139  -1.125  -9.723
   65   2HG1  ILE   9           HG13     ILE   9  -3.160  -1.642 -11.093
   66   1HG2  ILE   9           HG22     ILE   9  -0.856   0.489 -13.462
   67   2HG2  ILE   9           HG23     ILE   9  -0.001  -0.737 -12.509
   68   3HG2  ILE   9           HG21     ILE   9  -1.486  -1.156 -13.392
   69   1HD1  ILE   9           HD3      ILE   9  -1.104  -2.884 -11.880
   70   2HD1  ILE   9           HD1      ILE   9  -0.314  -2.279 -10.401
   71   3HD1  ILE   9           HD2      ILE   9  -1.726  -3.311 -10.265
   72    H    GLY  10           HN       GLY  10   1.018   2.124 -11.601
   73   1HA   GLY  10           HA2      GLY  10   1.737   4.071 -12.529
   74   2HA   GLY  10           HA3      GLY  10   0.589   3.545 -13.764
   75    H    THR  11           HN       THR  11  -0.611   4.713 -10.611
   76    HA   THR  11           HA       THR  11  -1.860   6.971 -12.093
   77    HB   THR  11           HB       THR  11  -2.615   5.677  -9.459
   78    HG1  THR  11           HOG      THR  11  -2.844   4.365 -11.394
   79   1HG2  THR  11           HG1      THR  11  -3.440   8.059  -9.754
   80   2HG2  THR  11           HG2      THR  11  -4.171   7.563 -11.294
   81   3HG2  THR  11           HG3      THR  11  -4.734   6.852  -9.769
   82    H    LYS  12           HN       LYS  12  -1.179   8.946 -11.799
   83    HA   LYS  12           HA       LYS  12  -0.410  10.847 -10.984
   84   1HB   LYS  12           HB2      LYS  12  -1.228  11.554  -8.892
   85   2HB   LYS  12           HB3      LYS  12  -2.428  10.499  -9.613
   86   1HG   LYS  12           HG2      LYS  12  -2.047   8.746  -8.051
   87   2HG   LYS  12           HG3      LYS  12  -0.441   9.319  -7.675
   88   1HD   LYS  12           HD2      LYS  12  -1.704  11.444  -6.690
   89   2HD   LYS  12           HD3      LYS  12  -3.113  10.385  -6.740
   90   1HE   LYS  12           HE2      LYS  12  -2.028  10.273  -4.540
   91   2HE   LYS  12           HE3      LYS  12  -1.868   8.708  -5.360
   92   1HZ   LYS  12           HNZ2     LYS  12   0.205  10.821  -5.282
   93   2HZ   LYS  12           HNZ3     LYS  12   0.197   9.531  -4.257
   94   3HZ   LYS  12           HNZ1     LYS  12   0.443   9.287  -5.840
   95    H    ASP  13           HN       ASP  13   0.598  11.366  -8.191
   96    HA   ASP  13           HA       ASP  13   3.454  10.928  -8.716
   97   1HB   ASP  13           HB2      ASP  13   3.667  12.776  -7.134
   98   2HB   ASP  13           HB3      ASP  13   2.377  13.222  -8.248
   99    H    ALA  14           HN       ALA  14   4.226  11.164  -6.032
  100    HA   ALA  14           HA       ALA  14   3.720   8.471  -5.000
  101   1HB   ALA  14           HB2      ALA  14   5.989   9.343  -5.093
  102   2HB   ALA  14           HB3      ALA  14   5.555  10.708  -4.047
  103   3HB   ALA  14           HB1      ALA  14   5.484   9.043  -3.429
  104    H    SER  15           HN       SER  15   3.964  11.443  -2.914
  105    HA   SER  15           HA       SER  15   2.539  12.396  -1.534
  106   1HB   SER  15           HB2      SER  15   0.183  10.617  -2.071
  107   2HB   SER  15           HB3      SER  15   0.252  12.320  -1.626
  108    HG   SER  15           HOG      SER  15   1.246  12.514  -3.920
  109    H    CYS  16           HN       CYS  16   2.029   8.830  -1.640
  110    HA   CYS  16           HA       CYS  16   1.350   8.763   1.172
  111   1HB   CYS  16           HB2      CYS  16   1.113   6.394   0.825
  112   2HB   CYS  16           HB3      CYS  16   0.150   7.379  -0.277
  113    H    VAL  17           HN       VAL  17   4.384   8.186  -0.559
  114    HA   VAL  17           HA       VAL  17   5.535   6.630   1.635
  115    HB   VAL  17           HB       VAL  17   6.450   6.347  -0.570
  116   1HG1  VAL  17           HG13     VAL  17   6.101   8.569  -1.484
  117   2HG1  VAL  17           HG11     VAL  17   7.400   9.237  -0.481
  118   3HG1  VAL  17           HG12     VAL  17   7.762   8.028  -1.733
  119   1HG2  VAL  17           HG21     VAL  17   7.941   6.120   1.480
  120   2HG2  VAL  17           HG22     VAL  17   8.793   6.440  -0.043
  121   3HG2  VAL  17           HG23     VAL  17   8.549   7.748   1.133
  122    H    GLU  18           HN       GLU  18   5.568  10.017   0.649
  123    HA   GLU  18           HA       GLU  18   7.473  11.094   2.293
  124   1HB   GLU  18           HB2      GLU  18   4.820  12.371   1.453
  125   2HB   GLU  18           HB3      GLU  18   6.284  13.203   1.999
  126   1HG   GLU  18           HG2      GLU  18   6.548  13.465  -0.234
  127   2HG   GLU  18           HG3      GLU  18   7.429  11.954  -0.021
  128    H    VAL  19           HN       VAL  19   4.277  10.017   3.260
  129    HA   VAL  19           HA       VAL  19   4.322  11.622   5.721
  130    HB   VAL  19           HB       VAL  19   2.066  11.191   5.936
  131   1HG1  VAL  19           HG11     VAL  19   2.698  12.609   3.955
  132   2HG1  VAL  19           HG12     VAL  19   2.553  11.171   2.930
  133   3HG1  VAL  19           HG13     VAL  19   1.125  11.802   3.761
  134   1HG2  VAL  19           HG21     VAL  19   1.978   8.727   5.683
  135   2HG2  VAL  19           HG22     VAL  19   0.759   9.530   4.693
  136   3HG2  VAL  19           HG23     VAL  19   2.221   8.905   3.935
  137    H    CYS  20           HN       CYS  20   5.279   8.380   4.830
  138    HA   CYS  20           HA       CYS  20   4.024   7.120   7.035
  139   1HB   CYS  20           HB2      CYS  20   4.432   5.976   5.007
  140   2HB   CYS  20           HB3      CYS  20   6.172   6.176   5.210
  141    HA   PRO  21           HA       PRO  21   6.937   8.302  10.269
  142   1HB   PRO  21           HB2      PRO  21   5.663   5.833  11.489
  143   2HB   PRO  21           HB3      PRO  21   6.088   7.373  12.292
  144   1HG   PRO  21           HG2      PRO  21   3.527   6.929  11.530
  145   2HG   PRO  21           HG3      PRO  21   4.285   8.510  11.158
  146   1HD   PRO  21           HD2      PRO  21   3.919   6.138   9.320
  147   2HD   PRO  21           HD3      PRO  21   3.613   7.876   9.026
  148    H    VAL  22           HN       VAL  22   6.635   4.984   9.005
  149    HA   VAL  22           HA       VAL  22   9.463   4.397   9.801
  150    HB   VAL  22           HB       VAL  22   8.789   2.029   9.824
  151   1HG1  VAL  22           HG11     VAL  22   8.849   3.361  11.909
  152   2HG1  VAL  22           HG12     VAL  22   7.122   3.732  11.717
  153   3HG1  VAL  22           HG13     VAL  22   7.649   2.056  11.963
  154   1HG2  VAL  22           HG22     VAL  22   6.778   2.162   8.337
  155   2HG2  VAL  22           HG23     VAL  22   6.441   1.372   9.886
  156   3HG2  VAL  22           HG21     VAL  22   5.916   3.040   9.621
  157    H    ASP  23           HN       ASP  23   8.327   5.787   7.359
  158    HA   ASP  23           HA       ASP  23   8.747   5.995   5.264
  159   1HB   ASP  23           HB2      ASP  23  10.977   5.865   4.691
  160   2HB   ASP  23           HB3      ASP  23  10.943   6.142   6.430
  161    H    CYS  24           HN       CYS  24   8.329   2.697   5.970
  162    HA   CYS  24           HA       CYS  24   9.454   1.660   3.631
  163   1HB   CYS  24           HB2      CYS  24   9.325   0.639   5.907
  164   2HB   CYS  24           HB3      CYS  24   7.637   0.194   5.556
  165    HG   CYS  24           HSG      CYS  24  10.373  -0.439   3.807
  166    H    ILE  25           HN       ILE  25   7.938   3.253   2.384
  167    HA   ILE  25           HA       ILE  25   5.979   1.545   0.935
  168    HB   ILE  25           HB       ILE  25   6.332   4.578   0.919
  169   1HG1  ILE  25           HG12     ILE  25   3.974   4.766   1.425
  170   2HG1  ILE  25           HG13     ILE  25   3.801   3.022   1.464
  171   1HG2  ILE  25           HG21     ILE  25   4.603   2.826  -0.876
  172   2HG2  ILE  25           HG22     ILE  25   4.539   4.595  -0.818
  173   3HG2  ILE  25           HG23     ILE  25   5.996   3.795  -1.398
  174   1HD1  ILE  25           HD2      ILE  25   5.605   4.577   3.356
  175   2HD1  ILE  25           HD3      ILE  25   3.893   4.214   3.688
  176   3HD1  ILE  25           HD1      ILE  25   5.051   2.891   3.544
  177    H    HIS  26           HN       HIS  26   6.925   0.730  -0.898
  178    HA   HIS  26           HA       HIS  26   9.386   2.045  -1.985
  179   1HB   HIS  26           HB2      HIS  26   8.750  -0.815  -1.278
  180   2HB   HIS  26           HB3      HIS  26  10.127  -0.357  -2.262
  181    HD1  HIS  26           HND      HIS  26  11.441   1.924  -0.589
  182    HD2  HIS  26           HD       HIS  26   9.452  -1.380   1.080
  183    HE1  HIS  26           HE       HIS  26  12.334   1.679   1.791
  184    H    GLU  27           HN       GLU  27   9.877   0.944  -4.192
  185    HA   GLU  27           HA       GLU  27   7.361   1.102  -5.706
  186   1HB   GLU  27           HB2      GLU  27  10.188   1.090  -6.824
  187   2HB   GLU  27           HB3      GLU  27   8.706   1.712  -7.562
  188   1HG   GLU  27           HG2      GLU  27   8.637   3.480  -5.739
  189   2HG   GLU  27           HG3      GLU  27  10.215   2.903  -5.181
  190    H    GLY  28           HN       GLY  28   6.648  -0.534  -7.118
  191   1HA   GLY  28           HA2      GLY  28   8.130  -3.132  -7.197
  192   2HA   GLY  28           HA3      GLY  28   6.437  -2.803  -7.621
  193    H    GLU  29           HN       GLU  29   6.869  -3.859  -9.635
  194    HA   GLU  29           HA       GLU  29   8.588  -3.018 -11.645
  195   1HB   GLU  29           HB2      GLU  29   5.701  -4.060 -11.876
  196   2HB   GLU  29           HB3      GLU  29   6.962  -4.093 -13.090
  197   1HG   GLU  29           HG2      GLU  29   7.240  -6.219 -12.293
  198   2HG   GLU  29           HG3      GLU  29   8.260  -5.432 -11.086
  199    H    ASP  30           HN       ASP  30   5.164  -2.198 -11.339
  200    HA   ASP  30           HA       ASP  30   5.574   0.591 -12.341
  201   1HB   ASP  30           HB2      ASP  30   4.210  -0.722 -13.847
  202   2HB   ASP  30           HB3      ASP  30   3.209  -1.351 -12.547
  203    H    GLN  31           HN       GLN  31   3.146  -1.256 -10.539
  204    HA   GLN  31           HA       GLN  31   2.269   0.709  -8.876
  205   1HB   GLN  31           HB2      GLN  31   1.103  -1.238  -9.386
  206   2HB   GLN  31           HB3      GLN  31   2.305  -2.313  -8.644
  207   1HG   GLN  31           HG2      GLN  31   1.690  -1.578  -6.450
  208   2HG   GLN  31           HG3      GLN  31   0.670  -0.287  -7.084
  209   1HE2  GLN  31           HNE2     GLN  31  -2.127  -2.513  -7.113
  210   2HE2  GLN  31           HNE1     GLN  31  -1.551  -0.880  -6.880
  211    H    TYR  32           HN       TYR  32   2.685   1.411  -6.803
  212    HA   TYR  32           HA       TYR  32   5.271   0.654  -5.597
  213   1HB   TYR  32           HB2      TYR  32   3.122   2.668  -4.844
  214   2HB   TYR  32           HB3      TYR  32   4.526   2.248  -3.861
  215    HD1  TYR  32           HD1      TYR  32   5.436   2.300  -7.401
  216    HD2  TYR  32           HD2      TYR  32   4.760   4.800  -3.934
  217    HE1  TYR  32           HE1      TYR  32   6.894   4.018  -8.351
  218    HE2  TYR  32           HE2      TYR  32   6.229   6.532  -4.927
  219    HH   TYR  32           HOH      TYR  32   8.350   5.806  -7.512
  220    H    TYR  33           HN       TYR  33   5.427  -0.169  -3.507
  221    HA   TYR  33           HA       TYR  33   3.013  -1.616  -2.465
  222   1HB   TYR  33           HB2      TYR  33   5.896  -2.571  -2.456
  223   2HB   TYR  33           HB3      TYR  33   4.541  -3.482  -1.852
  224    HD1  TYR  33           HD1      TYR  33   2.545  -2.986  -4.070
  225    HD2  TYR  33           HD2      TYR  33   6.731  -3.951  -4.214
  226    HE1  TYR  33           HE1      TYR  33   2.259  -3.838  -6.339
  227    HE2  TYR  33           HE2      TYR  33   6.416  -4.867  -6.486
  228    HH   TYR  33           HOH      TYR  33   5.008  -4.926  -8.296
  229    H    ILE  34           HN       ILE  34   3.528  -2.408  -0.219
  230    HA   ILE  34           HA       ILE  34   5.078  -0.471   1.412
  231    HB   ILE  34           HB       ILE  34   2.260  -1.589   1.914
  232   1HG1  ILE  34           HG12     ILE  34   2.736   1.340   2.050
  233   2HG1  ILE  34           HG13     ILE  34   2.789   0.656   0.422
  234   1HG2  ILE  34           HG23     ILE  34   3.962   0.139   3.761
  235   2HG2  ILE  34           HG21     ILE  34   2.230  -0.175   3.983
  236   3HG2  ILE  34           HG22     ILE  34   3.368  -1.501   4.088
  237   1HD1  ILE  34           HD3      ILE  34   0.523  -0.397   0.914
  238   2HD1  ILE  34           HD1      ILE  34   0.483   0.612   2.384
  239   3HD1  ILE  34           HD2      ILE  34   0.577   1.368   0.780
  240    H    ASP  35           HN       ASP  35   5.952  -1.608   3.347
  241    HA   ASP  35           HA       ASP  35   5.685  -4.531   3.289
  242   1HB   ASP  35           HB2      ASP  35   7.949  -3.634   3.509
  243   2HB   ASP  35           HB3      ASP  35   7.448  -2.831   5.008
  244    HA   PRO  36           HA       PRO  36   2.544  -3.466   6.406
  245   1HB   PRO  36           HB2      PRO  36   1.183  -5.858   6.503
  246   2HB   PRO  36           HB3      PRO  36   0.925  -4.516   5.367
  247   1HG   PRO  36           HG2      PRO  36   2.464  -7.118   5.005
  248   2HG   PRO  36           HG3      PRO  36   1.451  -6.286   3.794
  249   1HD   PRO  36           HD2      PRO  36   4.245  -6.175   3.946
  250   2HD   PRO  36           HD3      PRO  36   3.224  -4.940   3.151
  251    H    ASP  37           HN       ASP  37   5.182  -5.685   6.600
  252    HA   ASP  37           HA       ASP  37   4.568  -6.693   9.293
  253   1HB   ASP  37           HB2      ASP  37   5.867  -7.883   7.402
  254   2HB   ASP  37           HB3      ASP  37   7.189  -6.766   7.748
  255    H    VAL  38           HN       VAL  38   6.576  -4.294   7.580
  256    HA   VAL  38           HA       VAL  38   7.770  -3.172   9.996
  257    HB   VAL  38           HB       VAL  38   7.627  -2.253   7.108
  258   1HG1  VAL  38           HG13     VAL  38   8.844  -0.852   9.506
  259   2HG1  VAL  38           HG11     VAL  38   9.380  -0.554   7.845
  260   3HG1  VAL  38           HG12     VAL  38   7.700  -0.212   8.293
  261   1HG2  VAL  38           HG21     VAL  38   9.127  -4.204   7.675
  262   2HG2  VAL  38           HG22     VAL  38  10.003  -2.787   7.082
  263   3HG2  VAL  38           HG23     VAL  38   9.986  -3.157   8.819
  264    H    CYS  39           HN       CYS  39   5.112  -2.200   7.740
  265    HA   CYS  39           HA       CYS  39   4.442   0.234   8.933
  266   1HB   CYS  39           HB2      CYS  39   3.452  -0.623   6.829
  267   2HB   CYS  39           HB3      CYS  39   2.746  -1.889   7.767
  268    H    ILE  40           HN       ILE  40   3.711   0.752  10.902
  269    HA   ILE  40           HA       ILE  40   3.146  -1.345  12.838
  270    HB   ILE  40           HB       ILE  40   3.190   0.493  14.435
  271   1HG1  ILE  40           HG12     ILE  40   4.323   2.669  13.287
  272   2HG1  ILE  40           HG13     ILE  40   3.155   2.276  12.030
  273   1HG2  ILE  40           HG23     ILE  40   5.223  -0.743  13.697
  274   2HG2  ILE  40           HG21     ILE  40   5.530   0.523  12.491
  275   3HG2  ILE  40           HG22     ILE  40   5.574   0.908  14.223
  276   1HD1  ILE  40           HD2      ILE  40   2.503   2.615  14.995
  277   2HD1  ILE  40           HD3      ILE  40   2.308   3.865  13.757
  278   3HD1  ILE  40           HD1      ILE  40   1.331   2.388  13.674
  279    H    ASP  41           HN       ASP  41   1.001  -1.135  10.803
  280    HA   ASP  41           HA       ASP  41  -1.111  -0.414  10.455
  281   1HB   ASP  41           HB2      ASP  41  -1.192  -2.471  12.031
  282   2HB   ASP  41           HB3      ASP  41  -1.764  -1.336  13.258
  283    H    CYS  42           HN       CYS  42  -0.122   1.817  10.534
  284    HA   CYS  42           HA       CYS  42  -1.117   3.456  12.765
  285   1HB   CYS  42           HB2      CYS  42   0.396   4.918  12.329
  286   2HB   CYS  42           HB3      CYS  42   1.236   3.549  11.612
  287    H    GLY  43           HN       GLY  43  -2.005   2.883   9.405
  288   1HA   GLY  43           HA2      GLY  43  -4.042   3.304   8.449
  289   2HA   GLY  43           HA3      GLY  43  -4.542   4.188   9.889
  290    H    ALA  44           HN       ALA  44  -2.077   6.026   9.534
  291    HA   ALA  44           HA       ALA  44  -3.394   8.197   8.533
  292   1HB   ALA  44           HB2      ALA  44  -1.262   8.296   9.765
  293   2HB   ALA  44           HB3      ALA  44  -0.389   7.713   8.333
  294   3HB   ALA  44           HB1      ALA  44  -1.204   9.290   8.296
  295    H    CYS  45           HN       CYS  45  -1.145   6.199   6.586
  296    HA   CYS  45           HA       CYS  45  -1.402   7.709   4.217
  297   1HB   CYS  45           HB2      CYS  45  -0.312   5.878   3.134
  298   2HB   CYS  45           HB3      CYS  45   0.483   6.316   4.630
  299    H    GLU  46           HN       GLU  46  -3.319   4.955   5.426
  300    HA   GLU  46           HA       GLU  46  -4.906   4.399   3.157
  301   1HB   GLU  46           HB2      GLU  46  -5.033   3.767   5.973
  302   2HB   GLU  46           HB3      GLU  46  -6.579   4.480   5.530
  303   1HG   GLU  46           HG2      GLU  46  -6.702   2.828   3.622
  304   2HG   GLU  46           HG3      GLU  46  -5.238   2.067   4.275
  305    H    ALA  47           HN       ALA  47  -5.225   6.946   5.621
  306    HA   ALA  47           HA       ALA  47  -7.633   8.079   4.494
  307   1HB   ALA  47           HB3      ALA  47  -6.166   8.424   6.882
  308   2HB   ALA  47           HB1      ALA  47  -6.055   9.985   6.052
  309   3HB   ALA  47           HB2      ALA  47  -7.640   9.272   6.388
  310    H    VAL  48           HN       VAL  48  -4.112   8.815   4.147
  311    HA   VAL  48           HA       VAL  48  -4.622  11.227   2.772
  312    HB   VAL  48           HB       VAL  48  -2.549  10.164   4.093
  313   1HG1  VAL  48           HG11     VAL  48  -1.814   8.788   2.163
  314   2HG1  VAL  48           HG12     VAL  48  -1.597  10.272   1.197
  315   3HG1  VAL  48           HG13     VAL  48  -0.607   9.995   2.639
  316   1HG2  VAL  48           HG22     VAL  48  -3.064  12.466   3.910
  317   2HG2  VAL  48           HG23     VAL  48  -1.355  12.208   3.519
  318   3HG2  VAL  48           HG21     VAL  48  -2.527  12.518   2.210
  319    H    CYS  49           HN       CYS  49  -4.025   7.897   1.600
  320    HA   CYS  49           HA       CYS  49  -3.397   8.474  -1.049
  321   1HB   CYS  49           HB2      CYS  49  -3.257   6.228  -0.020
  322   2HB   CYS  49           HB3      CYS  49  -5.000   6.173   0.016
  323    HA   PRO  50           HA       PRO  50  -7.263  10.594  -1.836
  324   1HB   PRO  50           HB2      PRO  50  -7.022  11.029  -4.597
  325   2HB   PRO  50           HB3      PRO  50  -6.314  12.034  -3.304
  326   1HG   PRO  50           HG2      PRO  50  -4.991   9.890  -4.950
  327   2HG   PRO  50           HG3      PRO  50  -4.314  11.447  -4.393
  328   1HD   PRO  50           HD2      PRO  50  -3.773   9.048  -3.189
  329   2HD   PRO  50           HD3      PRO  50  -3.845  10.573  -2.255
  330    H    VAL  51           HN       VAL  51  -6.315   7.762  -3.710
  331    HA   VAL  51           HA       VAL  51  -9.088   7.253  -4.612
  332    HB   VAL  51           HB       VAL  51  -6.497   5.746  -5.141
  333   1HG1  VAL  51           HG12     VAL  51  -9.250   5.651  -6.462
  334   2HG1  VAL  51           HG13     VAL  51  -7.786   4.944  -7.167
  335   3HG1  VAL  51           HG11     VAL  51  -8.412   4.317  -5.637
  336   1HG2  VAL  51           HG23     VAL  51  -6.433   8.122  -6.037
  337   2HG2  VAL  51           HG21     VAL  51  -6.406   6.883  -7.284
  338   3HG2  VAL  51           HG22     VAL  51  -7.912   7.759  -6.945
  339    H    SER  52           HN       SER  52  -7.207   6.642  -1.824
  340    HA   SER  52           HA       SER  52  -6.909   5.016  -0.364
  341   1HB   SER  52           HB2      SER  52  -8.857   4.018   0.654
  342   2HB   SER  52           HB3      SER  52  -9.153   5.724   0.293
  343    HG   SER  52           HOG      SER  52 -10.089   4.681  -1.783
  344    H    ALA  53           HN       ALA  53  -6.036   4.309  -2.854
  345    HA   ALA  53           HA       ALA  53  -6.597   1.568  -3.492
  346   1HB   ALA  53           HB2      ALA  53  -5.285   3.091  -4.977
  347   2HB   ALA  53           HB3      ALA  53  -3.986   3.126  -3.761
  348   3HB   ALA  53           HB1      ALA  53  -4.400   1.603  -4.576
  349    H    ILE  54           HN       ILE  54  -4.628   3.185  -1.006
  350    HA   ILE  54           HA       ILE  54  -3.517   0.705   0.010
  351    HB   ILE  54           HB       ILE  54  -3.898   3.384   1.380
  352   1HG1  ILE  54           HG12     ILE  54  -1.533   2.185  -0.130
  353   2HG1  ILE  54           HG13     ILE  54  -2.518   3.569  -0.625
  354   1HG2  ILE  54           HG23     ILE  54  -3.576   1.389   2.917
  355   2HG2  ILE  54           HG21     ILE  54  -2.051   1.052   2.090
  356   3HG2  ILE  54           HG22     ILE  54  -2.273   2.561   3.007
  357   1HD1  ILE  54           HD2      ILE  54  -1.773   4.806   1.411
  358   2HD1  ILE  54           HD3      ILE  54  -0.627   3.481   1.743
  359   3HD1  ILE  54           HD1      ILE  54  -0.478   4.424   0.258
  360    H    TYR  55           HN       TYR  55  -4.650  -0.829   1.123
  361    HA   TYR  55           HA       TYR  55  -6.909  -0.143   2.878
  362   1HB   TYR  55           HB2      TYR  55  -6.838  -2.017   0.562
  363   2HB   TYR  55           HB3      TYR  55  -7.999  -2.269   1.867
  364    HD1  TYR  55           HD1      TYR  55  -8.964   0.535   2.377
  365    HD2  TYR  55           HD2      TYR  55  -8.280  -1.640  -1.291
  366    HE1  TYR  55           HE1      TYR  55 -10.602   1.963   1.215
  367    HE2  TYR  55           HE2      TYR  55  -9.996  -0.261  -2.417
  368    HH   TYR  55           HOH      TYR  55 -10.978   2.749  -1.081
  369    H    HIS  56           HN       HIS  56  -7.142  -1.514   4.581
  370    HA   HIS  56           HA       HIS  56  -4.889  -3.102   5.307
  371   1HB   HIS  56           HB2      HIS  56  -6.736  -2.084   6.752
  372   2HB   HIS  56           HB3      HIS  56  -7.753  -3.440   6.293
  373    HD1  HIS  56           HND      HIS  56  -7.284  -5.743   7.635
  374    HD2  HIS  56           HD       HIS  56  -4.283  -2.815   7.959
  375    HE1  HIS  56           HE       HIS  56  -5.420  -6.766   9.030
  376    H    GLU  57           HN       GLU  57  -4.597  -5.461   5.332
  377    HA   GLU  57           HA       GLU  57  -5.306  -6.625   2.952
  378   1HB   GLU  57           HB2      GLU  57  -4.335  -8.535   3.694
  379   2HB   GLU  57           HB3      GLU  57  -3.367  -7.250   4.413
  380   1HG   GLU  57           HG2      GLU  57  -3.805  -7.881   6.500
  381   2HG   GLU  57           HG3      GLU  57  -5.453  -8.456   6.180
  382    H    ASP  58           HN       ASP  58  -7.249  -6.394   5.722
  383    HA   ASP  58           HA       ASP  58  -8.943  -8.722   5.221
  384   1HB   ASP  58           HB2      ASP  58  -8.248  -7.920   7.523
  385   2HB   ASP  58           HB3      ASP  58  -9.265  -6.479   7.262
  386    H    PHE  59           HN       PHE  59  -9.052  -5.104   4.932
  387    HA   PHE  59           HA       PHE  59 -11.732  -4.862   4.018
  388   1HB   PHE  59           HB2      PHE  59  -9.197  -3.224   3.623
  389   2HB   PHE  59           HB3      PHE  59 -10.823  -2.725   3.279
  390    HD1  PHE  59           HD1      PHE  59 -11.343  -4.364   6.312
  391    HD2  PHE  59           HD2      PHE  59  -9.347  -0.867   4.709
  392    HE1  PHE  59           HE1      PHE  59 -11.201  -3.395   8.564
  393    HE2  PHE  59           HE2      PHE  59  -9.198   0.079   6.968
  394    HZ   PHE  59           HZ       PHE  59 -10.120  -1.177   8.917
  395    H    VAL  60           HN       VAL  60  -8.518  -5.372   2.614
  396    HA   VAL  60           HA       VAL  60  -9.128  -5.125  -0.070
  397    HB   VAL  60           HB       VAL  60  -7.041  -6.493   1.567
  398   1HG1  VAL  60           HG11     VAL  60  -7.498  -7.416  -1.206
  399   2HG1  VAL  60           HG12     VAL  60  -5.845  -6.990  -0.782
  400   3HG1  VAL  60           HG13     VAL  60  -6.691  -8.167   0.187
  401   1HG2  VAL  60           HG23     VAL  60  -7.381  -4.100  -0.083
  402   2HG2  VAL  60           HG21     VAL  60  -6.203  -4.441   1.212
  403   3HG2  VAL  60           HG22     VAL  60  -5.908  -4.935  -0.462
  404    HA   PRO  61           HA       PRO  61 -11.808  -8.540  -0.876
  405   1HB   PRO  61           HB2      PRO  61 -11.610  -8.628  -3.638
  406   2HB   PRO  61           HB3      PRO  61 -12.554  -7.415  -2.752
  407   1HG   PRO  61           HG2      PRO  61  -9.793  -7.152  -3.937
  408   2HG   PRO  61           HG3      PRO  61 -11.117  -5.957  -3.951
  409   1HD   PRO  61           HD2      PRO  61  -8.995  -5.842  -2.160
  410   2HD   PRO  61           HD3      PRO  61 -10.648  -5.259  -1.775
  411    H    GLU  62           HN       GLU  62 -11.557 -10.774  -1.281
  412    HA   GLU  62           HA       GLU  62  -9.178 -12.021  -0.914
  413   1HB   GLU  62           HB2      GLU  62 -11.536 -13.004  -0.939
  414   2HB   GLU  62           HB3      GLU  62 -11.372 -13.163  -2.695
  415   1HG   GLU  62           HG2      GLU  62 -10.829 -15.272  -1.579
  416   2HG   GLU  62           HG3      GLU  62  -9.362 -14.619  -2.324
  417    H    GLU  63           HN       GLU  63 -10.603 -11.096  -3.997
  418    HA   GLU  63           HA       GLU  63  -8.934 -12.069  -5.948
  419   1HB   GLU  63           HB2      GLU  63 -10.947 -10.720  -6.283
  420   2HB   GLU  63           HB3      GLU  63 -10.092  -9.266  -5.727
  421   1HG   GLU  63           HG2      GLU  63  -8.548  -9.464  -7.662
  422   2HG   GLU  63           HG3      GLU  63  -9.374 -10.943  -8.173
  423    H    TRP  64           HN       TRP  64  -8.322  -9.230  -3.842
  424    HA   TRP  64           HA       TRP  64  -5.609  -8.880  -5.037
  425   1HB   TRP  64           HB2      TRP  64  -7.434  -6.913  -3.639
  426   2HB   TRP  64           HB3      TRP  64  -5.797  -6.564  -4.146
  427    HD1  TRP  64           HD       TRP  64  -6.260  -8.327  -6.966
  428    HE1  TRP  64           HNE      TRP  64  -7.481  -7.270  -8.904
  429    HE3  TRP  64           HE       TRP  64  -8.558  -4.469  -4.469
  430    HZ2  TRP  64           HZ1      TRP  64  -9.276  -5.096  -9.357
  431    HZ3  TRP  64           HZ2      TRP  64  -9.848  -2.794  -5.781
  432    HH2  TRP  64           HH       TRP  64 -10.276  -3.147  -8.196
  433    H    LYS  65           HN       LYS  65  -6.832 -10.528  -2.465
  434    HA   LYS  65           HA       LYS  65  -4.722  -9.860  -0.608
  435   1HB   LYS  65           HB2      LYS  65  -6.248 -12.444  -1.012
  436   2HB   LYS  65           HB3      LYS  65  -5.028 -12.179   0.236
  437   1HG   LYS  65           HG2      LYS  65  -6.368 -10.191   1.070
  438   2HG   LYS  65           HG3      LYS  65  -7.615 -10.606  -0.106
  439   1HD   LYS  65           HD2      LYS  65  -8.440 -11.746   1.761
  440   2HD   LYS  65           HD3      LYS  65  -7.464 -13.002   1.020
  441   1HE   LYS  65           HE2      LYS  65  -6.733 -13.127   3.229
  442   2HE   LYS  65           HE3      LYS  65  -5.503 -12.076   2.524
  443   1HZ   LYS  65           HNZ1     LYS  65  -6.909 -10.176   3.385
  444   2HZ   LYS  65           HNZ2     LYS  65  -7.778 -11.289   4.221
  445   3HZ   LYS  65           HNZ3     LYS  65  -6.163 -11.100   4.501
  446    H    SER  66           HN       SER  66  -4.777 -11.390  -3.735
  447    HA   SER  66           HA       SER  66  -2.301 -12.720  -3.853
  448   1HB   SER  66           HB2      SER  66  -2.358 -11.860  -6.244
  449   2HB   SER  66           HB3      SER  66  -3.831 -12.704  -5.727
  450    HG   SER  66           HOG      SER  66  -4.888 -10.908  -6.076
  451    H    TYR  67           HN       TYR  67  -2.995  -9.264  -4.548
  452    HA   TYR  67           HA       TYR  67  -0.288  -8.403  -4.704
  453   1HB   TYR  67           HB2      TYR  67  -2.835  -6.921  -3.866
  454   2HB   TYR  67           HB3      TYR  67  -1.271  -6.149  -3.890
  455    HD1  TYR  67           HD2      TYR  67   0.084  -6.548  -6.245
  456    HD2  TYR  67           HD1      TYR  67  -4.197  -6.646  -5.766
  457    HE1  TYR  67           HE2      TYR  67  -0.209  -6.115  -8.670
  458    HE2  TYR  67           HE1      TYR  67  -4.476  -6.150  -8.177
  459    HH   TYR  67           HOH      TYR  67  -3.368  -5.437 -10.117
  460    H    ILE  68           HN       ILE  68  -2.444  -8.677  -1.795
  461    HA   ILE  68           HA       ILE  68  -0.644  -7.310  -0.193
  462    HB   ILE  68           HB       ILE  68  -2.764  -9.433   0.249
  463   1HG1  ILE  68           HG12     ILE  68  -4.174  -7.827   0.949
  464   2HG1  ILE  68           HG13     ILE  68  -2.911  -6.849   1.689
  465   1HG2  ILE  68           HG21     ILE  68  -1.129  -8.283   2.511
  466   2HG2  ILE  68           HG22     ILE  68  -2.619  -9.245   2.665
  467   3HG2  ILE  68           HG23     ILE  68  -1.192  -9.980   1.987
  468   1HD1  ILE  68           HD2      ILE  68  -2.282  -5.978  -0.593
  469   2HD1  ILE  68           HD3      ILE  68  -3.632  -6.898  -1.254
  470   3HD1  ILE  68           HD1      ILE  68  -3.912  -5.614  -0.080
  471    H    GLN  69           HN       GLN  69  -0.969 -10.823  -0.823
  472    HA   GLN  69           HA       GLN  69   1.393 -11.657   0.606
  473   1HB   GLN  69           HB2      GLN  69  -0.422 -12.757  -1.529
  474   2HB   GLN  69           HB3      GLN  69   1.190 -13.445  -1.384
  475   1HG   GLN  69           HG2      GLN  69  -0.594 -14.598   0.010
  476   2HG   GLN  69           HG3      GLN  69   0.878 -14.117   0.855
  477   1HE2  GLN  69           HNE2     GLN  69  -2.593 -12.023   1.725
  478   2HE2  GLN  69           HNE1     GLN  69  -2.318 -12.515   0.068
  479    H    LYS  70           HN       LYS  70   1.000 -10.393  -2.764
  480    HA   LYS  70           HA       LYS  70   3.708 -10.662  -3.418
  481   1HB   LYS  70           HB2      LYS  70   1.700  -9.845  -4.892
  482   2HB   LYS  70           HB3      LYS  70   2.069  -8.247  -4.251
  483   1HG   LYS  70           HG2      LYS  70   4.412  -8.432  -5.082
  484   2HG   LYS  70           HG3      LYS  70   3.994  -9.989  -5.824
  485   1HD   LYS  70           HD2      LYS  70   2.158  -8.798  -7.106
  486   2HD   LYS  70           HD3      LYS  70   2.732  -7.267  -6.406
  487   1HE   LYS  70           HE2      LYS  70   5.013  -7.737  -7.416
  488   2HE   LYS  70           HE3      LYS  70   4.319  -9.156  -8.223
  489   1HZ   LYS  70           HNZ2     LYS  70   2.797  -7.589  -9.354
  490   2HZ   LYS  70           HNZ3     LYS  70   3.590  -6.330  -8.609
  491   3HZ   LYS  70           HNZ1     LYS  70   4.389  -7.290  -9.652
  492    H    ASN  71           HN       ASN  71   2.215  -7.718  -1.910
  493    HA   ASN  71           HA       ASN  71   4.598  -6.276  -1.472
  494   1HB   ASN  71           HB2      ASN  71   1.972  -6.580   0.060
  495   2HB   ASN  71           HB3      ASN  71   3.230  -5.513   0.632
  496   1HD2  ASN  71           HND2     ASN  71   1.463  -4.490  -2.963
  497   2HD2  ASN  71           HND1     ASN  71   1.568  -6.186  -2.558
  498    H    ARG  72           HN       ARG  72   3.030  -8.781   0.496
  499    HA   ARG  72           HA       ARG  72   4.855  -8.804   2.639
  500   1HB   ARG  72           HB2      ARG  72   2.543 -10.090   2.046
  501   2HB   ARG  72           HB3      ARG  72   3.698 -11.394   1.758
  502   1HG   ARG  72           HG2      ARG  72   4.439 -11.355   4.024
  503   2HG   ARG  72           HG3      ARG  72   3.737  -9.759   4.305
  504   1HD   ARG  72           HD2      ARG  72   1.659 -11.616   3.401
  505   2HD   ARG  72           HD3      ARG  72   2.500 -12.276   4.803
  506    HE   ARG  72           HNE      ARG  72   2.145  -9.835   5.716
  507   1HH1  ARG  72           HN22     ARG  72  -0.395 -11.803   3.984
  508   2HH1  ARG  72           HN21     ARG  72  -1.630 -10.997   4.975
  509   1HH2  ARG  72           HN12     ARG  72   0.343  -8.880   6.805
  510   2HH2  ARG  72           HN11     ARG  72  -1.262  -9.485   6.377
  511    H    ASP  73           HN       ASP  73   4.962 -10.558  -0.567
  512    HA   ASP  73           HA       ASP  73   7.118 -12.183   0.187
  513   1HB   ASP  73           HB2      ASP  73   5.330 -11.797  -2.040
  514   2HB   ASP  73           HB3      ASP  73   6.925 -12.235  -2.512
  515    H    PHE  74           HN       PHE  74   6.745  -9.136  -1.568
  516    HA   PHE  74           HA       PHE  74   9.343  -8.761  -2.557
  517   1HB   PHE  74           HB2      PHE  74   7.008  -7.064  -1.861
  518   2HB   PHE  74           HB3      PHE  74   8.526  -6.241  -1.652
  519    HD1  PHE  74           HD2      PHE  74   7.038  -8.637  -4.153
  520    HD2  PHE  74           HD1      PHE  74   9.336  -5.050  -3.498
  521    HE1  PHE  74           HE2      PHE  74   7.297  -8.341  -6.614
  522    HE2  PHE  74           HE1      PHE  74   9.537  -4.724  -5.940
  523    HZ   PHE  74           HZ       PHE  74   8.466  -6.336  -7.508
  524    H    PHE  75           HN       PHE  75   8.132  -8.143   0.770
  525    HA   PHE  75           HA       PHE  75  10.932  -7.491   1.604
  526   1HB   PHE  75           HB2      PHE  75   8.317  -6.631   2.864
  527   2HB   PHE  75           HB3      PHE  75   9.922  -6.001   3.157
  528    HD1  PHE  75           HD1      PHE  75  11.151  -5.063   0.917
  529    HD2  PHE  75           HD2      PHE  75   6.891  -5.355   1.505
  530    HE1  PHE  75           HE1      PHE  75  10.779  -3.475  -0.951
  531    HE2  PHE  75           HE2      PHE  75   6.519  -3.761  -0.336
  532    HZ   PHE  75           HZ       PHE  75   8.458  -2.881  -1.625
  533    H    LYS  76           HN       LYS  76   9.697 -10.318   1.605
  534    HA   LYS  76           HA       LYS  76   8.851 -10.621   4.327
  535   1HB   LYS  76           HB2      LYS  76   8.433 -12.024   1.999
  536   2HB   LYS  76           HB3      LYS  76   9.582 -13.028   2.903
  537   1HG   LYS  76           HG2      LYS  76   8.100 -13.577   4.559
  538   2HG   LYS  76           HG3      LYS  76   7.218 -12.052   4.451
  539   1HD   LYS  76           HD2      LYS  76   5.854 -13.980   3.727
  540   2HD   LYS  76           HD3      LYS  76   6.018 -12.701   2.512
  541   1HE   LYS  76           HE2      LYS  76   7.722 -14.002   1.303
  542   2HE   LYS  76           HE3      LYS  76   7.633 -15.299   2.505
  543   1HZ   LYS  76           HNZ2     LYS  76   5.326 -14.422   0.850
  544   2HZ   LYS  76           HNZ3     LYS  76   6.408 -15.395   0.294
  545   3HZ   LYS  76           HNZ1     LYS  76   5.513 -15.879   1.632
  546    H    LYS  77           HN       LYS  77   9.659 -12.177   5.713
  547    HA   LYS  77           HA       LYS  77  12.294 -12.870   6.411
  548   1HB   LYS  77           HB2      LYS  77  12.148 -10.868   7.954
  549   2HB   LYS  77           HB3      LYS  77  12.570 -10.500   6.272
  550   1HG   LYS  77           HG2      LYS  77  10.911  -9.122   6.040
  551   2HG   LYS  77           HG3      LYS  77   9.681 -10.258   6.514
  552   1HD   LYS  77           HD2      LYS  77  11.308  -8.386   8.301
  553   2HD   LYS  77           HD3      LYS  77   9.607  -8.219   7.878
  554   1HE   LYS  77           HE2      LYS  77  10.850 -10.357   9.682
  555   2HE   LYS  77           HE3      LYS  77   9.778  -9.030  10.146
  556   1HZ   LYS  77           HNZ2     LYS  77   8.989 -11.317   8.433
  557   2HZ   LYS  77           HNZ3     LYS  77   8.621 -11.107  10.010
  558   3HZ   LYS  77           HNZ1     LYS  77   8.007 -10.079   8.923
   
  No H/Q in entry =         557
  Start of MODEL    7
    1   1H    ALA   1           HN1      ALA   1  -1.521  -3.072   9.399
    2   2H    ALA   1           HN2      ALA   1   0.136  -2.948   9.424
    3   2H    ALA   1           HN3      ALA   1   0.136  -2.948   9.424
    4    HA   ALA   1           HA       ALA   1   0.056  -2.681   7.335
    5   1HB   ALA   1           HB3      ALA   1   0.357  -5.354   7.783
    6   2HB   ALA   1           HB1      ALA   1  -0.704  -5.244   6.359
    7   3HB   ALA   1           HB2      ALA   1   0.809  -4.286   6.415
    8    H    TYR   2           HN       TYR   2  -1.012  -1.231   6.689
    9    HA   TYR   2           HA       TYR   2  -3.516  -1.614   5.201
   10   1HB   TYR   2           HB2      TYR   2  -1.839   0.682   6.219
   11   2HB   TYR   2           HB3      TYR   2  -2.798   0.894   4.783
   12    HD1  TYR   2           HD2      TYR   2  -5.285   0.359   4.836
   13    HD2  TYR   2           HD1      TYR   2  -2.909   0.824   8.400
   14    HE1  TYR   2           HE2      TYR   2  -7.251   1.256   6.030
   15    HE2  TYR   2           HE1      TYR   2  -4.865   1.786   9.567
   16    HH   TYR   2           HOH      TYR   2  -6.683   3.427   8.149
   17    H    VAL   3           HN       VAL   3  -3.207  -2.229   3.152
   18    HA   VAL   3           HA       VAL   3  -0.448  -2.176   1.955
   19    HB   VAL   3           HB       VAL   3  -2.362  -4.461   1.716
   20   1HG1  VAL   3           HG13     VAL   3   0.683  -4.155   1.537
   21   2HG1  VAL   3           HG11     VAL   3  -0.147  -5.710   1.475
   22   3HG1  VAL   3           HG12     VAL   3  -0.437  -4.523   0.202
   23   1HG2  VAL   3           HG21     VAL   3  -0.457  -4.019   4.033
   24   2HG2  VAL   3           HG22     VAL   3  -2.201  -4.396   4.078
   25   3HG2  VAL   3           HG23     VAL   3  -1.050  -5.622   3.561
   26    H    ILE   4           HN       ILE   4  -0.403  -2.485  -0.299
   27    HA   ILE   4           HA       ILE   4  -2.068  -0.616  -1.559
   28    HB   ILE   4           HB       ILE   4   0.384  -1.863  -2.064
   29   1HG1  ILE   4           HG12     ILE   4   0.259  -0.950  -4.427
   30   2HG1  ILE   4           HG13     ILE   4  -1.426  -0.518  -4.149
   31   1HG2  ILE   4           HG23     ILE   4  -0.572  -3.928  -2.533
   32   2HG2  ILE   4           HG21     ILE   4  -1.384  -3.296  -4.010
   33   3HG2  ILE   4           HG22     ILE   4   0.369  -3.246  -3.888
   34   1HD1  ILE   4           HD2      ILE   4   0.835   0.415  -2.316
   35   2HD1  ILE   4           HD3      ILE   4   0.346   1.312  -3.753
   36   3HD1  ILE   4           HD1      ILE   4  -0.813   1.075  -2.436
   37    H    THR   5           HN       THR   5  -3.537  -0.901  -3.448
   38    HA   THR   5           HA       THR   5  -4.132  -3.651  -4.158
   39    HB   THR   5           HB       THR   5  -6.546  -3.221  -4.427
   40    HG1  THR   5           HOG      THR   5  -6.032  -0.911  -2.875
   41   1HG2  THR   5           HG1      THR   5  -5.727  -4.440  -2.429
   42   2HG2  THR   5           HG2      THR   5  -5.745  -2.909  -1.524
   43   3HG2  THR   5           HG3      THR   5  -7.260  -3.583  -2.172
   44    H    GLU   6           HN       GLU   6  -5.159  -3.762  -6.183
   45    HA   GLU   6           HA       GLU   6  -4.382  -2.922  -8.435
   46   1HB   GLU   6           HB2      GLU   6  -6.220  -4.390  -8.001
   47   2HB   GLU   6           HB3      GLU   6  -7.224  -3.008  -7.645
   48   1HG   GLU   6           HG2      GLU   6  -7.849  -3.598  -9.774
   49   2HG   GLU   6           HG3      GLU   6  -6.751  -2.255 -10.098
   50    HA   PRO   7           HA       PRO   7  -6.730   1.231  -8.969
   51   1HB   PRO   7           HB2      PRO   7  -7.126   2.683  -6.531
   52   2HB   PRO   7           HB3      PRO   7  -8.338   1.966  -7.622
   53   1HG   PRO   7           HG2      PRO   7  -7.111   0.799  -5.133
   54   2HG   PRO   7           HG3      PRO   7  -8.788   0.631  -5.727
   55   1HD   PRO   7           HD2      PRO   7  -7.034  -1.376  -6.005
   56   2HD   PRO   7           HD3      PRO   7  -8.130  -0.966  -7.348
   57    H    CYS   8           HN       CYS   8  -4.038   0.783  -6.666
   58    HA   CYS   8           HA       CYS   8  -2.946   3.428  -7.079
   59   1HB   CYS   8           HB2      CYS   8  -2.249   1.981  -5.222
   60   2HB   CYS   8           HB3      CYS   8  -1.614   0.826  -6.397
   61    H    ILE   9           HN       ILE   9  -3.026   0.503  -9.162
   62    HA   ILE   9           HA       ILE   9  -0.540   0.715 -10.294
   63    HB   ILE   9           HB       ILE   9  -3.129  -0.215 -11.521
   64   1HG1  ILE   9           HG12     ILE   9  -3.087  -2.107 -10.363
   65   2HG1  ILE   9           HG13     ILE   9  -1.455  -2.434 -10.873
   66   1HG2  ILE   9           HG21     ILE   9  -1.371   0.105 -13.259
   67   2HG2  ILE   9           HG22     ILE   9  -0.231  -0.837 -12.282
   68   3HG2  ILE   9           HG23     ILE   9  -1.652  -1.616 -13.010
   69   1HD1  ILE   9           HD1      ILE   9  -0.585  -1.101  -8.939
   70   2HD1  ILE   9           HD2      ILE   9  -2.229  -1.073  -8.281
   71   3HD1  ILE   9           HD3      ILE   9  -1.444  -2.611  -8.561
   72    H    GLY  10           HN       GLY  10   0.445   2.110 -11.632
   73   1HA   GLY  10           HA2      GLY  10   0.773   3.619 -13.267
   74   2HA   GLY  10           HA3      GLY  10  -0.906   3.435 -13.777
   75    H    THR  11           HN       THR  11  -0.897   4.406 -10.464
   76    HA   THR  11           HA       THR  11  -1.541   7.182 -11.166
   77    HB   THR  11           HB       THR  11  -1.587   7.527  -8.722
   78    HG1  THR  11           HOG      THR  11  -1.157   4.772  -8.356
   79   1HG2  THR  11           HG2      THR  11  -3.118   5.047  -9.651
   80   2HG2  THR  11           HG3      THR  11  -3.495   6.036  -8.228
   81   3HG2  THR  11           HG1      THR  11  -3.616   6.734  -9.853
   82    H    LYS  12           HN       LYS  12   0.901   5.757  -9.082
   83    HA   LYS  12           HA       LYS  12   3.057   6.172  -8.624
   84   1HB   LYS  12           HB2      LYS  12   3.175   5.889 -11.254
   85   2HB   LYS  12           HB3      LYS  12   3.430   7.630 -11.266
   86   1HG   LYS  12           HG2      LYS  12   5.599   6.740 -11.249
   87   2HG   LYS  12           HG3      LYS  12   5.347   7.167  -9.550
   88   1HD   LYS  12           HD2      LYS  12   4.656   4.740  -9.134
   89   2HD   LYS  12           HD3      LYS  12   4.975   4.428 -10.846
   90   1HE   LYS  12           HE2      LYS  12   7.364   5.074 -10.499
   91   2HE   LYS  12           HE3      LYS  12   7.043   5.366  -8.784
   92   1HZ   LYS  12           HNZ1     LYS  12   6.740   2.777 -10.168
   93   2HZ   LYS  12           HNZ2     LYS  12   8.006   3.232  -9.176
   94   3HZ   LYS  12           HNZ3     LYS  12   6.483   2.989  -8.581
   95    H    ASP  13           HN       ASP  13   1.350   7.733  -7.395
   96    HA   ASP  13           HA       ASP  13   1.965  10.576  -7.781
   97   1HB   ASP  13           HB2      ASP  13  -0.310   9.575  -7.154
   98   2HB   ASP  13           HB3      ASP  13   0.356   9.307  -5.538
   99    H    ALA  14           HN       ALA  14   2.259  11.595  -5.350
  100    HA   ALA  14           HA       ALA  14   4.763  10.416  -4.190
  101   1HB   ALA  14           HB3      ALA  14   5.190  12.501  -5.467
  102   2HB   ALA  14           HB1      ALA  14   3.983  13.344  -4.467
  103   3HB   ALA  14           HB2      ALA  14   5.467  12.710  -3.724
  104    H    SER  15           HN       SER  15   1.458  11.282  -3.671
  105    HA   SER  15           HA       SER  15   1.451  12.449  -1.204
  106   1HB   SER  15           HB2      SER  15  -0.530  10.429  -2.339
  107   2HB   SER  15           HB3      SER  15  -0.834  11.494  -0.955
  108    HG   SER  15           HOG      SER  15  -0.221  12.281  -3.629
  109    H    CYS  16           HN       CYS  16   1.369   8.849  -1.690
  110    HA   CYS  16           HA       CYS  16   1.269   8.401   1.136
  111   1HB   CYS  16           HB2      CYS  16   1.488   6.118   0.636
  112   2HB   CYS  16           HB3      CYS  16   0.266   6.872  -0.380
  113    H    VAL  17           HN       VAL  17   3.972   8.090  -1.199
  114    HA   VAL  17           HA       VAL  17   5.645   6.684   0.407
  115    HB   VAL  17           HB       VAL  17   6.041   7.079  -1.941
  116   1HG1  VAL  17           HG13     VAL  17   5.707   9.632  -1.807
  117   2HG1  VAL  17           HG11     VAL  17   7.407   9.718  -1.320
  118   3HG1  VAL  17           HG12     VAL  17   6.957   9.020  -2.890
  119   1HG2  VAL  17           HG23     VAL  17   7.871   6.183  -0.504
  120   2HG2  VAL  17           HG21     VAL  17   8.477   7.099  -1.898
  121   3HG2  VAL  17           HG22     VAL  17   8.490   7.832  -0.284
  122    H    GLU  18           HN       GLU  18   5.498  10.274   0.531
  123    HA   GLU  18           HA       GLU  18   7.767  10.473   2.248
  124   1HB   GLU  18           HB2      GLU  18   5.476  12.446   1.842
  125   2HB   GLU  18           HB3      GLU  18   7.031  12.777   2.619
  126   1HG   GLU  18           HG2      GLU  18   8.202  12.152   0.516
  127   2HG   GLU  18           HG3      GLU  18   6.630  12.006  -0.300
  128    H    VAL  19           HN       VAL  19   4.393   9.724   3.057
  129    HA   VAL  19           HA       VAL  19   4.648  11.206   5.558
  130    HB   VAL  19           HB       VAL  19   2.337  10.966   5.839
  131   1HG1  VAL  19           HG11     VAL  19   3.128  12.592   4.167
  132   2HG1  VAL  19           HG12     VAL  19   2.933  11.386   2.884
  133   3HG1  VAL  19           HG13     VAL  19   1.515  11.972   3.769
  134   1HG2  VAL  19           HG23     VAL  19   2.280   8.895   3.607
  135   2HG2  VAL  19           HG21     VAL  19   1.903   8.632   5.316
  136   3HG2  VAL  19           HG22     VAL  19   0.878   9.677   4.324
  137    H    CYS  20           HN       CYS  20   5.249   7.906   4.820
  138    HA   CYS  20           HA       CYS  20   3.859   6.798   6.984
  139   1HB   CYS  20           HB2      CYS  20   4.315   5.590   5.023
  140   2HB   CYS  20           HB3      CYS  20   6.057   5.698   5.313
  141    HA   PRO  21           HA       PRO  21   6.624   7.843  10.387
  142   1HB   PRO  21           HB2      PRO  21   5.056   5.540  11.578
  143   2HB   PRO  21           HB3      PRO  21   5.544   7.072  12.361
  144   1HG   PRO  21           HG2      PRO  21   3.019   6.800  11.420
  145   2HG   PRO  21           HG3      PRO  21   3.927   8.303  11.059
  146   1HD   PRO  21           HD2      PRO  21   3.521   5.895   9.282
  147   2HD   PRO  21           HD3      PRO  21   3.357   7.636   8.906
  148    H    VAL  22           HN       VAL  22   6.264   4.615   8.980
  149    HA   VAL  22           HA       VAL  22   8.908   3.802  10.121
  150    HB   VAL  22           HB       VAL  22   8.106   1.475   9.967
  151   1HG1  VAL  22           HG12     VAL  22   8.043   2.736  12.086
  152   2HG1  VAL  22           HG13     VAL  22   6.373   3.234  11.745
  153   3HG1  VAL  22           HG11     VAL  22   6.761   1.519  11.984
  154   1HG2  VAL  22           HG22     VAL  22   6.252   1.752   8.289
  155   2HG2  VAL  22           HG23     VAL  22   5.696   0.968   9.768
  156   3HG2  VAL  22           HG21     VAL  22   5.343   2.677   9.501
  157    H    ASP  23           HN       ASP  23   8.131   5.316   7.593
  158    HA   ASP  23           HA       ASP  23   9.188   5.639   5.688
  159   1HB   ASP  23           HB2      ASP  23  11.044   3.405   6.605
  160   2HB   ASP  23           HB3      ASP  23  11.353   4.543   5.296
  161    H    CYS  24           HN       CYS  24   8.306   2.290   6.097
  162    HA   CYS  24           HA       CYS  24   9.461   1.386   3.731
  163   1HB   CYS  24           HB2      CYS  24   8.000   0.276   6.063
  164   2HB   CYS  24           HB3      CYS  24   7.896  -0.732   4.632
  165    HG   CYS  24           HSG      CYS  24  10.306  -1.004   4.099
  166    H    ILE  25           HN       ILE  25   7.897   3.224   2.617
  167    HA   ILE  25           HA       ILE  25   6.025   1.636   0.917
  168    HB   ILE  25           HB       ILE  25   6.618   4.611   1.060
  169   1HG1  ILE  25           HG12     ILE  25   4.148   4.798   1.190
  170   2HG1  ILE  25           HG13     ILE  25   3.996   3.043   1.157
  171   1HG2  ILE  25           HG23     ILE  25   5.159   3.023  -1.102
  172   2HG2  ILE  25           HG21     ILE  25   5.050   4.780  -0.926
  173   3HG2  ILE  25           HG22     ILE  25   6.602   4.044  -1.315
  174   1HD1  ILE  25           HD1      ILE  25   5.488   4.603   3.286
  175   2HD1  ILE  25           HD2      ILE  25   3.768   4.134   3.406
  176   3HD1  ILE  25           HD3      ILE  25   5.015   2.885   3.379
  177    H    HIS  26           HN       HIS  26   6.942   0.768  -0.935
  178    HA   HIS  26           HA       HIS  26   9.624   1.697  -1.836
  179   1HB   HIS  26           HB2      HIS  26   8.527  -1.067  -1.292
  180   2HB   HIS  26           HB3      HIS  26  10.036  -0.751  -2.131
  181    HD1  HIS  26           HND      HIS  26  11.643   1.064  -0.309
  182    HD2  HIS  26           HD       HIS  26   8.842  -1.703   1.184
  183    HE1  HIS  26           HE       HIS  26  12.237   0.675   2.142
  184    H    GLU  27           HN       GLU  27   9.929   0.983  -4.197
  185    HA   GLU  27           HA       GLU  27   7.379   1.421  -5.474
  186   1HB   GLU  27           HB2      GLU  27   9.982   0.877  -6.926
  187   2HB   GLU  27           HB3      GLU  27   8.472   1.634  -7.465
  188   1HG   GLU  27           HG2      GLU  27   9.023   3.233  -5.363
  189   2HG   GLU  27           HG3      GLU  27  10.675   2.808  -5.830
  190    H    GLY  28           HN       GLY  28   6.614   0.187  -7.323
  191   1HA   GLY  28           HA2      GLY  28   7.219  -2.753  -7.290
  192   2HA   GLY  28           HA3      GLY  28   5.615  -2.063  -7.670
  193    H    GLU  29           HN       GLU  29   6.432  -3.531  -9.647
  194    HA   GLU  29           HA       GLU  29   8.316  -2.799 -11.486
  195   1HB   GLU  29           HB2      GLU  29   5.451  -3.802 -11.979
  196   2HB   GLU  29           HB3      GLU  29   6.809  -3.875 -13.082
  197   1HG   GLU  29           HG2      GLU  29   7.006  -5.979 -12.223
  198   2HG   GLU  29           HG3      GLU  29   7.929  -5.171 -10.952
  199    H    ASP  30           HN       ASP  30   4.903  -1.856 -11.602
  200    HA   ASP  30           HA       ASP  30   5.481   0.652 -13.114
  201   1HB   ASP  30           HB2      ASP  30   3.560  -0.514 -13.930
  202   2HB   ASP  30           HB3      ASP  30   2.941  -0.828 -12.301
  203    H    GLN  31           HN       GLN  31   3.735  -0.450 -10.271
  204    HA   GLN  31           HA       GLN  31   3.217   2.246  -9.476
  205   1HB   GLN  31           HB2      GLN  31   1.483   1.226  -8.186
  206   2HB   GLN  31           HB3      GLN  31   1.578   0.402  -9.721
  207   1HG   GLN  31           HG2      GLN  31   3.136  -0.876  -7.475
  208   2HG   GLN  31           HG3      GLN  31   1.373  -0.868  -7.405
  209   1HE2  GLN  31           HNE2     GLN  31   1.219  -3.688  -9.469
  210   2HE2  GLN  31           HNE1     GLN  31   0.585  -2.774  -8.112
  211    H    TYR  32           HN       TYR  32   2.653   1.350  -6.647
  212    HA   TYR  32           HA       TYR  32   5.343   1.102  -5.500
  213   1HB   TYR  32           HB2      TYR  32   3.097   2.914  -4.517
  214   2HB   TYR  32           HB3      TYR  32   4.456   2.323  -3.562
  215    HD1  TYR  32           HD2      TYR  32   3.545   4.570  -6.389
  216    HD2  TYR  32           HD1      TYR  32   6.624   3.309  -3.649
  217    HE1  TYR  32           HE2      TYR  32   4.990   6.462  -7.116
  218    HE2  TYR  32           HE1      TYR  32   8.066   5.171  -4.412
  219    HH   TYR  32           HOH      TYR  32   8.405   6.308  -6.539
  220    H    TYR  33           HN       TYR  33   5.283   0.199  -3.408
  221    HA   TYR  33           HA       TYR  33   2.933  -1.403  -2.552
  222   1HB   TYR  33           HB2      TYR  33   5.831  -2.347  -2.737
  223   2HB   TYR  33           HB3      TYR  33   4.549  -3.282  -2.037
  224    HD1  TYR  33           HD1      TYR  33   2.365  -2.733  -4.061
  225    HD2  TYR  33           HD2      TYR  33   6.504  -3.714  -4.598
  226    HE1  TYR  33           HE1      TYR  33   1.853  -3.539  -6.285
  227    HE2  TYR  33           HE2      TYR  33   5.961  -4.643  -6.824
  228    HH   TYR  33           HOH      TYR  33   4.402  -4.679  -8.469
  229    H    ILE  34           HN       ILE  34   3.582  -2.326  -0.353
  230    HA   ILE  34           HA       ILE  34   5.096  -0.388   1.323
  231    HB   ILE  34           HB       ILE  34   2.268  -1.465   1.652
  232   1HG1  ILE  34           HG12     ILE  34   2.855   1.399   2.213
  233   2HG1  ILE  34           HG13     ILE  34   3.099   0.946   0.531
  234   1HG2  ILE  34           HG21     ILE  34   3.958  -0.110   3.786
  235   2HG2  ILE  34           HG22     ILE  34   2.192  -0.307   3.871
  236   3HG2  ILE  34           HG23     ILE  34   3.219  -1.728   3.843
  237   1HD1  ILE  34           HD2      ILE  34   0.550  -0.139   1.474
  238   2HD1  ILE  34           HD3      ILE  34   0.672   1.596   1.768
  239   3HD1  ILE  34           HD1      ILE  34   0.909   0.959   0.129
  240    H    ASP  35           HN       ASP  35   6.317  -1.586   2.963
  241    HA   ASP  35           HA       ASP  35   6.102  -4.482   2.877
  242   1HB   ASP  35           HB2      ASP  35   8.269  -3.511   3.452
  243   2HB   ASP  35           HB3      ASP  35   7.560  -2.836   4.931
  244    HA   PRO  36           HA       PRO  36   2.540  -3.860   5.371
  245   1HB   PRO  36           HB2      PRO  36   1.404  -6.363   5.401
  246   2HB   PRO  36           HB3      PRO  36   1.511  -5.384   3.905
  247   1HG   PRO  36           HG2      PRO  36   3.371  -7.557   4.852
  248   2HG   PRO  36           HG3      PRO  36   2.621  -7.396   3.231
  249   1HD   PRO  36           HD2      PRO  36   5.176  -6.526   3.821
  250   2HD   PRO  36           HD3      PRO  36   4.139  -5.718   2.616
  251    H    ASP  37           HN       ASP  37   5.172  -6.174   6.191
  252    HA   ASP  37           HA       ASP  37   4.025  -7.012   8.704
  253   1HB   ASP  37           HB2      ASP  37   6.378  -7.525   7.041
  254   2HB   ASP  37           HB3      ASP  37   6.340  -8.046   8.687
  255    H    VAL  38           HN       VAL  38   6.203  -4.598   7.342
  256    HA   VAL  38           HA       VAL  38   7.107  -3.583   9.927
  257    HB   VAL  38           HB       VAL  38   7.123  -2.499   7.096
  258   1HG1  VAL  38           HG12     VAL  38   8.039  -1.159   9.658
  259   2HG1  VAL  38           HG13     VAL  38   8.676  -0.722   8.062
  260   3HG1  VAL  38           HG11     VAL  38   6.944  -0.545   8.387
  261   1HG2  VAL  38           HG21     VAL  38   8.706  -4.353   7.603
  262   2HG2  VAL  38           HG22     VAL  38   9.567  -2.835   7.329
  263   3HG2  VAL  38           HG23     VAL  38   9.337  -3.434   8.983
  264    H    CYS  39           HN       CYS  39   4.459  -2.731   7.643
  265    HA   CYS  39           HA       CYS  39   3.756  -0.288   8.765
  266   1HB   CYS  39           HB2      CYS  39   2.839  -1.220   6.647
  267   2HB   CYS  39           HB3      CYS  39   2.019  -2.356   7.606
  268    H    ILE  40           HN       ILE  40   3.544  -0.026  10.899
  269    HA   ILE  40           HA       ILE  40   2.444  -1.776  12.784
  270    HB   ILE  40           HB       ILE  40   2.739   0.085  14.328
  271   1HG1  ILE  40           HG12     ILE  40   4.110   2.052  12.893
  272   2HG1  ILE  40           HG13     ILE  40   2.660   1.777  11.926
  273   1HG2  ILE  40           HG23     ILE  40   4.624  -1.383  13.623
  274   2HG2  ILE  40           HG21     ILE  40   5.078  -0.172  12.409
  275   3HG2  ILE  40           HG22     ILE  40   5.138   0.234  14.132
  276   1HD1  ILE  40           HD3      ILE  40   2.684   2.325  14.934
  277   2HD1  ILE  40           HD1      ILE  40   2.394   3.541  13.680
  278   3HD1  ILE  40           HD2      ILE  40   1.245   2.206  13.893
  279    H    ASP  41           HN       ASP  41   0.387  -0.895  10.682
  280    HA   ASP  41           HA       ASP  41  -1.799  -0.264  10.528
  281   1HB   ASP  41           HB2      ASP  41  -1.865  -1.605  13.272
  282   2HB   ASP  41           HB3      ASP  41  -3.311  -1.057  12.406
  283    H    CYS  42           HN       CYS  42  -0.276   1.749  10.888
  284    HA   CYS  42           HA       CYS  42  -1.529   3.600  12.802
  285   1HB   CYS  42           HB2      CYS  42   0.156   4.928  12.431
  286   2HB   CYS  42           HB3      CYS  42   0.986   3.504  11.815
  287    H    GLY  43           HN       GLY  43  -2.214   5.775  11.582
  288   1HA   GLY  43           HA2      GLY  43  -3.621   5.210   9.040
  289   2HA   GLY  43           HA3      GLY  43  -4.505   6.026  10.344
  290    H    ALA  44           HN       ALA  44  -3.205   6.804   7.620
  291    HA   ALA  44           HA       ALA  44  -2.745   9.488   7.928
  292   1HB   ALA  44           HB3      ALA  44  -0.100   7.951   8.064
  293   2HB   ALA  44           HB1      ALA  44  -0.239   9.656   7.593
  294   3HB   ALA  44           HB2      ALA  44  -0.700   9.157   9.221
  295    H    CYS  45           HN       CYS  45  -0.992   6.794   6.339
  296    HA   CYS  45           HA       CYS  45  -0.737   8.029   3.834
  297   1HB   CYS  45           HB2      CYS  45  -0.043   5.881   3.041
  298   2HB   CYS  45           HB3      CYS  45   0.699   6.299   4.571
  299    H    GLU  46           HN       GLU  46  -3.375   5.887   5.052
  300    HA   GLU  46           HA       GLU  46  -4.560   5.558   2.436
  301   1HB   GLU  46           HB2      GLU  46  -6.560   5.253   4.466
  302   2HB   GLU  46           HB3      GLU  46  -5.791   4.046   3.445
  303   1HG   GLU  46           HG2      GLU  46  -5.541   3.310   5.616
  304   2HG   GLU  46           HG3      GLU  46  -3.931   3.889   5.223
  305    H    ALA  47           HN       ALA  47  -4.853   7.911   5.056
  306    HA   ALA  47           HA       ALA  47  -7.243   9.176   4.139
  307   1HB   ALA  47           HB3      ALA  47  -6.273   9.556   6.384
  308   2HB   ALA  47           HB1      ALA  47  -4.933  10.464   5.647
  309   3HB   ALA  47           HB2      ALA  47  -6.591  11.070   5.513
  310    H    VAL  48           HN       VAL  48  -3.802   9.724   3.277
  311    HA   VAL  48           HA       VAL  48  -4.574  11.926   1.466
  312    HB   VAL  48           HB       VAL  48  -2.232  12.167   0.976
  313   1HG1  VAL  48           HG11     VAL  48  -3.242  13.319   2.914
  314   2HG1  VAL  48           HG12     VAL  48  -2.776  11.967   3.968
  315   3HG1  VAL  48           HG13     VAL  48  -1.529  12.953   3.182
  316   1HG2  VAL  48           HG21     VAL  48  -1.457   9.797   1.202
  317   2HG2  VAL  48           HG22     VAL  48  -0.489  10.936   2.146
  318   3HG2  VAL  48           HG23     VAL  48  -1.693   9.928   2.960
  319    H    CYS  49           HN       CYS  49  -3.673   8.476   1.177
  320    HA   CYS  49           HA       CYS  49  -3.153   8.418  -1.538
  321   1HB   CYS  49           HB2      CYS  49  -2.857   6.505   0.021
  322   2HB   CYS  49           HB3      CYS  49  -4.592   6.376   0.134
  323    HA   PRO  50           HA       PRO  50  -7.068   9.830  -3.082
  324   1HB   PRO  50           HB2      PRO  50  -6.946   8.985  -5.741
  325   2HB   PRO  50           HB3      PRO  50  -6.191  10.454  -5.062
  326   1HG   PRO  50           HG2      PRO  50  -4.918   7.766  -5.563
  327   2HG   PRO  50           HG3      PRO  50  -4.241   9.388  -5.889
  328   1HD   PRO  50           HD2      PRO  50  -3.558   7.943  -3.712
  329   2HD   PRO  50           HD3      PRO  50  -3.726   9.717  -3.591
  330    H    VAL  51           HN       VAL  51  -8.823   8.880  -2.354
  331    HA   VAL  51           HA       VAL  51 -10.490   7.487  -1.941
  332    HB   VAL  51           HB       VAL  51  -9.867   5.891  -4.455
  333   1HG1  VAL  51           HG13     VAL  51 -12.373   6.525  -2.845
  334   2HG1  VAL  51           HG11     VAL  51 -12.461   5.990  -4.530
  335   3HG1  VAL  51           HG12     VAL  51 -11.734   4.938  -3.323
  336   1HG2  VAL  51           HG23     VAL  51 -11.142   8.649  -4.248
  337   2HG2  VAL  51           HG21     VAL  51  -9.723   8.177  -5.212
  338   3HG2  VAL  51           HG22     VAL  51 -11.313   7.580  -5.657
  339    H    SER  52           HN       SER  52  -7.707   6.933  -1.021
  340    HA   SER  52           HA       SER  52  -6.534   5.390   0.128
  341   1HB   SER  52           HB2      SER  52  -9.255   4.263   0.817
  342   2HB   SER  52           HB3      SER  52  -7.763   4.171   1.769
  343    HG   SER  52           HOG      SER  52  -7.853   6.552   1.780
  344    H    ALA  53           HN       ALA  53  -6.154   4.687  -2.351
  345    HA   ALA  53           HA       ALA  53  -6.967   2.051  -3.118
  346   1HB   ALA  53           HB3      ALA  53  -5.746   3.647  -4.618
  347   2HB   ALA  53           HB1      ALA  53  -4.272   3.374  -3.663
  348   3HB   ALA  53           HB2      ALA  53  -5.003   2.033  -4.552
  349    H    ILE  54           HN       ILE  54  -4.573   3.264  -0.834
  350    HA   ILE  54           HA       ILE  54  -3.538   0.703   0.005
  351    HB   ILE  54           HB       ILE  54  -3.752   3.434   1.326
  352   1HG1  ILE  54           HG12     ILE  54  -1.369   2.009   0.043
  353   2HG1  ILE  54           HG13     ILE  54  -2.321   3.284  -0.713
  354   1HG2  ILE  54           HG22     ILE  54  -2.241   0.951   2.236
  355   2HG2  ILE  54           HG23     ILE  54  -2.074   2.577   2.940
  356   3HG2  ILE  54           HG21     ILE  54  -3.624   1.748   3.039
  357   1HD1  ILE  54           HD2      ILE  54  -1.747   4.718   1.386
  358   2HD1  ILE  54           HD3      ILE  54  -0.432   3.551   1.619
  359   3HD1  ILE  54           HD1      ILE  54  -0.528   4.483   0.122
  360    H    TYR  55           HN       TYR  55  -4.899  -0.851   0.774
  361    HA   TYR  55           HA       TYR  55  -7.091  -0.122   2.639
  362   1HB   TYR  55           HB2      TYR  55  -7.058  -2.092   0.404
  363   2HB   TYR  55           HB3      TYR  55  -8.264  -2.168   1.689
  364    HD1  TYR  55           HD1      TYR  55  -9.328   0.424   2.112
  365    HD2  TYR  55           HD2      TYR  55  -8.113  -1.427  -1.580
  366    HE1  TYR  55           HE1      TYR  55 -10.786   1.977   0.847
  367    HE2  TYR  55           HE2      TYR  55  -9.548   0.142  -2.844
  368    HH   TYR  55           HOH      TYR  55 -10.514   3.036  -1.665
  369    H    HIS  56           HN       HIS  56  -7.619  -1.768   4.192
  370    HA   HIS  56           HA       HIS  56  -5.172  -2.873   5.292
  371   1HB   HIS  56           HB2      HIS  56  -6.969  -1.752   6.612
  372   2HB   HIS  56           HB3      HIS  56  -8.095  -3.021   6.136
  373    HD1  HIS  56           HND      HIS  56  -8.208  -5.076   7.691
  374    HD2  HIS  56           HD       HIS  56  -4.845  -2.616   8.274
  375    HE1  HIS  56           HE       HIS  56  -6.947  -6.030   9.697
  376    H    GLU  57           HN       GLU  57  -4.596  -5.105   5.541
  377    HA   GLU  57           HA       GLU  57  -4.947  -6.826   3.512
  378   1HB   GLU  57           HB2      GLU  57  -4.632  -7.393   6.491
  379   2HB   GLU  57           HB3      GLU  57  -4.453  -8.596   5.207
  380   1HG   GLU  57           HG2      GLU  57  -2.690  -7.066   4.233
  381   2HG   GLU  57           HG3      GLU  57  -2.755  -6.221   5.808
  382    H    ASP  58           HN       ASP  58  -7.084  -6.608   6.308
  383    HA   ASP  58           HA       ASP  58  -8.465  -9.088   5.837
  384   1HB   ASP  58           HB2      ASP  58  -8.406  -8.022   8.052
  385   2HB   ASP  58           HB3      ASP  58  -9.306  -6.621   7.428
  386    H    PHE  59           HN       PHE  59  -9.250  -5.644   5.248
  387    HA   PHE  59           HA       PHE  59 -11.777  -5.894   4.058
  388   1HB   PHE  59           HB2      PHE  59  -9.586  -3.785   3.927
  389   2HB   PHE  59           HB3      PHE  59 -11.251  -3.582   3.483
  390    HD1  PHE  59           HD2      PHE  59 -11.595  -5.470   6.425
  391    HD2  PHE  59           HD1      PHE  59 -10.410  -1.536   5.061
  392    HE1  PHE  59           HE2      PHE  59 -11.838  -4.608   8.695
  393    HE2  PHE  59           HE1      PHE  59 -10.723  -0.665   7.357
  394    HZ   PHE  59           HZ       PHE  59 -11.411  -2.199   9.189
  395    H    VAL  60           HN       VAL  60  -8.440  -5.896   2.941
  396    HA   VAL  60           HA       VAL  60  -8.810  -5.385   0.192
  397    HB   VAL  60           HB       VAL  60  -6.722  -6.733   1.846
  398   1HG1  VAL  60           HG13     VAL  60  -7.020  -8.073  -0.510
  399   2HG1  VAL  60           HG11     VAL  60  -6.117  -6.662  -1.079
  400   3HG1  VAL  60           HG12     VAL  60  -5.481  -7.679   0.211
  401   1HG2  VAL  60           HG23     VAL  60  -7.007  -4.278   1.391
  402   2HG2  VAL  60           HG21     VAL  60  -5.450  -4.912   0.825
  403   3HG2  VAL  60           HG22     VAL  60  -6.788  -4.683  -0.333
  404    HA   PRO  61           HA       PRO  61 -11.439  -8.850  -0.740
  405   1HB   PRO  61           HB2      PRO  61 -11.203  -8.760  -3.556
  406   2HB   PRO  61           HB3      PRO  61 -12.378  -7.874  -2.566
  407   1HG   PRO  61           HG2      PRO  61  -9.867  -6.902  -3.847
  408   2HG   PRO  61           HG3      PRO  61 -11.335  -5.977  -3.437
  409   1HD   PRO  61           HD2      PRO  61  -8.918  -5.923  -1.997
  410   2HD   PRO  61           HD3      PRO  61 -10.519  -5.454  -1.338
  411    H    GLU  62           HN       GLU  62 -11.124 -11.124  -1.263
  412    HA   GLU  62           HA       GLU  62  -8.777 -12.337  -0.979
  413   1HB   GLU  62           HB2      GLU  62 -11.461 -12.862  -2.276
  414   2HB   GLU  62           HB3      GLU  62 -10.188 -14.020  -2.417
  415   1HG   GLU  62           HG2      GLU  62 -11.657 -14.439  -0.413
  416   2HG   GLU  62           HG3      GLU  62  -9.964 -14.182   0.038
  417    H    GLU  63           HN       GLU  63 -10.210 -11.325  -4.047
  418    HA   GLU  63           HA       GLU  63  -8.389 -12.194  -5.944
  419   1HB   GLU  63           HB2      GLU  63 -10.459 -10.920  -6.330
  420   2HB   GLU  63           HB3      GLU  63  -9.643  -9.430  -5.813
  421   1HG   GLU  63           HG2      GLU  63  -8.042  -9.709  -7.711
  422   2HG   GLU  63           HG3      GLU  63  -8.868 -11.204  -8.176
  423    H    TRP  64           HN       TRP  64  -8.072  -9.347  -3.794
  424    HA   TRP  64           HA       TRP  64  -5.302  -8.827  -4.732
  425   1HB   TRP  64           HB2      TRP  64  -7.296  -6.991  -3.391
  426   2HB   TRP  64           HB3      TRP  64  -5.678  -6.547  -3.892
  427    HD1  TRP  64           HD       TRP  64  -6.034  -8.386  -6.700
  428    HE1  TRP  64           HNE      TRP  64  -7.380  -7.492  -8.634
  429    HE3  TRP  64           HE       TRP  64  -8.524  -4.582  -4.292
  430    HZ2  TRP  64           HZ1      TRP  64  -9.346  -5.497  -9.117
  431    HZ3  TRP  64           HZ2      TRP  64  -9.949  -3.052  -5.646
  432    HH2  TRP  64           HH       TRP  64 -10.440  -3.568  -8.022
  433    H    LYS  65           HN       LYS  65  -6.761 -10.370  -2.162
  434    HA   LYS  65           HA       LYS  65  -4.707 -10.029  -0.185
  435   1HB   LYS  65           HB2      LYS  65  -6.253 -12.512  -0.941
  436   2HB   LYS  65           HB3      LYS  65  -5.065 -12.377   0.365
  437   1HG   LYS  65           HG2      LYS  65  -6.300 -10.310   1.164
  438   2HG   LYS  65           HG3      LYS  65  -7.605 -10.695   0.060
  439   1HD   LYS  65           HD2      LYS  65  -8.160 -12.715   1.304
  440   2HD   LYS  65           HD3      LYS  65  -6.574 -12.719   2.087
  441   1HE   LYS  65           HE2      LYS  65  -8.016 -11.899   3.763
  442   2HE   LYS  65           HE3      LYS  65  -7.084 -10.534   3.113
  443   1HZ   LYS  65           HNZ2     LYS  65  -9.078  -9.932   1.833
  444   2HZ   LYS  65           HNZ3     LYS  65  -9.890 -11.236   2.397
  445   3HZ   LYS  65           HNZ1     LYS  65  -9.485  -9.967   3.395
  446    H    SER  66           HN       SER  66  -4.720 -11.579  -3.414
  447    HA   SER  66           HA       SER  66  -2.177 -12.690  -3.541
  448   1HB   SER  66           HB2      SER  66  -3.483 -11.017  -5.726
  449   2HB   SER  66           HB3      SER  66  -2.360 -12.377  -5.906
  450    HG   SER  66           HOG      SER  66  -5.062 -12.368  -5.520
  451    H    TYR  67           HN       TYR  67  -3.066  -9.181  -3.943
  452    HA   TYR  67           HA       TYR  67  -0.341  -8.377  -4.602
  453   1HB   TYR  67           HB2      TYR  67  -2.857  -6.892  -3.678
  454   2HB   TYR  67           HB3      TYR  67  -1.299  -6.116  -3.641
  455    HD1  TYR  67           HD1      TYR  67   0.094  -6.128  -5.886
  456    HD2  TYR  67           HD2      TYR  67  -4.157  -6.758  -5.651
  457    HE1  TYR  67           HE1      TYR  67  -0.155  -5.407  -8.252
  458    HE2  TYR  67           HE2      TYR  67  -4.405  -6.017  -7.999
  459    HH   TYR  67           HOH      TYR  67  -3.345  -5.058  -9.823
  460    H    ILE  68           HN       ILE  68  -2.325  -8.562  -1.556
  461    HA   ILE  68           HA       ILE  68  -0.393  -7.285  -0.029
  462    HB   ILE  68           HB       ILE  68  -2.631  -9.271   0.437
  463   1HG1  ILE  68           HG12     ILE  68  -3.751  -7.515   1.411
  464   2HG1  ILE  68           HG13     ILE  68  -2.289  -6.632   1.789
  465   1HG2  ILE  68           HG22     ILE  68  -0.806  -8.317   2.660
  466   2HG2  ILE  68           HG23     ILE  68  -2.409  -9.068   2.863
  467   3HG2  ILE  68           HG21     ILE  68  -1.096  -9.999   2.144
  468   1HD1  ILE  68           HD2      ILE  68  -2.046  -5.977  -0.624
  469   2HD1  ILE  68           HD3      ILE  68  -3.535  -6.863  -0.978
  470   3HD1  ILE  68           HD1      ILE  68  -3.559  -5.455   0.063
  471    H    GLN  69           HN       GLN  69  -0.802 -10.790  -0.741
  472    HA   GLN  69           HA       GLN  69   1.558 -11.679   0.556
  473   1HB   GLN  69           HB2      GLN  69  -0.145 -12.637  -1.753
  474   2HB   GLN  69           HB3      GLN  69   1.342 -13.474  -1.320
  475   1HG   GLN  69           HG2      GLN  69   0.577 -13.996   0.855
  476   2HG   GLN  69           HG3      GLN  69  -0.736 -12.807   0.786
  477   1HE2  GLN  69           HNE2     GLN  69  -2.928 -14.817  -1.204
  478   2HE2  GLN  69           HNE1     GLN  69  -2.407 -13.152  -0.927
  479    H    LYS  70           HN       LYS  70   1.088 -10.307  -2.758
  480    HA   LYS  70           HA       LYS  70   3.758 -10.614  -3.574
  481   1HB   LYS  70           HB2      LYS  70   1.672  -9.798  -4.940
  482   2HB   LYS  70           HB3      LYS  70   2.037  -8.212  -4.283
  483   1HG   LYS  70           HG2      LYS  70   4.298  -8.239  -5.253
  484   2HG   LYS  70           HG3      LYS  70   3.970  -9.818  -5.986
  485   1HD   LYS  70           HD2      LYS  70   1.985  -8.773  -7.170
  486   2HD   LYS  70           HD3      LYS  70   2.469  -7.204  -6.483
  487   1HE   LYS  70           HE2      LYS  70   4.726  -7.484  -7.600
  488   2HE   LYS  70           HE3      LYS  70   4.116  -8.952  -8.385
  489   1HZ   LYS  70           HNZ2     LYS  70   2.431  -7.515  -9.446
  490   2HZ   LYS  70           HNZ3     LYS  70   3.141  -6.196  -8.713
  491   3HZ   LYS  70           HNZ1     LYS  70   3.983  -7.079  -9.791
  492    H    ASN  71           HN       ASN  71   2.316  -7.713  -1.960
  493    HA   ASN  71           HA       ASN  71   4.675  -6.212  -1.704
  494   1HB   ASN  71           HB2      ASN  71   2.153  -6.540  -0.009
  495   2HB   ASN  71           HB3      ASN  71   3.425  -5.435   0.458
  496   1HD2  ASN  71           HND2     ASN  71   1.451  -4.509  -3.044
  497   2HD2  ASN  71           HND1     ASN  71   1.597  -6.195  -2.604
  498    H    ARG  72           HN       ARG  72   3.330  -8.758   0.425
  499    HA   ARG  72           HA       ARG  72   5.465  -8.750   2.294
  500   1HB   ARG  72           HB2      ARG  72   3.158 -10.326   1.769
  501   2HB   ARG  72           HB3      ARG  72   4.505 -11.461   1.742
  502   1HG   ARG  72           HG2      ARG  72   5.191 -10.825   3.986
  503   2HG   ARG  72           HG3      ARG  72   4.158  -9.405   3.933
  504   1HD   ARG  72           HD2      ARG  72   2.277 -11.344   3.544
  505   2HD   ARG  72           HD3      ARG  72   3.429 -12.206   4.572
  506    HE   ARG  72           HNE      ARG  72   3.321 -10.168   6.125
  507   1HH1  ARG  72           HN22     ARG  72   0.426 -11.132   4.267
  508   2HH1  ARG  72           HN21     ARG  72  -0.608 -10.059   5.173
  509   1HH2  ARG  72           HN12     ARG  72   2.050  -8.843   7.184
  510   2HH2  ARG  72           HN11     ARG  72   0.310  -8.649   6.835
  511    H    ASP  73           HN       ASP  73   5.117 -10.573  -0.793
  512    HA   ASP  73           HA       ASP  73   7.421 -12.119  -0.499
  513   1HB   ASP  73           HB2      ASP  73   5.411 -12.045  -2.306
  514   2HB   ASP  73           HB3      ASP  73   6.661 -11.283  -3.266
  515    H    PHE  74           HN       PHE  74   6.901  -9.019  -1.980
  516    HA   PHE  74           HA       PHE  74   9.291  -8.520  -3.281
  517   1HB   PHE  74           HB2      PHE  74   7.073  -6.914  -2.223
  518   2HB   PHE  74           HB3      PHE  74   8.586  -6.068  -2.078
  519    HD1  PHE  74           HD2      PHE  74   6.922  -8.311  -4.605
  520    HD2  PHE  74           HD1      PHE  74   9.183  -4.703  -3.912
  521    HE1  PHE  74           HE2      PHE  74   7.029  -7.893  -7.056
  522    HE2  PHE  74           HE1      PHE  74   9.176  -4.230  -6.335
  523    HZ   PHE  74           HZ       PHE  74   8.029  -5.788  -7.907
  524    H    PHE  75           HN       PHE  75   8.665  -8.108   0.219
  525    HA   PHE  75           HA       PHE  75  11.564  -7.505   0.610
  526   1HB   PHE  75           HB2      PHE  75   9.288  -7.088   2.552
  527   2HB   PHE  75           HB3      PHE  75  10.876  -6.364   2.580
  528    HD1  PHE  75           HD1      PHE  75  11.473  -4.974   0.288
  529    HD2  PHE  75           HD2      PHE  75   7.516  -5.839   1.730
  530    HE1  PHE  75           HE1      PHE  75  10.521  -3.417  -1.392
  531    HE2  PHE  75           HE2      PHE  75   6.556  -4.277   0.069
  532    HZ   PHE  75           HZ       PHE  75   8.044  -3.159  -1.576
  533    H    LYS  76           HN       LYS  76  10.048 -10.237   0.417
  534    HA   LYS  76           HA       LYS  76  10.926 -11.374   3.048
  535   1HB   LYS  76           HB2      LYS  76   8.539 -11.414   2.651
  536   2HB   LYS  76           HB3      LYS  76   8.800 -12.236   1.101
  537   1HG   LYS  76           HG2      LYS  76   9.669 -14.229   2.331
  538   2HG   LYS  76           HG3      LYS  76   9.513 -13.335   3.842
  539   1HD   LYS  76           HD2      LYS  76   7.596 -14.858   3.534
  540   2HD   LYS  76           HD3      LYS  76   7.108 -13.164   3.634
  541   1HE   LYS  76           HE2      LYS  76   5.890 -14.555   1.886
  542   2HE   LYS  76           HE3      LYS  76   6.558 -13.021   1.351
  543   1HZ   LYS  76           HNZ3     LYS  76   8.420 -14.237   0.402
  544   2HZ   LYS  76           HNZ1     LYS  76   7.755 -15.680   0.846
  545   3HZ   LYS  76           HNZ2     LYS  76   7.026 -14.691  -0.259
  546    H    LYS  77           HN       LYS  77  10.648 -12.266  -0.462
  547    HA   LYS  77           HA       LYS  77  12.712 -14.325  -0.088
  548   1HB   LYS  77           HB2      LYS  77  12.348 -14.809  -2.398
  549   2HB   LYS  77           HB3      LYS  77  10.858 -14.874  -1.477
  550   1HG   LYS  77           HG2      LYS  77  10.350 -14.027  -3.589
  551   2HG   LYS  77           HG3      LYS  77  10.165 -12.695  -2.501
  552   1HD   LYS  77           HD2      LYS  77  12.900 -12.749  -3.647
  553   2HD   LYS  77           HD3      LYS  77  11.705 -12.934  -4.908
  554   1HE   LYS  77           HE2      LYS  77  12.306 -10.580  -4.614
  555   2HE   LYS  77           HE3      LYS  77  10.582 -10.854  -4.296
  556   1HZ   LYS  77           HNZ1     LYS  77  12.620 -10.690  -2.154
  557   2HZ   LYS  77           HNZ2     LYS  77  11.715  -9.398  -2.618
  558   3HZ   LYS  77           HNZ3     LYS  77  11.000 -10.716  -1.986
   
  No H/Q in entry =         557
  Start of MODEL    8
    1   1H    ALA   1           HN1      ALA   1  -3.054  -4.602   8.886
    2   2H    ALA   1           HN2      ALA   1  -2.555  -3.492   9.973
    3   2H    ALA   1           HN3      ALA   1  -2.555  -3.492   9.973
    4    HA   ALA   1           HA       ALA   1  -0.583  -4.589   8.191
    5   1HB   ALA   1           HB2      ALA   1   0.202  -3.139   9.917
    6   2HB   ALA   1           HB3      ALA   1   0.541  -2.670   8.238
    7   3HB   ALA   1           HB1      ALA   1  -0.704  -1.792   9.171
    8    H    TYR   2           HN       TYR   2  -0.804  -1.554   7.058
    9    HA   TYR   2           HA       TYR   2  -3.215  -1.878   5.364
   10   1HB   TYR   2           HB2      TYR   2  -1.340   0.427   5.949
   11   2HB   TYR   2           HB3      TYR   2  -2.543   0.459   4.669
   12    HD1  TYR   2           HD2      TYR   2  -5.000  -0.038   5.246
   13    HD2  TYR   2           HD1      TYR   2  -2.037   1.041   8.177
   14    HE1  TYR   2           HE2      TYR   2  -6.770   0.927   6.683
   15    HE2  TYR   2           HE1      TYR   2  -3.813   2.075   9.580
   16    HH   TYR   2           HOH      TYR   2  -6.242   3.302   8.458
   17    H    VAL   3           HN       VAL   3  -3.118  -2.161   3.156
   18    HA   VAL   3           HA       VAL   3  -0.423  -2.548   1.934
   19    HB   VAL   3           HB       VAL   3  -2.543  -4.624   1.530
   20   1HG1  VAL   3           HG13     VAL   3   0.513  -4.595   1.741
   21   2HG1  VAL   3           HG11     VAL   3  -0.438  -6.064   1.555
   22   3HG1  VAL   3           HG12     VAL   3  -0.463  -4.842   0.273
   23   1HG2  VAL   3           HG23     VAL   3  -0.870  -4.524   4.042
   24   2HG2  VAL   3           HG21     VAL   3  -2.649  -4.595   3.926
   25   3HG2  VAL   3           HG22     VAL   3  -1.660  -5.978   3.450
   26    H    ILE   4           HN       ILE   4  -0.449  -2.850  -0.348
   27    HA   ILE   4           HA       ILE   4  -2.098  -0.863  -1.557
   28    HB   ILE   4           HB       ILE   4   0.391  -1.902  -2.078
   29   1HG1  ILE   4           HG12     ILE   4   0.243  -1.044  -4.437
   30   2HG1  ILE   4           HG13     ILE   4  -1.495  -0.898  -4.318
   31   1HG2  ILE   4           HG23     ILE   4  -0.509  -4.071  -2.593
   32   2HG2  ILE   4           HG21     ILE   4  -1.176  -3.433  -4.115
   33   3HG2  ILE   4           HG22     ILE   4   0.569  -3.328  -3.827
   34   1HD1  ILE   4           HD2      ILE   4   0.459   0.589  -2.500
   35   2HD1  ILE   4           HD3      ILE   4  -0.222   1.249  -3.999
   36   3HD1  ILE   4           HD1      ILE   4  -1.291   0.879  -2.640
   37    H    THR   5           HN       THR   5  -3.386  -1.211  -3.541
   38    HA   THR   5           HA       THR   5  -4.136  -4.028  -4.102
   39    HB   THR   5           HB       THR   5  -6.349  -3.153  -4.961
   40    HG1  THR   5           HOG      THR   5  -5.808  -0.964  -3.215
   41   1HG2  THR   5           HG2      THR   5  -6.170  -4.442  -2.916
   42   2HG2  THR   5           HG3      THR   5  -5.928  -2.949  -1.968
   43   3HG2  THR   5           HG1      THR   5  -7.474  -3.254  -2.798
   44    H    GLU   6           HN       GLU   6  -5.284  -1.300  -5.810
   45    HA   GLU   6           HA       GLU   6  -3.864  -2.259  -8.243
   46   1HB   GLU   6           HB2      GLU   6  -5.393  -3.923  -7.700
   47   2HB   GLU   6           HB3      GLU   6  -6.668  -2.772  -7.474
   48   1HG   GLU   6           HG2      GLU   6  -7.292  -3.178  -9.578
   49   2HG   GLU   6           HG3      GLU   6  -5.842  -2.344 -10.151
   50    HA   PRO   7           HA       PRO   7  -6.688   1.405  -9.613
   51   1HB   PRO   7           HB2      PRO   7  -7.437   2.927  -7.215
   52   2HB   PRO   7           HB3      PRO   7  -8.441   2.341  -8.562
   53   1HG   PRO   7           HG2      PRO   7  -8.036   1.189  -5.897
   54   2HG   PRO   7           HG3      PRO   7  -9.223   0.697  -7.133
   55   1HD   PRO   7           HD2      PRO   7  -7.043  -0.800  -6.358
   56   2HD   PRO   7           HD3      PRO   7  -7.863  -0.952  -7.933
   57    H    CYS   8           HN       CYS   8  -4.357   1.565  -6.986
   58    HA   CYS   8           HA       CYS   8  -3.325   4.166  -7.251
   59   1HB   CYS   8           HB2      CYS   8  -2.561   2.556  -5.551
   60   2HB   CYS   8           HB3      CYS   8  -1.991   1.483  -6.832
   61    H    ILE   9           HN       ILE   9  -2.826   1.268  -9.254
   62    HA   ILE   9           HA       ILE   9  -0.336   1.345  -9.740
   63    HB   ILE   9           HB       ILE   9  -2.528   0.530 -11.564
   64   1HG1  ILE   9           HG12     ILE   9  -0.315  -1.102 -10.301
   65   2HG1  ILE   9           HG13     ILE   9  -1.682  -0.586  -9.316
   66   1HG2  ILE   9           HG23     ILE   9   0.450   0.131 -12.138
   67   2HG2  ILE   9           HG21     ILE   9  -0.857  -0.674 -13.010
   68   3HG2  ILE   9           HG22     ILE   9  -0.665   1.068 -13.155
   69   1HD1  ILE   9           HD1      ILE   9  -2.041  -2.170 -11.880
   70   2HD1  ILE   9           HD2      ILE   9  -1.776  -2.902 -10.283
   71   3HD1  ILE   9           HD3      ILE   9  -3.205  -1.892 -10.569
   72    H    GLY  10           HN       GLY  10   1.275   2.542 -10.416
   73   1HA   GLY  10           HA2      GLY  10   2.503   3.950 -11.703
   74   2HA   GLY  10           HA3      GLY  10   1.108   4.217 -12.748
   75    H    THR  11           HN       THR  11  -0.474   5.139 -10.193
   76    HA   THR  11           HA       THR  11   0.048   7.888 -10.889
   77    HB   THR  11           HB       THR  11  -2.001   6.899  -8.877
   78    HG1  THR  11           HOG      THR  11  -2.301   5.590 -10.586
   79   1HG2  THR  11           HG2      THR  11  -1.963   9.157 -10.942
   80   2HG2  THR  11           HG3      THR  11  -3.338   8.731  -9.903
   81   3HG2  THR  11           HG1      THR  11  -1.846   9.359  -9.182
   82    H    LYS  12           HN       LYS  12   2.331   7.479  -9.759
   83    HA   LYS  12           HA       LYS  12   2.641   7.476  -7.004
   84   1HB   LYS  12           HB2      LYS  12   4.457   7.409  -8.810
   85   2HB   LYS  12           HB3      LYS  12   4.402   9.169  -8.826
   86   1HG   LYS  12           HG2      LYS  12   4.621   8.144  -6.055
   87   2HG   LYS  12           HG3      LYS  12   5.825   7.411  -7.086
   88   1HD   LYS  12           HD2      LYS  12   6.861   9.298  -6.124
   89   2HD   LYS  12           HD3      LYS  12   6.620   9.630  -7.833
   90   1HE   LYS  12           HE2      LYS  12   6.193  11.627  -6.491
   91   2HE   LYS  12           HE3      LYS  12   4.696  11.120  -7.283
   92   1HZ   LYS  12           HNZ3     LYS  12   5.438  10.646  -4.443
   93   2HZ   LYS  12           HNZ1     LYS  12   4.332  11.714  -4.949
   94   3HZ   LYS  12           HNZ2     LYS  12   4.010  10.154  -5.193
   95    H    ASP  13           HN       ASP  13   1.757  10.197  -9.083
   96    HA   ASP  13           HA       ASP  13   2.242  12.471  -7.798
   97   1HB   ASP  13           HB2      ASP  13  -0.451  11.701  -9.003
   98   2HB   ASP  13           HB3      ASP  13   0.206  13.336  -8.840
   99    H    ALA  14           HN       ALA  14  -0.325  10.177  -6.827
  100    HA   ALA  14           HA       ALA  14  -1.656  11.838  -4.944
  101   1HB   ALA  14           HB1      ALA  14  -1.311   8.828  -5.074
  102   2HB   ALA  14           HB2      ALA  14  -2.442   9.685  -3.999
  103   3HB   ALA  14           HB3      ALA  14  -2.637   9.787  -5.762
  104    H    SER  15           HN       SER  15   1.281   9.894  -4.639
  105    HA   SER  15           HA       SER  15   3.031  10.053  -3.267
  106   1HB   SER  15           HB2      SER  15   1.805  12.722  -2.472
  107   2HB   SER  15           HB3      SER  15   3.457  12.220  -2.167
  108    HG   SER  15           HOG      SER  15   2.186  12.734  -4.635
  109    H    CYS  16           HN       CYS  16   1.785   8.194  -2.285
  110    HA   CYS  16           HA       CYS  16   1.559   8.479   0.640
  111   1HB   CYS  16           HB2      CYS  16   1.651   6.000   0.597
  112   2HB   CYS  16           HB3      CYS  16   0.252   6.717  -0.193
  113    H    VAL  17           HN       VAL  17   3.857   7.169  -1.763
  114    HA   VAL  17           HA       VAL  17   5.669   5.983  -0.219
  115    HB   VAL  17           HB       VAL  17   7.355   6.231  -1.848
  116   1HG1  VAL  17           HG11     VAL  17   4.887   5.164  -2.407
  117   2HG1  VAL  17           HG12     VAL  17   5.049   6.306  -3.734
  118   3HG1  VAL  17           HG13     VAL  17   6.295   5.073  -3.475
  119   1HG2  VAL  17           HG22     VAL  17   7.343   8.641  -2.308
  120   2HG2  VAL  17           HG23     VAL  17   7.177   7.718  -3.804
  121   3HG2  VAL  17           HG21     VAL  17   5.748   8.492  -3.094
  122    H    GLU  18           HN       GLU  18   5.677   9.505  -0.533
  123    HA   GLU  18           HA       GLU  18   8.156   9.958   0.740
  124   1HB   GLU  18           HB2      GLU  18   5.671  11.723   0.521
  125   2HB   GLU  18           HB3      GLU  18   7.290  12.252   0.986
  126   1HG   GLU  18           HG2      GLU  18   7.138  12.834  -1.274
  127   2HG   GLU  18           HG3      GLU  18   8.125  11.371  -1.271
  128    H    VAL  19           HN       VAL  19   5.038   9.136   2.206
  129    HA   VAL  19           HA       VAL  19   5.626  10.845   4.498
  130    HB   VAL  19           HB       VAL  19   3.427  10.725   5.091
  131   1HG1  VAL  19           HG12     VAL  19   3.931  12.010   3.014
  132   2HG1  VAL  19           HG13     VAL  19   3.409  10.621   2.041
  133   3HG1  VAL  19           HG11     VAL  19   2.251  11.444   3.093
  134   1HG2  VAL  19           HG21     VAL  19   3.130   8.136   4.720
  135   2HG2  VAL  19           HG22     VAL  19   1.764   9.237   4.560
  136   3HG2  VAL  19           HG23     VAL  19   2.560   8.622   3.119
  137    H    CYS  20           HN       CYS  20   5.994   7.418   4.012
  138    HA   CYS  20           HA       CYS  20   4.730   6.575   6.288
  139   1HB   CYS  20           HB2      CYS  20   5.357   5.165   4.379
  140   2HB   CYS  20           HB3      CYS  20   7.003   5.175   4.958
  141    HA   PRO  21           HA       PRO  21   7.370   7.746   9.820
  142   1HB   PRO  21           HB2      PRO  21   5.731   5.351  10.745
  143   2HB   PRO  21           HB3      PRO  21   6.249   6.735  11.737
  144   1HG   PRO  21           HG2      PRO  21   3.786   6.787  10.693
  145   2HG   PRO  21           HG3      PRO  21   4.814   8.229  10.429
  146   1HD   PRO  21           HD2      PRO  21   4.299   5.933   8.539
  147   2HD   PRO  21           HD3      PRO  21   4.270   7.692   8.195
  148    H    VAL  22           HN       VAL  22   7.058   4.455   8.487
  149    HA   VAL  22           HA       VAL  22   9.795   3.783   9.496
  150    HB   VAL  22           HB       VAL  22   8.962   1.437   9.705
  151   1HG1  VAL  22           HG13     VAL  22   9.203   2.916  11.669
  152   2HG1  VAL  22           HG11     VAL  22   7.513   3.430  11.492
  153   3HG1  VAL  22           HG12     VAL  22   7.894   1.738  11.864
  154   1HG2  VAL  22           HG22     VAL  22   6.907   1.656   8.262
  155   2HG2  VAL  22           HG23     VAL  22   6.578   0.973   9.863
  156   3HG2  VAL  22           HG21     VAL  22   6.164   2.659   9.526
  157    H    ASP  23           HN       ASP  23   8.991   5.039   6.973
  158    HA   ASP  23           HA       ASP  23   9.840   5.045   4.919
  159   1HB   ASP  23           HB2      ASP  23  11.588   2.775   5.949
  160   2HB   ASP  23           HB3      ASP  23  11.894   3.764   4.520
  161    H    CYS  24           HN       CYS  24   8.354   2.087   5.794
  162    HA   CYS  24           HA       CYS  24   9.135   0.550   3.633
  163   1HB   CYS  24           HB2      CYS  24   7.721  -1.157   4.496
  164   2HB   CYS  24           HB3      CYS  24   8.347  -0.225   5.869
  165    HG   CYS  24           HSG      CYS  24   6.219   1.449   5.787
  166    H    ILE  25           HN       ILE  25   6.721   3.003   3.370
  167    HA   ILE  25           HA       ILE  25   5.300   1.666   1.193
  168    HB   ILE  25           HB       ILE  25   5.596   4.634   1.647
  169   1HG1  ILE  25           HG12     ILE  25   3.014   3.151   2.048
  170   2HG1  ILE  25           HG13     ILE  25   4.203   3.171   3.379
  171   1HG2  ILE  25           HG21     ILE  25   5.047   3.854  -0.716
  172   2HG2  ILE  25           HG22     ILE  25   3.676   2.955  -0.089
  173   3HG2  ILE  25           HG23     ILE  25   3.698   4.722   0.037
  174   1HD1  ILE  25           HD1      ILE  25   3.929   5.860   2.472
  175   2HD1  ILE  25           HD2      ILE  25   2.297   5.163   2.446
  176   3HD1  ILE  25           HD3      ILE  25   3.215   5.162   3.934
  177    H    HIS  26           HN       HIS  26   6.845   0.808  -0.240
  178    HA   HIS  26           HA       HIS  26   9.007   2.601  -1.254
  179   1HB   HIS  26           HB2      HIS  26  10.407   0.896  -1.167
  180   2HB   HIS  26           HB3      HIS  26   9.421   0.393   0.178
  181    HD1  HIS  26           HND      HIS  26  10.814  -0.909  -3.007
  182    HD2  HIS  26           HD       HIS  26   7.356  -1.496  -0.671
  183    HE1  HIS  26           HE       HIS  26   9.841  -3.151  -3.703
  184    H    GLU  27           HN       GLU  27   9.776   1.582  -3.524
  185    HA   GLU  27           HA       GLU  27   7.328   1.555  -5.182
  186   1HB   GLU  27           HB2      GLU  27  10.160   2.116  -6.144
  187   2HB   GLU  27           HB3      GLU  27   8.624   2.563  -6.895
  188   1HG   GLU  27           HG2      GLU  27   8.240   4.073  -4.819
  189   2HG   GLU  27           HG3      GLU  27   9.934   3.765  -4.417
  190    H    GLY  28           HN       GLY  28   6.917  -0.078  -6.662
  191   1HA   GLY  28           HA2      GLY  28   8.868  -2.381  -6.736
  192   2HA   GLY  28           HA3      GLY  28   7.145  -2.497  -7.022
  193    H    GLU  29           HN       GLU  29   7.005  -3.137  -9.150
  194    HA   GLU  29           HA       GLU  29   8.912  -2.506 -11.111
  195   1HB   GLU  29           HB2      GLU  29   6.005  -3.457 -11.440
  196   2HB   GLU  29           HB3      GLU  29   7.329  -3.584 -12.574
  197   1HG   GLU  29           HG2      GLU  29   7.445  -5.683 -11.669
  198   2HG   GLU  29           HG3      GLU  29   8.489  -4.882 -10.490
  199    H    ASP  30           HN       ASP  30   5.522  -1.574 -10.968
  200    HA   ASP  30           HA       ASP  30   6.030   1.023 -12.378
  201   1HB   ASP  30           HB2      ASP  30   4.723  -0.560 -13.707
  202   2HB   ASP  30           HB3      ASP  30   3.591  -0.829 -12.377
  203    H    GLN  31           HN       GLN  31   3.631  -0.565 -10.282
  204    HA   GLN  31           HA       GLN  31   2.958   1.893  -8.936
  205   1HB   GLN  31           HB2      GLN  31   1.232   0.664  -7.898
  206   2HB   GLN  31           HB3      GLN  31   1.410   0.007  -9.533
  207   1HG   GLN  31           HG2      GLN  31   2.758  -1.880  -8.606
  208   2HG   GLN  31           HG3      GLN  31   2.494  -1.231  -6.978
  209   1HE2  GLN  31           HNE2     GLN  31  -1.060  -2.167  -6.977
  210   2HE2  GLN  31           HNE1     GLN  31  -0.114  -0.714  -6.666
  211    H    TYR  32           HN       TYR  32   2.578   1.515  -6.410
  212    HA   TYR  32           HA       TYR  32   5.275   1.081  -5.254
  213   1HB   TYR  32           HB2      TYR  32   3.116   2.907  -4.154
  214   2HB   TYR  32           HB3      TYR  32   4.846   2.946  -3.824
  215    HD1  TYR  32           HD1      TYR  32   6.403   3.470  -5.886
  216    HD2  TYR  32           HD2      TYR  32   2.172   4.157  -5.916
  217    HE1  TYR  32           HE1      TYR  32   6.551   4.215  -8.227
  218    HE2  TYR  32           HE2      TYR  32   2.307   4.939  -8.251
  219    HH   TYR  32           HOH      TYR  32   4.922   3.996 -10.156
  220    H    TYR  33           HN       TYR  33   5.308   0.282  -3.047
  221    HA   TYR  33           HA       TYR  33   2.957  -1.468  -2.358
  222   1HB   TYR  33           HB2      TYR  33   5.871  -2.273  -2.374
  223   2HB   TYR  33           HB3      TYR  33   4.560  -3.248  -1.821
  224    HD1  TYR  33           HD1      TYR  33   5.577  -1.510  -5.041
  225    HD2  TYR  33           HD2      TYR  33   3.896  -4.990  -3.173
  226    HE1  TYR  33           HE1      TYR  33   4.914  -2.379  -7.255
  227    HE2  TYR  33           HE2      TYR  33   3.181  -5.835  -5.362
  228    HH   TYR  33           HOH      TYR  33   4.493  -4.416  -8.294
  229    H    ILE  34           HN       ILE  34   3.440  -2.427  -0.186
  230    HA   ILE  34           HA       ILE  34   4.862  -0.649   1.726
  231    HB   ILE  34           HB       ILE  34   2.007  -1.734   1.874
  232   1HG1  ILE  34           HG12     ILE  34   2.687   1.086   2.544
  233   2HG1  ILE  34           HG13     ILE  34   2.783   0.693   0.831
  234   1HG2  ILE  34           HG23     ILE  34   3.699  -0.488   4.072
  235   2HG2  ILE  34           HG21     ILE  34   1.941  -0.588   4.153
  236   3HG2  ILE  34           HG22     ILE  34   2.885  -2.071   4.099
  237   1HD1  ILE  34           HD1      ILE  34   0.319   0.076   2.497
  238   2HD1  ILE  34           HD2      ILE  34   0.559   1.579   1.585
  239   3HD1  ILE  34           HD3      ILE  34   0.496   0.026   0.727
  240    H    ASP  35           HN       ASP  35   5.388  -2.001   3.692
  241    HA   ASP  35           HA       ASP  35   5.077  -4.887   3.253
  242   1HB   ASP  35           HB2      ASP  35   7.394  -4.477   3.285
  243   2HB   ASP  35           HB3      ASP  35   7.310  -3.555   4.756
  244    HA   PRO  36           HA       PRO  36   2.289  -3.661   6.609
  245   1HB   PRO  36           HB2      PRO  36   0.793  -5.970   6.798
  246   2HB   PRO  36           HB3      PRO  36   0.561  -4.652   5.629
  247   1HG   PRO  36           HG2      PRO  36   2.147  -7.265   5.351
  248   2HG   PRO  36           HG3      PRO  36   0.976  -6.678   4.151
  249   1HD   PRO  36           HD2      PRO  36   3.614  -6.343   3.850
  250   2HD   PRO  36           HD3      PRO  36   2.499  -5.026   3.366
  251    H    ASP  37           HN       ASP  37   4.666  -6.200   6.513
  252    HA   ASP  37           HA       ASP  37   4.331  -7.200   9.217
  253   1HB   ASP  37           HB2      ASP  37   5.481  -8.209   7.142
  254   2HB   ASP  37           HB3      ASP  37   6.782  -7.023   7.454
  255    H    VAL  38           HN       VAL  38   5.992  -4.554   7.535
  256    HA   VAL  38           HA       VAL  38   7.463  -3.637   9.915
  257    HB   VAL  38           HB       VAL  38   7.286  -2.679   7.034
  258   1HG1  VAL  38           HG11     VAL  38   8.722  -1.457   9.414
  259   2HG1  VAL  38           HG12     VAL  38   9.203  -1.152   7.737
  260   3HG1  VAL  38           HG13     VAL  38   7.577  -0.691   8.277
  261   1HG2  VAL  38           HG23     VAL  38   8.608  -4.767   7.486
  262   2HG2  VAL  38           HG21     VAL  38   9.602  -3.420   6.912
  263   3HG2  VAL  38           HG22     VAL  38   9.601  -3.852   8.636
  264    H    CYS  39           HN       CYS  39   4.811  -2.452   7.761
  265    HA   CYS  39           HA       CYS  39   4.312  -0.015   9.058
  266   1HB   CYS  39           HB2      CYS  39   3.264  -0.797   6.912
  267   2HB   CYS  39           HB3      CYS  39   2.449  -1.983   7.858
  268    H    ILE  40           HN       ILE  40   2.991   0.590  10.747
  269    HA   ILE  40           HA       ILE  40   2.258  -1.518  12.750
  270    HB   ILE  40           HB       ILE  40   2.675   0.171  14.441
  271   1HG1  ILE  40           HG12     ILE  40   2.562   2.267  13.195
  272   2HG1  ILE  40           HG13     ILE  40   3.981   2.094  14.215
  273   1HG2  ILE  40           HG21     ILE  40   5.057  -0.672  12.767
  274   2HG2  ILE  40           HG22     ILE  40   5.141  -0.073  14.435
  275   3HG2  ILE  40           HG23     ILE  40   4.271  -1.571  14.068
  276   1HD1  ILE  40           HD3      ILE  40   5.275   1.434  12.071
  277   2HD1  ILE  40           HD1      ILE  40   3.868   2.108  11.222
  278   3HD1  ILE  40           HD2      ILE  40   4.798   3.123  12.309
  279    H    ASP  41           HN       ASP  41   0.427  -0.875  10.717
  280    HA   ASP  41           HA       ASP  41  -1.597   0.147  10.278
  281   1HB   ASP  41           HB2      ASP  41  -1.857  -0.932  13.101
  282   2HB   ASP  41           HB3      ASP  41  -3.238  -0.188  12.287
  283    H    CYS  42           HN       CYS  42   0.317   2.108  10.874
  284    HA   CYS  42           HA       CYS  42  -0.679   3.944  12.779
  285   1HB   CYS  42           HB2      CYS  42   1.093   5.154  12.360
  286   2HB   CYS  42           HB3      CYS  42   1.692   3.658  11.657
  287    H    GLY  43           HN       GLY  43  -1.591   3.414   9.502
  288   1HA   GLY  43           HA2      GLY  43  -3.138   4.327   8.139
  289   2HA   GLY  43           HA3      GLY  43  -3.687   5.391   9.450
  290    H    ALA  44           HN       ALA  44  -3.803   7.111   7.954
  291    HA   ALA  44           HA       ALA  44  -3.141   9.269   7.577
  292   1HB   ALA  44           HB2      ALA  44  -1.191   9.129   9.114
  293   2HB   ALA  44           HB3      ALA  44  -0.211   8.444   7.800
  294   3HB   ALA  44           HB1      ALA  44  -0.871  10.073   7.646
  295    H    CYS  45           HN       CYS  45  -0.946   6.840   6.164
  296    HA   CYS  45           HA       CYS  45  -0.784   7.978   3.575
  297   1HB   CYS  45           HB2      CYS  45   0.134   5.854   2.939
  298   2HB   CYS  45           HB3      CYS  45   0.794   6.421   4.467
  299    H    GLU  46           HN       GLU  46  -3.101   5.608   4.956
  300    HA   GLU  46           HA       GLU  46  -4.487   5.206   2.442
  301   1HB   GLU  46           HB2      GLU  46  -6.357   4.483   4.249
  302   2HB   GLU  46           HB3      GLU  46  -5.059   3.459   3.656
  303   1HG   GLU  46           HG2      GLU  46  -5.231   3.158   5.948
  304   2HG   GLU  46           HG3      GLU  46  -3.697   3.946   5.696
  305    H    ALA  47           HN       ALA  47  -5.016   7.343   5.227
  306    HA   ALA  47           HA       ALA  47  -7.367   8.571   4.298
  307   1HB   ALA  47           HB3      ALA  47  -6.078   8.888   6.544
  308   2HB   ALA  47           HB1      ALA  47  -5.226  10.196   5.693
  309   3HB   ALA  47           HB2      ALA  47  -6.990  10.252   5.870
  310    H    VAL  48           HN       VAL  48  -3.921   9.392   3.483
  311    HA   VAL  48           HA       VAL  48  -4.682  11.592   1.859
  312    HB   VAL  48           HB       VAL  48  -2.454  10.723   3.092
  313   1HG1  VAL  48           HG12     VAL  48  -1.813   9.163   1.307
  314   2HG1  VAL  48           HG13     VAL  48  -1.791  10.492   0.127
  315   3HG1  VAL  48           HG11     VAL  48  -0.639  10.469   1.476
  316   1HG2  VAL  48           HG22     VAL  48  -3.208  13.065   2.348
  317   2HG2  VAL  48           HG23     VAL  48  -1.516  12.694   2.668
  318   3HG2  VAL  48           HG21     VAL  48  -2.088  12.789   0.986
  319    H    CYS  49           HN       CYS  49  -3.968   8.154   1.181
  320    HA   CYS  49           HA       CYS  49  -3.758   8.313  -1.562
  321   1HB   CYS  49           HB2      CYS  49  -3.215   6.357  -0.144
  322   2HB   CYS  49           HB3      CYS  49  -4.924   6.084   0.082
  323    HA   PRO  50           HA       PRO  50  -7.912   9.541  -2.642
  324   1HB   PRO  50           HB2      PRO  50  -7.898   8.737  -5.364
  325   2HB   PRO  50           HB3      PRO  50  -7.442  10.323  -4.687
  326   1HG   PRO  50           HG2      PRO  50  -5.684   8.051  -5.529
  327   2HG   PRO  50           HG3      PRO  50  -5.341   9.803  -5.566
  328   1HD   PRO  50           HD2      PRO  50  -4.321   8.071  -3.697
  329   2HD   PRO  50           HD3      PRO  50  -4.639   9.796  -3.327
  330    H    VAL  51           HN       VAL  51  -9.601   8.445  -1.936
  331    HA   VAL  51           HA       VAL  51 -11.114   6.869  -1.496
  332    HB   VAL  51           HB       VAL  51 -10.422   5.369  -4.038
  333   1HG1  VAL  51           HG11     VAL  51 -12.272   4.469  -2.563
  334   2HG1  VAL  51           HG12     VAL  51 -13.096   6.029  -2.713
  335   3HG1  VAL  51           HG13     VAL  51 -12.842   5.003  -4.139
  336   1HG2  VAL  51           HG21     VAL  51 -11.938   8.008  -3.822
  337   2HG2  VAL  51           HG22     VAL  51 -10.485   7.689  -4.796
  338   3HG2  VAL  51           HG23     VAL  51 -12.009   6.925  -5.227
  339    H    SER  52           HN       SER  52  -8.172   6.544  -0.766
  340    HA   SER  52           HA       SER  52  -6.795   5.060   0.209
  341   1HB   SER  52           HB2      SER  52  -9.366   3.777   1.135
  342   2HB   SER  52           HB3      SER  52  -7.780   3.727   1.925
  343    HG   SER  52           HOG      SER  52  -7.932   6.087   2.010
  344    H    ALA  53           HN       ALA  53  -6.562   4.415  -2.303
  345    HA   ALA  53           HA       ALA  53  -7.190   1.707  -3.008
  346   1HB   ALA  53           HB2      ALA  53  -6.244   3.399  -4.596
  347   2HB   ALA  53           HB3      ALA  53  -4.673   3.240  -3.774
  348   3HB   ALA  53           HB1      ALA  53  -5.383   1.845  -4.599
  349    H    ILE  54           HN       ILE  54  -4.704   3.161  -0.944
  350    HA   ILE  54           HA       ILE  54  -3.543   0.659  -0.046
  351    HB   ILE  54           HB       ILE  54  -3.709   3.427   1.203
  352   1HG1  ILE  54           HG12     ILE  54  -1.357   1.909   0.001
  353   2HG1  ILE  54           HG13     ILE  54  -2.322   3.073  -0.901
  354   1HG2  ILE  54           HG22     ILE  54  -3.543   1.657   2.962
  355   2HG2  ILE  54           HG23     ILE  54  -2.156   0.950   2.110
  356   3HG2  ILE  54           HG21     ILE  54  -2.046   2.556   2.855
  357   1HD1  ILE  54           HD1      ILE  54  -1.081   4.044   1.669
  358   2HD1  ILE  54           HD2      ILE  54  -0.074   3.821   0.234
  359   3HD1  ILE  54           HD3      ILE  54  -1.470   4.907   0.181
  360    H    TYR  55           HN       TYR  55  -4.812  -0.852   0.874
  361    HA   TYR  55           HA       TYR  55  -7.059  -0.114   2.687
  362   1HB   TYR  55           HB2      TYR  55  -6.935  -2.011   0.387
  363   2HB   TYR  55           HB3      TYR  55  -8.118  -2.253   1.676
  364    HD1  TYR  55           HD1      TYR  55  -9.373   0.251   2.196
  365    HD2  TYR  55           HD2      TYR  55  -8.032  -1.403  -1.555
  366    HE1  TYR  55           HE1      TYR  55 -11.053   1.611   0.982
  367    HE2  TYR  55           HE2      TYR  55  -9.777  -0.130  -2.745
  368    HH   TYR  55           HOH      TYR  55 -11.038   2.629  -1.515
  369    H    HIS  56           HN       HIS  56  -7.523  -1.654   4.281
  370    HA   HIS  56           HA       HIS  56  -5.111  -2.948   5.224
  371   1HB   HIS  56           HB2      HIS  56  -6.845  -1.870   6.655
  372   2HB   HIS  56           HB3      HIS  56  -7.989  -3.134   6.240
  373    HD1  HIS  56           HND      HIS  56  -7.592  -5.558   7.424
  374    HD2  HIS  56           HD       HIS  56  -4.623  -2.653   8.075
  375    HE1  HIS  56           HE       HIS  56  -5.854  -6.628   8.944
  376    H    GLU  57           HN       GLU  57  -4.750  -5.248   5.431
  377    HA   GLU  57           HA       GLU  57  -5.093  -6.381   3.001
  378   1HB   GLU  57           HB2      GLU  57  -4.017  -8.246   3.845
  379   2HB   GLU  57           HB3      GLU  57  -3.307  -6.881   4.705
  380   1HG   GLU  57           HG2      GLU  57  -4.100  -7.480   6.704
  381   2HG   GLU  57           HG3      GLU  57  -5.488  -8.410   6.097
  382    H    ASP  58           HN       ASP  58  -7.385  -6.722   5.587
  383    HA   ASP  58           HA       ASP  58  -8.782  -8.971   4.294
  384   1HB   ASP  58           HB2      ASP  58  -8.228  -8.030   7.060
  385   2HB   ASP  58           HB3      ASP  58  -9.936  -8.243   6.762
  386    H    PHE  59           HN       PHE  59  -8.797  -5.597   4.510
  387    HA   PHE  59           HA       PHE  59 -11.642  -5.146   3.947
  388   1HB   PHE  59           HB2      PHE  59  -9.502  -3.581   4.779
  389   2HB   PHE  59           HB3      PHE  59  -9.506  -3.237   3.072
  390    HD1  PHE  59           HD1      PHE  59 -11.489  -3.206   6.202
  391    HD2  PHE  59           HD2      PHE  59 -11.229  -1.787   2.138
  392    HE1  PHE  59           HE1      PHE  59 -13.156  -1.445   6.712
  393    HE2  PHE  59           HE2      PHE  59 -12.856   0.009   2.663
  394    HZ   PHE  59           HZ       PHE  59 -13.819   0.187   4.953
  395    H    VAL  60           HN       VAL  60  -8.480  -5.356   2.424
  396    HA   VAL  60           HA       VAL  60  -8.971  -5.186  -0.288
  397    HB   VAL  60           HB       VAL  60  -6.992  -6.515   1.515
  398   1HG1  VAL  60           HG13     VAL  60  -7.033  -7.054  -1.477
  399   2HG1  VAL  60           HG11     VAL  60  -5.657  -7.300  -0.394
  400   3HG1  VAL  60           HG12     VAL  60  -7.110  -8.267  -0.181
  401   1HG2  VAL  60           HG22     VAL  60  -7.212  -4.106   0.696
  402   2HG2  VAL  60           HG23     VAL  60  -5.613  -4.828   0.543
  403   3HG2  VAL  60           HG21     VAL  60  -6.722  -4.763  -0.868
  404    HA   PRO  61           HA       PRO  61 -11.633  -8.751  -0.871
  405   1HB   PRO  61           HB2      PRO  61 -11.495  -8.924  -3.642
  406   2HB   PRO  61           HB3      PRO  61 -12.504  -7.767  -2.754
  407   1HG   PRO  61           HG2      PRO  61  -9.837  -7.296  -4.074
  408   2HG   PRO  61           HG3      PRO  61 -11.241  -6.204  -3.993
  409   1HD   PRO  61           HD2      PRO  61  -8.984  -6.029  -2.358
  410   2HD   PRO  61           HD3      PRO  61 -10.589  -5.415  -1.879
  411    H    GLU  62           HN       GLU  62 -11.308 -10.983  -1.251
  412    HA   GLU  62           HA       GLU  62  -8.878 -12.138  -0.872
  413   1HB   GLU  62           HB2      GLU  62 -11.178 -13.207  -0.814
  414   2HB   GLU  62           HB3      GLU  62 -11.091 -13.366  -2.578
  415   1HG   GLU  62           HG2      GLU  62 -10.439 -15.454  -1.480
  416   2HG   GLU  62           HG3      GLU  62  -9.025 -14.766  -2.295
  417    H    GLU  63           HN       GLU  63 -10.394 -11.371  -3.952
  418    HA   GLU  63           HA       GLU  63  -8.727 -12.259  -5.941
  419   1HB   GLU  63           HB2      GLU  63 -10.787 -11.008  -6.245
  420   2HB   GLU  63           HB3      GLU  63 -10.041  -9.531  -5.607
  421   1HG   GLU  63           HG2      GLU  63  -8.546  -9.415  -7.540
  422   2HG   GLU  63           HG3      GLU  63  -9.149 -10.975  -8.135
  423    H    TRP  64           HN       TRP  64  -8.205  -9.369  -3.878
  424    HA   TRP  64           HA       TRP  64  -5.491  -9.011  -5.053
  425   1HB   TRP  64           HB2      TRP  64  -7.387  -7.071  -3.725
  426   2HB   TRP  64           HB3      TRP  64  -5.720  -6.685  -4.132
  427    HD1  TRP  64           HD       TRP  64  -5.933  -8.246  -7.063
  428    HE1  TRP  64           HNE      TRP  64  -6.970  -6.905  -9.005
  429    HE3  TRP  64           HE       TRP  64  -8.547  -4.703  -4.411
  430    HZ2  TRP  64           HZ1      TRP  64  -8.930  -4.921  -9.365
  431    HZ3  TRP  64           HZ2      TRP  64  -9.787  -2.941  -5.658
  432    HH2  TRP  64           HH       TRP  64 -10.051  -3.089  -8.115
  433    H    LYS  65           HN       LYS  65  -6.775 -10.555  -2.400
  434    HA   LYS  65           HA       LYS  65  -4.646  -9.856  -0.563
  435   1HB   LYS  65           HB2      LYS  65  -6.252 -12.419  -0.827
  436   2HB   LYS  65           HB3      LYS  65  -4.958 -12.169   0.342
  437   1HG   LYS  65           HG2      LYS  65  -6.206 -10.075   1.151
  438   2HG   LYS  65           HG3      LYS  65  -7.545 -10.588   0.129
  439   1HD   LYS  65           HD2      LYS  65  -8.147 -11.513   2.205
  440   2HD   LYS  65           HD3      LYS  65  -7.386 -12.865   1.378
  441   1HE   LYS  65           HE2      LYS  65  -6.416 -12.949   3.527
  442   2HE   LYS  65           HE3      LYS  65  -5.177 -12.123   2.577
  443   1HZ   LYS  65           HNZ2     LYS  65  -6.324 -10.018   3.440
  444   2HZ   LYS  65           HNZ3     LYS  65  -7.018 -10.974   4.568
  445   3HZ   LYS  65           HNZ1     LYS  65  -5.387 -10.861   4.490
  446    H    SER  66           HN       SER  66  -4.776 -11.640  -3.583
  447    HA   SER  66           HA       SER  66  -2.286 -12.830  -3.744
  448   1HB   SER  66           HB2      SER  66  -3.500 -10.951  -5.826
  449   2HB   SER  66           HB3      SER  66  -2.434 -12.344  -6.097
  450    HG   SER  66           HOG      SER  66  -5.141 -12.261  -5.746
  451    H    TYR  67           HN       TYR  67  -3.028  -9.278  -4.046
  452    HA   TYR  67           HA       TYR  67  -0.237  -8.551  -4.470
  453   1HB   TYR  67           HB2      TYR  67  -2.753  -6.986  -3.665
  454   2HB   TYR  67           HB3      TYR  67  -1.167  -6.281  -3.585
  455    HD1  TYR  67           HD2      TYR  67   0.285  -6.389  -5.798
  456    HD2  TYR  67           HD1      TYR  67  -3.999  -6.827  -5.684
  457    HE1  TYR  67           HE2      TYR  67   0.147  -5.773  -8.201
  458    HE2  TYR  67           HE1      TYR  67  -4.132  -6.146  -8.063
  459    HH   TYR  67           HOH      TYR  67  -2.936  -5.233  -9.861
  460    H    ILE  68           HN       ILE  68  -2.386  -8.922  -1.564
  461    HA   ILE  68           HA       ILE  68  -0.573  -7.564   0.067
  462    HB   ILE  68           HB       ILE  68  -2.732  -9.654   0.477
  463   1HG1  ILE  68           HG12     ILE  68  -4.103  -8.002   1.177
  464   2HG1  ILE  68           HG13     ILE  68  -2.809  -7.029   1.869
  465   1HG2  ILE  68           HG21     ILE  68  -1.176 -10.228   2.211
  466   2HG2  ILE  68           HG22     ILE  68  -1.121  -8.533   2.763
  467   3HG2  ILE  68           HG23     ILE  68  -2.614  -9.505   2.872
  468   1HD1  ILE  68           HD2      ILE  68  -2.189  -6.207  -0.409
  469   2HD1  ILE  68           HD3      ILE  68  -3.508  -7.168  -1.083
  470   3HD1  ILE  68           HD1      ILE  68  -3.839  -5.852   0.026
  471    H    GLN  69           HN       GLN  69  -0.927 -11.045  -0.692
  472    HA   GLN  69           HA       GLN  69   1.349 -11.981   0.748
  473   1HB   GLN  69           HB2      GLN  69  -0.200 -12.854  -1.717
  474   2HB   GLN  69           HB3      GLN  69   1.230 -13.731  -1.181
  475   1HG   GLN  69           HG2      GLN  69   0.267 -14.321   0.888
  476   2HG   GLN  69           HG3      GLN  69  -0.998 -13.088   0.766
  477   1HE2  GLN  69           HNE2     GLN  69  -3.098 -14.942  -1.452
  478   2HE2  GLN  69           HNE1     GLN  69  -2.542 -13.306  -1.096
  479    H    LYS  70           HN       LYS  70   1.047 -10.446  -2.514
  480    HA   LYS  70           HA       LYS  70   3.798 -10.731  -3.085
  481   1HB   LYS  70           HB2      LYS  70   1.788  -9.988  -4.621
  482   2HB   LYS  70           HB3      LYS  70   2.137  -8.370  -4.031
  483   1HG   LYS  70           HG2      LYS  70   4.462  -8.535  -4.788
  484   2HG   LYS  70           HG3      LYS  70   4.169 -10.170  -5.410
  485   1HD   LYS  70           HD2      LYS  70   2.539  -9.322  -7.043
  486   2HD   LYS  70           HD3      LYS  70   2.615  -7.710  -6.324
  487   1HE   LYS  70           HE2      LYS  70   5.192  -7.848  -6.808
  488   2HE   LYS  70           HE3      LYS  70   4.781  -9.164  -7.912
  489   1HZ   LYS  70           HNZ3     LYS  70   3.639  -6.421  -8.055
  490   2HZ   LYS  70           HNZ1     LYS  70   4.989  -6.898  -8.797
  491   3HZ   LYS  70           HNZ2     LYS  70   3.591  -7.600  -9.236
  492    H    ASN  71           HN       ASN  71   2.187  -7.802  -1.647
  493    HA   ASN  71           HA       ASN  71   4.537  -6.351  -1.171
  494   1HB   ASN  71           HB2      ASN  71   1.822  -6.658   0.222
  495   2HB   ASN  71           HB3      ASN  71   2.989  -5.550   0.888
  496   1HD2  ASN  71           HND2     ASN  71   1.391  -4.668  -2.826
  497   2HD2  ASN  71           HND1     ASN  71   1.399  -6.332  -2.291
  498    H    ARG  72           HN       ARG  72   3.058  -8.959   0.816
  499    HA   ARG  72           HA       ARG  72   5.031  -8.810   2.840
  500   1HB   ARG  72           HB2      ARG  72   3.072 -10.828   1.781
  501   2HB   ARG  72           HB3      ARG  72   4.395 -11.415   2.768
  502   1HG   ARG  72           HG2      ARG  72   3.830  -9.902   4.576
  503   2HG   ARG  72           HG3      ARG  72   2.677  -9.025   3.554
  504   1HD   ARG  72           HD2      ARG  72   1.175 -10.903   3.494
  505   2HD   ARG  72           HD3      ARG  72   2.315 -11.927   4.396
  506    HE   ARG  72           HNE      ARG  72   2.171 -10.063   6.184
  507   1HH1  ARG  72           HN22     ARG  72  -0.698 -11.290   4.396
  508   2HH1  ARG  72           HN21     ARG  72  -1.786 -10.541   5.563
  509   1HH2  ARG  72           HN12     ARG  72   0.608  -9.144   7.641
  510   2HH2  ARG  72           HN11     ARG  72  -1.093  -9.406   7.249
  511    H    ASP  73           HN       ASP  73   4.867 -10.861  -0.162
  512    HA   ASP  73           HA       ASP  73   7.120 -12.362   0.034
  513   1HB   ASP  73           HB2      ASP  73   5.337 -12.278  -1.820
  514   2HB   ASP  73           HB3      ASP  73   6.244 -10.987  -2.564
  515    H    PHE  74           HN       PHE  74   6.800  -9.212  -1.414
  516    HA   PHE  74           HA       PHE  74   9.312  -8.641  -2.456
  517   1HB   PHE  74           HB2      PHE  74   6.991  -7.084  -1.301
  518   2HB   PHE  74           HB3      PHE  74   8.474  -6.221  -1.557
  519    HD1  PHE  74           HD1      PHE  74   7.760  -8.865  -4.065
  520    HD2  PHE  74           HD2      PHE  74   7.111  -4.750  -2.972
  521    HE1  PHE  74           HE1      PHE  74   7.796  -8.217  -6.453
  522    HE2  PHE  74           HE2      PHE  74   7.180  -4.103  -5.351
  523    HZ   PHE  74           HZ       PHE  74   7.509  -5.824  -7.109
  524    H    PHE  75           HN       PHE  75   8.387  -8.512   0.967
  525    HA   PHE  75           HA       PHE  75  11.206  -7.768   1.673
  526   1HB   PHE  75           HB2      PHE  75   8.577  -6.994   2.966
  527   2HB   PHE  75           HB3      PHE  75  10.164  -6.587   3.570
  528    HD1  PHE  75           HD1      PHE  75   7.754  -6.030   0.835
  529    HD2  PHE  75           HD2      PHE  75  11.221  -4.549   2.899
  530    HE1  PHE  75           HE1      PHE  75   7.063  -3.742   0.312
  531    HE2  PHE  75           HE2      PHE  75  10.537  -2.230   2.362
  532    HZ   PHE  75           HZ       PHE  75   8.355  -1.832   1.222
  533    H    LYS  76           HN       LYS  76  10.025 -10.541   1.393
  534    HA   LYS  76           HA       LYS  76  10.460 -11.339   4.228
  535   1HB   LYS  76           HB2      LYS  76   8.062 -11.503   2.715
  536   2HB   LYS  76           HB3      LYS  76   8.739 -13.081   2.667
  537   1HG   LYS  76           HG2      LYS  76   7.134 -12.759   4.549
  538   2HG   LYS  76           HG3      LYS  76   8.746 -13.150   5.153
  539   1HD   LYS  76           HD2      LYS  76   7.658 -11.406   6.519
  540   2HD   LYS  76           HD3      LYS  76   9.142 -10.832   5.807
  541   1HE   LYS  76           HE2      LYS  76   7.581  -9.785   3.955
  542   2HE   LYS  76           HE3      LYS  76   6.281 -10.074   5.104
  543   1HZ   LYS  76           HNZ2     LYS  76   7.784  -8.794   6.684
  544   2HZ   LYS  76           HNZ3     LYS  76   8.709  -8.405   5.365
  545   3HZ   LYS  76           HNZ1     LYS  76   7.177  -7.866   5.458
  546    H    LYS  77           HN       LYS  77  10.711 -12.313   0.752
  547    HA   LYS  77           HA       LYS  77  12.984 -14.014   1.416
  548   1HB   LYS  77           HB2      LYS  77  11.999 -15.605  -0.151
  549   2HB   LYS  77           HB3      LYS  77  11.053 -15.436   1.334
  550   1HG   LYS  77           HG2      LYS  77   9.249 -15.289   0.077
  551   2HG   LYS  77           HG3      LYS  77   9.730 -13.691  -0.428
  552   1HD   LYS  77           HD2      LYS  77  10.501 -16.313  -1.820
  553   2HD   LYS  77           HD3      LYS  77   9.114 -15.337  -2.257
  554   1HE   LYS  77           HE2      LYS  77  12.043 -14.589  -2.577
  555   2HE   LYS  77           HE3      LYS  77  10.836 -14.872  -3.833
  556   1HZ   LYS  77           HNZ2     LYS  77   9.649 -12.888  -2.990
  557   2HZ   LYS  77           HNZ3     LYS  77  10.912 -12.599  -1.962
  558   3HZ   LYS  77           HNZ1     LYS  77  11.153 -12.548  -3.558
   
  No H/Q in entry =         557
  Start of MODEL    9
    1   1H    ALA   1           HN1      ALA   1  -2.503  -4.822   8.348
    2   2H    ALA   1           HN2      ALA   1  -2.181  -3.940   9.681
    3   2H    ALA   1           HN3      ALA   1  -2.181  -3.940   9.681
    4    HA   ALA   1           HA       ALA   1  -0.599  -2.763   8.716
    5   1HB   ALA   1           HB1      ALA   1   0.158  -5.361   7.415
    6   2HB   ALA   1           HB2      ALA   1   0.752  -3.791   6.804
    7   3HB   ALA   1           HB3      ALA   1   1.125  -4.283   8.461
    8    H    TYR   2           HN       TYR   2  -0.800  -1.406   6.884
    9    HA   TYR   2           HA       TYR   2  -3.214  -1.856   5.240
   10   1HB   TYR   2           HB2      TYR   2  -1.466   0.538   5.851
   11   2HB   TYR   2           HB3      TYR   2  -2.664   0.528   4.574
   12    HD1  TYR   2           HD1      TYR   2  -2.244   0.317   8.250
   13    HD2  TYR   2           HD2      TYR   2  -5.039   0.596   4.985
   14    HE1  TYR   2           HE1      TYR   2  -3.957   1.248   9.792
   15    HE2  TYR   2           HE2      TYR   2  -6.757   1.471   6.538
   16    HH   TYR   2           HOH      TYR   2  -6.276   3.112   8.602
   17    H    VAL   3           HN       VAL   3  -3.126  -2.202   3.061
   18    HA   VAL   3           HA       VAL   3  -0.418  -2.501   1.803
   19    HB   VAL   3           HB       VAL   3  -2.514  -4.583   1.444
   20   1HG1  VAL   3           HG13     VAL   3   0.543  -4.541   1.609
   21   2HG1  VAL   3           HG11     VAL   3  -0.403  -6.015   1.416
   22   3HG1  VAL   3           HG12     VAL   3  -0.458  -4.771   0.157
   23   1HG2  VAL   3           HG22     VAL   3  -0.862  -4.427   3.985
   24   2HG2  VAL   3           HG23     VAL   3  -2.633  -4.555   3.819
   25   3HG2  VAL   3           HG21     VAL   3  -1.605  -5.915   3.392
   26    H    ILE   4           HN       ILE   4  -0.399  -2.685  -0.416
   27    HA   ILE   4           HA       ILE   4  -2.047  -0.699  -1.616
   28    HB   ILE   4           HB       ILE   4   0.464  -1.863  -2.093
   29   1HG1  ILE   4           HG12     ILE   4   0.409  -0.791  -4.407
   30   2HG1  ILE   4           HG13     ILE   4  -1.288  -0.380  -4.124
   31   1HG2  ILE   4           HG22     ILE   4  -0.602  -3.884  -2.836
   32   2HG2  ILE   4           HG23     ILE   4  -1.148  -3.046  -4.319
   33   3HG2  ILE   4           HG21     ILE   4   0.591  -3.144  -3.958
   34   1HD1  ILE   4           HD2      ILE   4   1.091   0.475  -2.392
   35   2HD1  ILE   4           HD3      ILE   4   0.284   1.482  -3.605
   36   3HD1  ILE   4           HD1      ILE   4  -0.597   0.982  -2.146
   37    H    THR   5           HN       THR   5  -3.462  -1.026  -3.582
   38    HA   THR   5           HA       THR   5  -4.081  -3.789  -4.229
   39    HB   THR   5           HB       THR   5  -6.496  -3.384  -4.369
   40    HG1  THR   5           HOG      THR   5  -5.943  -1.016  -2.897
   41   1HG2  THR   5           HG1      THR   5  -5.607  -4.551  -2.380
   42   2HG2  THR   5           HG2      THR   5  -5.592  -3.000  -1.506
   43   3HG2  THR   5           HG3      THR   5  -7.129  -3.683  -2.092
   44    H    GLU   6           HN       GLU   6  -5.303  -3.893  -6.189
   45    HA   GLU   6           HA       GLU   6  -4.574  -3.072  -8.460
   46   1HB   GLU   6           HB2      GLU   6  -6.421  -4.505  -8.020
   47   2HB   GLU   6           HB3      GLU   6  -7.399  -3.117  -7.632
   48   1HG   GLU   6           HG2      GLU   6  -8.031  -3.734  -9.788
   49   2HG   GLU   6           HG3      GLU   6  -7.009  -2.319 -10.055
   50    HA   PRO   7           HA       PRO   7  -6.977   1.025  -9.036
   51   1HB   PRO   7           HB2      PRO   7  -7.519   2.551  -6.709
   52   2HB   PRO   7           HB3      PRO   7  -8.664   1.580  -7.672
   53   1HG   PRO   7           HG2      PRO   7  -7.133   0.747  -5.196
   54   2HG   PRO   7           HG3      PRO   7  -8.857   0.459  -5.578
   55   1HD   PRO   7           HD2      PRO   7  -7.104  -1.500  -5.951
   56   2HD   PRO   7           HD3      PRO   7  -8.280  -1.144  -7.245
   57    H    CYS   8           HN       CYS   8  -4.333   0.795  -6.640
   58    HA   CYS   8           HA       CYS   8  -3.404   3.513  -7.123
   59   1HB   CYS   8           HB2      CYS   8  -2.684   2.380  -5.144
   60   2HB   CYS   8           HB3      CYS   8  -2.092   1.028  -6.093
   61    H    ILE   9           HN       ILE   9  -3.027   0.372  -8.826
   62    HA   ILE   9           HA       ILE   9  -0.625   0.695 -10.090
   63    HB   ILE   9           HB       ILE   9  -3.114  -0.638 -11.040
   64   1HG1  ILE   9           HG12     ILE   9  -0.458  -1.645  -9.952
   65   2HG1  ILE   9           HG13     ILE   9  -1.893  -1.416  -8.938
   66   1HG2  ILE   9           HG23     ILE   9  -0.280  -0.723 -12.215
   67   2HG2  ILE   9           HG21     ILE   9  -1.588  -1.809 -12.712
   68   3HG2  ILE   9           HG22     ILE   9  -1.718  -0.102 -13.048
   69   1HD1  ILE   9           HD2      ILE   9  -1.861  -3.340 -11.274
   70   2HD1  ILE   9           HD3      ILE   9  -1.421  -3.744  -9.608
   71   3HD1  ILE   9           HD1      ILE   9  -3.057  -3.151  -9.985
   72    H    GLY  10           HN       GLY  10   0.198   2.055 -11.547
   73   1HA   GLY  10           HA2      GLY  10  -0.007   3.325 -13.580
   74   2HA   GLY  10           HA3      GLY  10  -1.610   3.870 -13.074
   75    H    THR  11           HN       THR  11  -1.125   4.498 -10.320
   76    HA   THR  11           HA       THR  11  -0.072   7.135 -10.782
   77    HB   THR  11           HB       THR  11  -0.110   7.397  -8.263
   78    HG1  THR  11           HOG      THR  11  -1.293   4.819  -8.360
   79   1HG2  THR  11           HG3      THR  11  -1.942   8.153  -9.667
   80   2HG2  THR  11           HG1      THR  11  -2.726   6.556  -9.545
   81   3HG2  THR  11           HG2      THR  11  -2.489   7.561  -8.094
   82    H    LYS  12           HN       LYS  12   1.644   8.187  -9.844
   83    HA   LYS  12           HA       LYS  12   3.641   6.745  -8.249
   84   1HB   LYS  12           HB2      LYS  12   4.588   8.459 -10.606
   85   2HB   LYS  12           HB3      LYS  12   5.573   7.747  -9.331
   86   1HG   LYS  12           HG2      LYS  12   5.956   6.171 -10.904
   87   2HG   LYS  12           HG3      LYS  12   4.498   5.469 -10.217
   88   1HD   LYS  12           HD2      LYS  12   3.219   6.854 -12.061
   89   2HD   LYS  12           HD3      LYS  12   4.813   7.229 -12.713
   90   1HE   LYS  12           HE2      LYS  12   3.875   5.384 -13.953
   91   2HE   LYS  12           HE3      LYS  12   5.243   4.759 -13.012
   92   1HZ   LYS  12           HNZ3     LYS  12   2.447   4.600 -12.084
   93   2HZ   LYS  12           HNZ1     LYS  12   3.135   3.443 -13.013
   94   3HZ   LYS  12           HNZ2     LYS  12   3.752   3.735 -11.525
   95    H    ASP  13           HN       ASP  13   2.709   9.676  -9.887
   96    HA   ASP  13           HA       ASP  13   3.306  11.933  -8.638
   97   1HB   ASP  13           HB2      ASP  13   0.821  12.469  -9.097
   98   2HB   ASP  13           HB3      ASP  13   1.793  11.874 -10.449
   99    H    ALA  14           HN       ALA  14   0.306  10.326  -7.458
  100    HA   ALA  14           HA       ALA  14  -0.187  11.709  -5.284
  101   1HB   ALA  14           HB1      ALA  14  -1.542   9.823  -6.087
  102   2HB   ALA  14           HB2      ALA  14  -0.395   8.676  -5.362
  103   3HB   ALA  14           HB3      ALA  14  -1.332   9.778  -4.327
  104    H    SER  15           HN       SER  15   2.155   8.986  -5.104
  105    HA   SER  15           HA       SER  15   3.869   8.564  -3.680
  106   1HB   SER  15           HB2      SER  15   3.876  11.602  -3.500
  107   2HB   SER  15           HB3      SER  15   5.193  10.538  -2.993
  108    HG   SER  15           HOG      SER  15   4.108  10.759  -5.601
  109    H    CYS  16           HN       CYS  16   2.304   7.549  -2.238
  110    HA   CYS  16           HA       CYS  16   1.791   8.694   0.404
  111   1HB   CYS  16           HB2      CYS  16   1.294   6.288   0.923
  112   2HB   CYS  16           HB3      CYS  16   0.263   7.079  -0.227
  113    H    VAL  17           HN       VAL  17   4.383   9.277  -0.088
  114    HA   VAL  17           HA       VAL  17   6.004   7.426   1.606
  115    HB   VAL  17           HB       VAL  17   6.621   7.365  -0.804
  116   1HG1  VAL  17           HG13     VAL  17   6.192  10.077  -0.924
  117   2HG1  VAL  17           HG11     VAL  17   7.952  10.020  -0.784
  118   3HG1  VAL  17           HG12     VAL  17   7.140   9.141  -2.091
  119   1HG2  VAL  17           HG21     VAL  17   8.306   6.844   0.882
  120   2HG2  VAL  17           HG22     VAL  17   9.022   7.635  -0.530
  121   3HG2  VAL  17           HG23     VAL  17   8.788   8.553   0.967
  122    H    GLU  18           HN       GLU  18   7.605   8.722   2.934
  123    HA   GLU  18           HA       GLU  18   8.327  10.420   4.206
  124   1HB   GLU  18           HB2      GLU  18   7.118  12.009   2.020
  125   2HB   GLU  18           HB3      GLU  18   7.229  12.815   3.590
  126   1HG   GLU  18           HG2      GLU  18   9.641  12.259   3.681
  127   2HG   GLU  18           HG3      GLU  18   9.523  11.526   2.069
  128    H    VAL  19           HN       VAL  19   4.882  10.458   3.512
  129    HA   VAL  19           HA       VAL  19   4.103  11.577   6.042
  130    HB   VAL  19           HB       VAL  19   1.861  10.888   5.493
  131   1HG1  VAL  19           HG12     VAL  19   2.870  12.892   4.391
  132   2HG1  VAL  19           HG13     VAL  19   3.264  11.892   2.978
  133   3HG1  VAL  19           HG11     VAL  19   1.574  12.144   3.442
  134   1HG2  VAL  19           HG23     VAL  19   2.230   8.638   4.539
  135   2HG2  VAL  19           HG21     VAL  19   1.309   9.657   3.432
  136   3HG2  VAL  19           HG22     VAL  19   3.027   9.354   3.121
  137    H    CYS  20           HN       CYS  20   4.952   8.297   5.058
  138    HA   CYS  20           HA       CYS  20   3.548   7.033   7.201
  139   1HB   CYS  20           HB2      CYS  20   3.865   5.883   5.160
  140   2HB   CYS  20           HB3      CYS  20   5.601   6.134   5.241
  141    HA   PRO  21           HA       PRO  21   6.493   8.112  10.414
  142   1HB   PRO  21           HB2      PRO  21   5.329   5.547  11.536
  143   2HB   PRO  21           HB3      PRO  21   5.740   7.048  12.415
  144   1HG   PRO  21           HG2      PRO  21   3.170   6.597  11.684
  145   2HG   PRO  21           HG3      PRO  21   3.891   8.210  11.388
  146   1HD   PRO  21           HD2      PRO  21   3.489   5.955   9.428
  147   2HD   PRO  21           HD3      PRO  21   3.208   7.712   9.232
  148    H    VAL  22           HN       VAL  22   6.388   4.891   8.923
  149    HA   VAL  22           HA       VAL  22   9.175   4.339   9.844
  150    HB   VAL  22           HB       VAL  22   7.375   2.925  10.766
  151   1HG1  VAL  22           HG11     VAL  22   6.965   1.963   7.904
  152   2HG1  VAL  22           HG12     VAL  22   6.298   1.196   9.354
  153   3HG1  VAL  22           HG13     VAL  22   5.795   2.826   8.920
  154   1HG2  VAL  22           HG22     VAL  22   9.717   2.119  10.528
  155   2HG2  VAL  22           HG23     VAL  22   8.483   0.854  10.569
  156   3HG2  VAL  22           HG21     VAL  22   9.240   1.293   9.029
  157    H    ASP  23           HN       ASP  23   7.716   5.634   7.239
  158    HA   ASP  23           HA       ASP  23   7.598   5.147   4.983
  159   1HB   ASP  23           HB2      ASP  23  10.004   6.465   5.869
  160   2HB   ASP  23           HB3      ASP  23  10.219   5.626   4.335
  161    H    CYS  24           HN       CYS  24   7.065   2.866   5.445
  162    HA   CYS  24           HA       CYS  24   9.113   1.021   4.324
  163   1HB   CYS  24           HB2      CYS  24   7.812  -0.765   5.072
  164   2HB   CYS  24           HB3      CYS  24   7.961   0.379   6.411
  165    HG   CYS  24           HSG      CYS  24   5.550  -0.936   6.090
  166    H    ILE  25           HN       ILE  25   7.578   3.125   2.772
  167    HA   ILE  25           HA       ILE  25   6.067   1.482   0.846
  168    HB   ILE  25           HB       ILE  25   6.504   4.498   1.027
  169   1HG1  ILE  25           HG12     ILE  25   3.854   4.175   1.245
  170   2HG1  ILE  25           HG13     ILE  25   4.306   2.588   1.845
  171   1HG2  ILE  25           HG23     ILE  25   6.249   3.670  -1.342
  172   2HG2  ILE  25           HG21     ILE  25   4.709   2.921  -0.864
  173   3HG2  ILE  25           HG22     ILE  25   4.914   4.683  -0.793
  174   1HD1  ILE  25           HD1      ILE  25   5.365   5.157   3.042
  175   2HD1  ILE  25           HD2      ILE  25   3.903   4.292   3.578
  176   3HD1  ILE  25           HD3      ILE  25   5.479   3.512   3.719
  177    H    HIS  26           HN       HIS  26   7.190   0.560  -0.797
  178    HA   HIS  26           HA       HIS  26   9.766   1.778  -1.686
  179   1HB   HIS  26           HB2      HIS  26   9.055  -1.086  -1.069
  180   2HB   HIS  26           HB3      HIS  26  10.577  -0.521  -1.710
  181    HD1  HIS  26           HND      HIS  26  11.413   1.718   0.238
  182    HD2  HIS  26           HD       HIS  26   9.242  -1.672   1.453
  183    HE1  HIS  26           HE       HIS  26  11.774   1.484   2.758
  184    H    GLU  27           HN       GLU  27  10.213   1.416  -3.872
  185    HA   GLU  27           HA       GLU  27   7.843   1.388  -5.404
  186   1HB   GLU  27           HB2      GLU  27  10.662   1.253  -6.579
  187   2HB   GLU  27           HB3      GLU  27   9.220   2.010  -7.247
  188   1HG   GLU  27           HG2      GLU  27  10.413   3.806  -6.571
  189   2HG   GLU  27           HG3      GLU  27   9.492   3.577  -5.079
  190    H    GLY  28           HN       GLY  28   7.173  -0.027  -7.155
  191   1HA   GLY  28           HA2      GLY  28   8.968  -2.361  -7.675
  192   2HA   GLY  28           HA3      GLY  28   7.247  -2.654  -7.476
  193    H    GLU  29           HN       GLU  29   6.716  -3.226  -9.588
  194    HA   GLU  29           HA       GLU  29   8.216  -2.564 -11.796
  195   1HB   GLU  29           HB2      GLU  29   5.279  -3.460 -11.642
  196   2HB   GLU  29           HB3      GLU  29   6.355  -3.545 -13.024
  197   1HG   GLU  29           HG2      GLU  29   6.563  -5.690 -12.246
  198   2HG   GLU  29           HG3      GLU  29   7.903  -4.957 -11.361
  199    H    ASP  30           HN       ASP  30   4.912  -1.474 -11.169
  200    HA   ASP  30           HA       ASP  30   5.306   0.986 -12.830
  201   1HB   ASP  30           HB2      ASP  30   3.577  -0.439 -13.691
  202   2HB   ASP  30           HB3      ASP  30   2.859  -0.681 -12.090
  203    H    GLN  31           HN       GLN  31   3.549  -0.187  -9.986
  204    HA   GLN  31           HA       GLN  31   3.326   2.548  -8.860
  205   1HB   GLN  31           HB2      GLN  31   1.738   1.349  -7.279
  206   2HB   GLN  31           HB3      GLN  31   1.242   1.431  -8.968
  207   1HG   GLN  31           HG2      GLN  31   1.632  -0.849  -9.356
  208   2HG   GLN  31           HG3      GLN  31   2.800  -0.967  -8.047
  209   1HE2  GLN  31           HNE2     GLN  31  -0.993  -0.757  -6.528
  210   2HE2  GLN  31           HNE1     GLN  31  -0.368   0.549  -7.499
  211    H    TYR  32           HN       TYR  32   3.296   2.401  -6.318
  212    HA   TYR  32           HA       TYR  32   5.808   1.120  -5.438
  213   1HB   TYR  32           HB2      TYR  32   3.925   2.753  -3.713
  214   2HB   TYR  32           HB3      TYR  32   5.619   2.392  -3.426
  215    HD1  TYR  32           HD1      TYR  32   7.380   3.752  -4.511
  216    HD2  TYR  32           HD2      TYR  32   3.211   4.530  -5.160
  217    HE1  TYR  32           HE1      TYR  32   7.937   6.033  -5.346
  218    HE2  TYR  32           HE2      TYR  32   3.723   6.851  -5.774
  219    HH   TYR  32           HOH      TYR  32   5.369   8.442  -6.117
  220    H    TYR  33           HN       TYR  33   5.719   0.030  -3.403
  221    HA   TYR  33           HA       TYR  33   3.201  -1.453  -2.762
  222   1HB   TYR  33           HB2      TYR  33   6.024  -2.567  -2.787
  223   2HB   TYR  33           HB3      TYR  33   4.613  -3.421  -2.245
  224    HD1  TYR  33           HD1      TYR  33   6.012  -1.803  -5.337
  225    HD2  TYR  33           HD2      TYR  33   3.326  -4.738  -3.725
  226    HE1  TYR  33           HE1      TYR  33   5.105  -2.219  -7.599
  227    HE2  TYR  33           HE2      TYR  33   2.407  -5.144  -5.986
  228    HH   TYR  33           HOH      TYR  33   4.235  -4.194  -8.768
  229    H    ILE  34           HN       ILE  34   3.667  -2.451  -0.478
  230    HA   ILE  34           HA       ILE  34   5.044  -0.484   1.300
  231    HB   ILE  34           HB       ILE  34   2.253  -1.706   1.703
  232   1HG1  ILE  34           HG12     ILE  34   2.940   1.192   1.125
  233   2HG1  ILE  34           HG13     ILE  34   2.264   0.077  -0.050
  234   1HG2  ILE  34           HG21     ILE  34   3.460  -1.364   3.881
  235   2HG2  ILE  34           HG22     ILE  34   3.764   0.318   3.411
  236   3HG2  ILE  34           HG23     ILE  34   2.126  -0.264   3.734
  237   1HD1  ILE  34           HD2      ILE  34   0.231  -0.184   1.286
  238   2HD1  ILE  34           HD3      ILE  34   0.847   0.991   2.476
  239   3HD1  ILE  34           HD1      ILE  34   0.548   1.495   0.812
  240    H    ASP  35           HN       ASP  35   6.289  -1.691   2.904
  241    HA   ASP  35           HA       ASP  35   6.034  -4.571   2.869
  242   1HB   ASP  35           HB2      ASP  35   8.194  -3.614   3.415
  243   2HB   ASP  35           HB3      ASP  35   7.505  -2.894   4.880
  244    HA   PRO  36           HA       PRO  36   2.676  -3.957   5.833
  245   1HB   PRO  36           HB2      PRO  36   0.961  -5.863   5.053
  246   2HB   PRO  36           HB3      PRO  36   1.502  -4.639   3.864
  247   1HG   PRO  36           HG2      PRO  36   2.521  -7.442   4.257
  248   2HG   PRO  36           HG3      PRO  36   2.113  -6.646   2.711
  249   1HD   PRO  36           HD2      PRO  36   4.704  -6.776   3.929
  250   2HD   PRO  36           HD3      PRO  36   4.227  -5.725   2.592
  251    H    ASP  37           HN       ASP  37   5.233  -5.647   6.373
  252    HA   ASP  37           HA       ASP  37   4.106  -7.053   8.756
  253   1HB   ASP  37           HB2      ASP  37   5.761  -8.195   6.979
  254   2HB   ASP  37           HB3      ASP  37   6.983  -7.275   7.852
  255    H    VAL  38           HN       VAL  38   6.459  -4.673   7.476
  256    HA   VAL  38           HA       VAL  38   7.318  -3.673  10.022
  257    HB   VAL  38           HB       VAL  38   7.419  -2.689   7.141
  258   1HG1  VAL  38           HG11     VAL  38   8.503  -1.342   9.623
  259   2HG1  VAL  38           HG12     VAL  38   9.047  -0.977   7.971
  260   3HG1  VAL  38           HG13     VAL  38   7.353  -0.694   8.414
  261   1HG2  VAL  38           HG21     VAL  38   9.487  -3.852   9.062
  262   2HG2  VAL  38           HG22     VAL  38   8.886  -4.580   7.560
  263   3HG2  VAL  38           HG23     VAL  38   9.890  -3.125   7.495
  264    H    CYS  39           HN       CYS  39   4.783  -2.685   7.638
  265    HA   CYS  39           HA       CYS  39   4.136  -0.211   8.771
  266   1HB   CYS  39           HB2      CYS  39   3.171  -1.067   6.685
  267   2HB   CYS  39           HB3      CYS  39   2.332  -2.280   7.612
  268    H    ILE  40           HN       ILE  40   3.437   0.393  10.723
  269    HA   ILE  40           HA       ILE  40   2.644  -1.639  12.702
  270    HB   ILE  40           HB       ILE  40   2.975   0.126  14.328
  271   1HG1  ILE  40           HG12     ILE  40   2.525   2.046  12.713
  272   2HG1  ILE  40           HG13     ILE  40   3.659   2.232  14.043
  273   1HG2  ILE  40           HG21     ILE  40   4.769  -1.435  13.786
  274   2HG2  ILE  40           HG22     ILE  40   5.384  -0.333  12.543
  275   3HG2  ILE  40           HG23     ILE  40   5.407   0.151  14.251
  276   1HD1  ILE  40           HD2      ILE  40   4.527   1.758  11.164
  277   2HD1  ILE  40           HD3      ILE  40   4.472   3.304  12.007
  278   3HD1  ILE  40           HD1      ILE  40   5.576   2.042  12.564
  279    H    ASP  41           HN       ASP  41   0.736  -0.748  10.602
  280    HA   ASP  41           HA       ASP  41  -1.445  -0.090  10.353
  281   1HB   ASP  41           HB2      ASP  41  -1.477  -1.586  12.999
  282   2HB   ASP  41           HB3      ASP  41  -2.963  -0.929  12.305
  283    H    CYS  42           HN       CYS  42   0.145   1.985  11.066
  284    HA   CYS  42           HA       CYS  42  -0.669   3.390  13.319
  285   1HB   CYS  42           HB2      CYS  42   0.595   5.127  12.586
  286   2HB   CYS  42           HB3      CYS  42   1.420   3.710  11.952
  287    H    GLY  43           HN       GLY  43  -1.931   3.636  10.012
  288   1HA   GLY  43           HA2      GLY  43  -3.876   4.495   9.217
  289   2HA   GLY  43           HA3      GLY  43  -4.420   4.979  10.812
  290    H    ALA  44           HN       ALA  44  -2.921   6.007   7.912
  291    HA   ALA  44           HA       ALA  44  -3.008   8.770   8.572
  292   1HB   ALA  44           HB3      ALA  44  -0.178   7.618   8.430
  293   2HB   ALA  44           HB1      ALA  44  -0.597   9.342   8.394
  294   3HB   ALA  44           HB2      ALA  44  -0.928   8.381   9.844
  295    H    CYS  45           HN       CYS  45  -1.075   6.488   6.603
  296    HA   CYS  45           HA       CYS  45  -0.858   8.018   4.285
  297   1HB   CYS  45           HB2      CYS  45  -0.389   5.878   3.182
  298   2HB   CYS  45           HB3      CYS  45   0.546   6.194   4.622
  299    H    GLU  46           HN       GLU  46  -3.568   5.882   5.294
  300    HA   GLU  46           HA       GLU  46  -4.939   5.838   2.836
  301   1HB   GLU  46           HB2      GLU  46  -6.487   6.119   5.416
  302   2HB   GLU  46           HB3      GLU  46  -6.839   5.178   3.970
  303   1HG   GLU  46           HG2      GLU  46  -6.209   3.501   5.378
  304   2HG   GLU  46           HG3      GLU  46  -4.612   3.856   4.707
  305    H    ALA  47           HN       ALA  47  -4.677   8.505   5.183
  306    HA   ALA  47           HA       ALA  47  -7.047   9.904   4.310
  307   1HB   ALA  47           HB2      ALA  47  -4.635  10.681   5.954
  308   2HB   ALA  47           HB3      ALA  47  -5.737  11.918   5.352
  309   3HB   ALA  47           HB1      ALA  47  -6.352  10.624   6.395
  310    H    VAL  48           HN       VAL  48  -3.684   9.832   3.121
  311    HA   VAL  48           HA       VAL  48  -4.294  12.099   1.297
  312    HB   VAL  48           HB       VAL  48  -2.011  12.035   0.617
  313   1HG1  VAL  48           HG13     VAL  48  -2.706  13.361   2.597
  314   2HG1  VAL  48           HG11     VAL  48  -2.265  12.006   3.657
  315   3HG1  VAL  48           HG12     VAL  48  -1.018  12.830   2.702
  316   1HG2  VAL  48           HG22     VAL  48  -1.500   9.596   0.894
  317   2HG2  VAL  48           HG23     VAL  48  -0.310  10.665   1.642
  318   3HG2  VAL  48           HG21     VAL  48  -1.498   9.841   2.659
  319    H    CYS  49           HN       CYS  49  -3.845   8.543   1.222
  320    HA   CYS  49           HA       CYS  49  -3.443   8.344  -1.496
  321   1HB   CYS  49           HB2      CYS  49  -3.197   6.464   0.111
  322   2HB   CYS  49           HB3      CYS  49  -4.939   6.402   0.230
  323    HA   PRO  50           HA       PRO  50  -7.402   9.755  -3.069
  324   1HB   PRO  50           HB2      PRO  50  -7.016   8.515  -5.665
  325   2HB   PRO  50           HB3      PRO  50  -6.925  10.233  -5.209
  326   1HG   PRO  50           HG2      PRO  50  -4.748   8.351  -5.732
  327   2HG   PRO  50           HG3      PRO  50  -4.647  10.112  -5.478
  328   1HD   PRO  50           HD2      PRO  50  -3.853   8.060  -3.691
  329   2HD   PRO  50           HD3      PRO  50  -3.966   9.801  -3.315
  330    H    VAL  51           HN       VAL  51  -9.190   8.765  -2.409
  331    HA   VAL  51           HA       VAL  51 -10.818   7.292  -2.034
  332    HB   VAL  51           HB       VAL  51  -9.942   5.617  -4.406
  333   1HG1  VAL  51           HG11     VAL  51 -12.685   6.475  -3.363
  334   2HG1  VAL  51           HG12     VAL  51 -12.381   5.433  -4.767
  335   3HG1  VAL  51           HG13     VAL  51 -11.977   4.863  -3.152
  336   1HG2  VAL  51           HG21     VAL  51 -11.316   8.340  -4.491
  337   2HG2  VAL  51           HG22     VAL  51  -9.780   7.899  -5.271
  338   3HG2  VAL  51           HG23     VAL  51 -11.282   7.190  -5.842
  339    H    SER  52           HN       SER  52  -7.960   6.817  -0.994
  340    HA   SER  52           HA       SER  52  -6.850   5.313   0.260
  341   1HB   SER  52           HB2      SER  52  -8.875   5.600   1.577
  342   2HB   SER  52           HB3      SER  52  -9.582   4.154   0.812
  343    HG   SER  52           HOG      SER  52  -7.595   3.066   1.648
  344    H    ALA  53           HN       ALA  53  -6.479   4.682  -2.332
  345    HA   ALA  53           HA       ALA  53  -7.158   2.014  -3.101
  346   1HB   ALA  53           HB2      ALA  53  -6.089   3.660  -4.631
  347   2HB   ALA  53           HB3      ALA  53  -4.575   3.509  -3.715
  348   3HB   ALA  53           HB1      ALA  53  -5.224   2.110  -4.575
  349    H    ILE  54           HN       ILE  54  -4.763   3.301  -0.845
  350    HA   ILE  54           HA       ILE  54  -3.611   0.776  -0.052
  351    HB   ILE  54           HB       ILE  54  -3.994   3.443   1.379
  352   1HG1  ILE  54           HG12     ILE  54  -1.533   2.177   0.106
  353   2HG1  ILE  54           HG13     ILE  54  -2.524   3.460  -0.591
  354   1HG2  ILE  54           HG22     ILE  54  -3.099   0.798   2.360
  355   2HG2  ILE  54           HG23     ILE  54  -1.941   2.076   2.690
  356   3HG2  ILE  54           HG21     ILE  54  -3.608   2.258   3.243
  357   1HD1  ILE  54           HD2      ILE  54  -2.004   4.957   1.309
  358   2HD1  ILE  54           HD3      ILE  54  -0.878   3.748   1.950
  359   3HD1  ILE  54           HD1      ILE  54  -0.582   4.464   0.375
  360    H    TYR  55           HN       TYR  55  -4.858  -0.873   0.749
  361    HA   TYR  55           HA       TYR  55  -7.110  -0.216   2.573
  362   1HB   TYR  55           HB2      TYR  55  -6.980  -2.187   0.338
  363   2HB   TYR  55           HB3      TYR  55  -8.185  -2.318   1.614
  364    HD1  TYR  55           HD1      TYR  55  -9.269   0.335   2.027
  365    HD2  TYR  55           HD2      TYR  55  -8.104  -1.585  -1.649
  366    HE1  TYR  55           HE1      TYR  55 -10.839   1.767   0.780
  367    HE2  TYR  55           HE2      TYR  55  -9.583  -0.055  -2.910
  368    HH   TYR  55           HOH      TYR  55 -10.668   2.835  -1.648
  369    H    HIS  56           HN       HIS  56  -7.483  -1.638   4.245
  370    HA   HIS  56           HA       HIS  56  -5.069  -2.973   5.157
  371   1HB   HIS  56           HB2      HIS  56  -6.702  -1.662   6.588
  372   2HB   HIS  56           HB3      HIS  56  -7.884  -2.949   6.349
  373    HD1  HIS  56           HND      HIS  56  -7.672  -4.940   8.128
  374    HD2  HIS  56           HD       HIS  56  -4.255  -2.528   7.723
  375    HE1  HIS  56           HE       HIS  56  -5.895  -5.941   9.653
  376    H    GLU  57           HN       GLU  57  -4.853  -5.246   5.514
  377    HA   GLU  57           HA       GLU  57  -5.762  -6.893   3.519
  378   1HB   GLU  57           HB2      GLU  57  -3.831  -7.461   4.787
  379   2HB   GLU  57           HB3      GLU  57  -4.768  -7.556   6.286
  380   1HG   GLU  57           HG2      GLU  57  -4.124  -9.742   5.555
  381   2HG   GLU  57           HG3      GLU  57  -5.875  -9.599   5.520
  382    H    ASP  58           HN       ASP  58  -7.510  -5.938   6.328
  383    HA   ASP  58           HA       ASP  58  -9.419  -8.115   6.506
  384   1HB   ASP  58           HB2      ASP  58  -8.991  -6.586   8.383
  385   2HB   ASP  58           HB3      ASP  58  -9.586  -5.204   7.420
  386    H    PHE  59           HN       PHE  59  -9.389  -4.830   4.973
  387    HA   PHE  59           HA       PHE  59 -11.988  -4.983   3.820
  388   1HB   PHE  59           HB2      PHE  59  -9.511  -3.303   3.309
  389   2HB   PHE  59           HB3      PHE  59 -11.113  -2.974   2.726
  390    HD1  PHE  59           HD1      PHE  59 -11.899  -4.007   5.948
  391    HD2  PHE  59           HD2      PHE  59  -9.907  -0.784   3.868
  392    HE1  PHE  59           HE1      PHE  59 -12.225  -2.555   7.884
  393    HE2  PHE  59           HE2      PHE  59 -10.291   0.697   5.812
  394    HZ   PHE  59           HZ       PHE  59 -11.441  -0.183   7.836
  395    H    VAL  60           HN       VAL  60  -8.655  -5.680   2.835
  396    HA   VAL  60           HA       VAL  60  -8.929  -5.396   0.106
  397    HB   VAL  60           HB       VAL  60  -7.115  -7.020   1.838
  398   1HG1  VAL  60           HG13     VAL  60  -7.271  -8.464  -0.211
  399   2HG1  VAL  60           HG11     VAL  60  -6.855  -7.033  -1.184
  400   3HG1  VAL  60           HG12     VAL  60  -5.711  -7.681  -0.015
  401   1HG2  VAL  60           HG22     VAL  60  -6.952  -4.512   1.442
  402   2HG2  VAL  60           HG23     VAL  60  -5.531  -5.372   0.832
  403   3HG2  VAL  60           HG21     VAL  60  -6.828  -4.891  -0.293
  404    HA   PRO  61           HA       PRO  61 -11.765  -8.675  -0.944
  405   1HB   PRO  61           HB2      PRO  61 -11.215  -8.680  -3.744
  406   2HB   PRO  61           HB3      PRO  61 -12.500  -7.798  -2.898
  407   1HG   PRO  61           HG2      PRO  61  -9.932  -6.836  -3.974
  408   2HG   PRO  61           HG3      PRO  61 -11.381  -5.878  -3.573
  409   1HD   PRO  61           HD2      PRO  61  -8.970  -5.980  -2.060
  410   2HD   PRO  61           HD3      PRO  61 -10.546  -5.373  -1.482
  411    H    GLU  62           HN       GLU  62 -11.689 -10.872  -1.579
  412    HA   GLU  62           HA       GLU  62  -9.471 -12.300  -0.888
  413   1HB   GLU  62           HB2      GLU  62 -11.864 -13.091  -1.116
  414   2HB   GLU  62           HB3      GLU  62 -11.603 -13.241  -2.863
  415   1HG   GLU  62           HG2      GLU  62  -9.833 -14.922  -2.431
  416   2HG   GLU  62           HG3      GLU  62 -10.022 -14.679  -0.684
  417    H    GLU  63           HN       GLU  63 -10.380 -11.356  -4.182
  418    HA   GLU  63           HA       GLU  63  -8.444 -12.522  -5.762
  419   1HB   GLU  63           HB2      GLU  63 -10.345 -10.878  -6.213
  420   2HB   GLU  63           HB3      GLU  63  -9.112  -9.611  -6.118
  421   1HG   GLU  63           HG2      GLU  63  -9.172 -12.015  -8.015
  422   2HG   GLU  63           HG3      GLU  63  -9.713 -10.375  -8.399
  423    H    TRP  64           HN       TRP  64  -8.164  -9.515  -3.830
  424    HA   TRP  64           HA       TRP  64  -5.344  -9.191  -4.610
  425   1HB   TRP  64           HB2      TRP  64  -7.313  -7.335  -3.284
  426   2HB   TRP  64           HB3      TRP  64  -5.656  -6.907  -3.697
  427    HD1  TRP  64           HD       TRP  64  -6.075  -8.778  -6.537
  428    HE1  TRP  64           HNE      TRP  64  -7.458  -8.010  -8.409
  429    HE3  TRP  64           HE       TRP  64  -8.341  -4.787  -4.202
  430    HZ2  TRP  64           HZ1      TRP  64  -9.352  -5.865  -8.957
  431    HZ3  TRP  64           HZ2      TRP  64  -9.847  -3.324  -5.533
  432    HH2  TRP  64           HH       TRP  64 -10.460  -3.938  -7.858
  433    H    LYS  65           HN       LYS  65  -6.640 -11.045  -2.217
  434    HA   LYS  65           HA       LYS  65  -4.465 -10.846  -0.325
  435   1HB   LYS  65           HB2      LYS  65  -5.993 -13.173  -1.504
  436   2HB   LYS  65           HB3      LYS  65  -4.560 -13.421  -0.535
  437   1HG   LYS  65           HG2      LYS  65  -6.778 -13.488   0.711
  438   2HG   LYS  65           HG3      LYS  65  -5.404 -12.592   1.398
  439   1HD   LYS  65           HD2      LYS  65  -6.308 -10.477   0.667
  440   2HD   LYS  65           HD3      LYS  65  -7.689 -11.258  -0.118
  441   1HE   LYS  65           HE2      LYS  65  -8.563 -11.941   2.051
  442   2HE   LYS  65           HE3      LYS  65  -6.979 -11.628   2.811
  443   1HZ   LYS  65           HNZ3     LYS  65  -7.202  -9.347   2.378
  444   2HZ   LYS  65           HNZ1     LYS  65  -8.729  -9.502   1.741
  445   3HZ   LYS  65           HNZ2     LYS  65  -8.392  -9.766   3.335
  446    H    SER  66           HN       SER  66  -4.619 -11.850  -3.779
  447    HA   SER  66           HA       SER  66  -2.038 -12.886  -4.058
  448   1HB   SER  66           HB2      SER  66  -3.543 -11.111  -6.042
  449   2HB   SER  66           HB3      SER  66  -2.248 -12.270  -6.398
  450    HG   SER  66           HOG      SER  66  -4.921 -12.690  -5.781
  451    H    TYR  67           HN       TYR  67  -3.068  -9.409  -4.235
  452    HA   TYR  67           HA       TYR  67  -0.360  -8.478  -4.722
  453   1HB   TYR  67           HB2      TYR  67  -2.917  -7.115  -3.734
  454   2HB   TYR  67           HB3      TYR  67  -1.383  -6.279  -3.791
  455    HD1  TYR  67           HD1      TYR  67  -0.117  -6.678  -6.259
  456    HD2  TYR  67           HD2      TYR  67  -4.349  -6.572  -5.509
  457    HE1  TYR  67           HE1      TYR  67  -0.542  -6.299  -8.676
  458    HE2  TYR  67           HE2      TYR  67  -4.771  -6.192  -7.921
  459    HH   TYR  67           HOH      TYR  67  -3.797  -5.688  -9.971
  460    H    ILE  68           HN       ILE  68  -2.393  -8.861  -1.705
  461    HA   ILE  68           HA       ILE  68  -0.491  -7.503  -0.184
  462    HB   ILE  68           HB       ILE  68  -2.653  -9.561   0.349
  463   1HG1  ILE  68           HG12     ILE  68  -3.916  -7.853   1.143
  464   2HG1  ILE  68           HG13     ILE  68  -2.555  -6.885   1.655
  465   1HG2  ILE  68           HG22     ILE  68  -0.788  -8.412   2.442
  466   2HG2  ILE  68           HG23     ILE  68  -2.373  -9.129   2.802
  467   3HG2  ILE  68           HG21     ILE  68  -1.113 -10.127   2.072
  468   1HD1  ILE  68           HD3      ILE  68  -2.136  -6.220  -0.756
  469   2HD1  ILE  68           HD1      ILE  68  -3.622  -7.079  -1.174
  470   3HD1  ILE  68           HD2      ILE  68  -3.669  -5.700  -0.113
  471    H    GLN  69           HN       GLN  69  -0.777 -11.003  -0.950
  472    HA   GLN  69           HA       GLN  69   1.584 -11.844   0.383
  473   1HB   GLN  69           HB2      GLN  69  -0.046 -12.813  -1.969
  474   2HB   GLN  69           HB3      GLN  69   1.476 -13.590  -1.547
  475   1HG   GLN  69           HG2      GLN  69   0.738 -14.176   0.626
  476   2HG   GLN  69           HG3      GLN  69  -0.651 -13.082   0.556
  477   1HE2  GLN  69           HNE2     GLN  69  -2.641 -15.220  -1.541
  478   2HE2  GLN  69           HNE1     GLN  69  -2.203 -13.526  -1.286
  479    H    LYS  70           HN       LYS  70   1.106 -10.422  -2.921
  480    HA   LYS  70           HA       LYS  70   3.803 -10.582  -3.674
  481   1HB   LYS  70           HB2      LYS  70   1.711  -9.810  -5.064
  482   2HB   LYS  70           HB3      LYS  70   1.999  -8.234  -4.347
  483   1HG   LYS  70           HG2      LYS  70   4.241  -8.105  -5.294
  484   2HG   LYS  70           HG3      LYS  70   4.015  -9.694  -6.067
  485   1HD   LYS  70           HD2      LYS  70   2.145  -8.803  -7.415
  486   2HD   LYS  70           HD3      LYS  70   2.134  -7.324  -6.463
  487   1HE   LYS  70           HE2      LYS  70   3.119  -6.772  -8.550
  488   2HE   LYS  70           HE3      LYS  70   4.371  -6.685  -7.313
  489   1HZ   LYS  70           HNZ1     LYS  70   5.125  -8.868  -8.066
  490   2HZ   LYS  70           HNZ2     LYS  70   3.976  -8.864  -9.260
  491   3HZ   LYS  70           HNZ3     LYS  70   5.160  -7.731  -9.243
  492    H    ASN  71           HN       ASN  71   2.238  -7.743  -2.029
  493    HA   ASN  71           HA       ASN  71   4.554  -6.216  -1.657
  494   1HB   ASN  71           HB2      ASN  71   2.038  -6.667   0.017
  495   2HB   ASN  71           HB3      ASN  71   3.279  -5.540   0.518
  496   1HD2  ASN  71           HND2     ASN  71   1.124  -4.621  -2.861
  497   2HD2  ASN  71           HND1     ASN  71   1.171  -6.283  -2.330
  498    H    ARG  72           HN       ARG  72   3.326  -8.931   0.388
  499    HA   ARG  72           HA       ARG  72   5.544  -8.782   2.194
  500   1HB   ARG  72           HB2      ARG  72   3.330 -10.653   1.538
  501   2HB   ARG  72           HB3      ARG  72   4.803 -11.469   2.040
  502   1HG   ARG  72           HG2      ARG  72   4.904 -10.175   4.100
  503   2HG   ARG  72           HG3      ARG  72   3.715  -9.037   3.466
  504   1HD   ARG  72           HD2      ARG  72   1.965 -10.815   3.537
  505   2HD   ARG  72           HD3      ARG  72   3.091 -11.857   4.407
  506    HE   ARG  72           HNE      ARG  72   1.628  -9.519   5.391
  507   1HH1  ARG  72           HN22     ARG  72   4.505 -11.542   6.065
  508   2HH1  ARG  72           HN21     ARG  72   4.784 -10.692   7.596
  509   1HH2  ARG  72           HN12     ARG  72   2.395  -8.298   7.352
  510   2HH2  ARG  72           HN11     ARG  72   3.582  -9.161   8.309
  511    H    ASP  73           HN       ASP  73   5.125 -10.644  -0.860
  512    HA   ASP  73           HA       ASP  73   7.499 -12.092  -0.708
  513   1HB   ASP  73           HB2      ASP  73   5.439 -12.056  -2.438
  514   2HB   ASP  73           HB3      ASP  73   6.570 -11.138  -3.401
  515    H    PHE  74           HN       PHE  74   6.843  -8.955  -2.020
  516    HA   PHE  74           HA       PHE  74   9.199  -8.264  -3.325
  517   1HB   PHE  74           HB2      PHE  74   6.990  -6.842  -1.964
  518   2HB   PHE  74           HB3      PHE  74   8.486  -5.969  -1.880
  519    HD1  PHE  74           HD1      PHE  74   6.801  -8.105  -4.493
  520    HD2  PHE  74           HD2      PHE  74   8.740  -4.368  -3.562
  521    HE1  PHE  74           HE1      PHE  74   6.760  -7.461  -6.899
  522    HE2  PHE  74           HE2      PHE  74   8.673  -3.740  -5.920
  523    HZ   PHE  74           HZ       PHE  74   7.605  -5.249  -7.610
  524    H    PHE  75           HN       PHE  75   8.642  -8.228   0.215
  525    HA   PHE  75           HA       PHE  75  11.544  -7.612   0.624
  526   1HB   PHE  75           HB2      PHE  75   9.274  -7.283   2.585
  527   2HB   PHE  75           HB3      PHE  75  10.873  -6.581   2.643
  528    HD1  PHE  75           HD2      PHE  75  11.477  -5.047   0.454
  529    HD2  PHE  75           HD1      PHE  75   7.509  -5.995   1.817
  530    HE1  PHE  75           HE2      PHE  75  10.543  -3.330  -1.073
  531    HE2  PHE  75           HE1      PHE  75   6.566  -4.303   0.275
  532    HZ   PHE  75           HZ       PHE  75   8.065  -3.014  -1.217
  533    H    LYS  76           HN       LYS  76  10.140 -10.301   0.129
  534    HA   LYS  76           HA       LYS  76  11.215 -11.764   2.509
  535   1HB   LYS  76           HB2      LYS  76   8.763 -11.362   2.803
  536   2HB   LYS  76           HB3      LYS  76   8.537 -12.027   1.179
  537   1HG   LYS  76           HG2      LYS  76   9.721 -14.189   2.162
  538   2HG   LYS  76           HG3      LYS  76   9.432 -13.428   3.714
  539   1HD   LYS  76           HD2      LYS  76   7.582 -14.958   3.212
  540   2HD   LYS  76           HD3      LYS  76   7.000 -13.287   3.265
  541   1HE   LYS  76           HE2      LYS  76   6.144 -14.848   1.355
  542   2HE   LYS  76           HE3      LYS  76   6.575 -13.191   0.984
  543   1HZ   LYS  76           HNZ2     LYS  76   8.739 -14.011   0.175
  544   2HZ   LYS  76           HNZ3     LYS  76   8.249 -15.565   0.445
  545   3HZ   LYS  76           HNZ1     LYS  76   7.479 -14.610  -0.654
  546    H    LYS  77           HN       LYS  77  13.028 -12.417   1.119
  547    HA   LYS  77           HA       LYS  77  12.412 -14.318  -0.985
  548   1HB   LYS  77           HB2      LYS  77  14.559 -12.198  -1.093
  549   2HB   LYS  77           HB3      LYS  77  13.902 -13.212  -2.360
  550   1HG   LYS  77           HG2      LYS  77  11.852 -11.282  -1.393
  551   2HG   LYS  77           HG3      LYS  77  13.358 -10.487  -1.714
  552   1HD   LYS  77           HD2      LYS  77  12.013 -10.400  -3.684
  553   2HD   LYS  77           HD3      LYS  77  13.435 -11.395  -4.007
  554   1HE   LYS  77           HE2      LYS  77  11.226 -12.261  -4.923
  555   2HE   LYS  77           HE3      LYS  77  12.135 -13.439  -3.966
  556   1HZ   LYS  77           HNZ1     LYS  77  10.024 -11.767  -2.789
  557   2HZ   LYS  77           HNZ2     LYS  77   9.651 -13.161  -3.507
  558   3HZ   LYS  77           HNZ3     LYS  77  10.628 -13.128  -2.154
   
  No H/Q in entry =         557
  Start of MODEL   10
    1   1H    ALA   1           HN1      ALA   1  -2.762  -4.767   8.453
    2   2H    ALA   1           HN2      ALA   1  -2.554  -3.746   9.709
    3   2H    ALA   1           HN3      ALA   1  -2.554  -3.746   9.709
    4    HA   ALA   1           HA       ALA   1  -0.833  -2.678   8.807
    5   1HB   ALA   1           HB1      ALA   1  -0.232  -5.243   7.311
    6   2HB   ALA   1           HB2      ALA   1   0.646  -3.701   7.117
    7   3HB   ALA   1           HB3      ALA   1   0.645  -4.525   8.692
    8    H    TYR   2           HN       TYR   2  -0.929  -1.343   6.932
    9    HA   TYR   2           HA       TYR   2  -3.379  -1.702   5.290
   10   1HB   TYR   2           HB2      TYR   2  -1.612   0.674   5.930
   11   2HB   TYR   2           HB3      TYR   2  -2.873   0.675   4.713
   12    HD1  TYR   2           HD2      TYR   2  -2.311   0.156   8.367
   13    HD2  TYR   2           HD1      TYR   2  -5.177   0.973   5.247
   14    HE1  TYR   2           HE2      TYR   2  -4.005   0.720  10.072
   15    HE2  TYR   2           HE1      TYR   2  -6.862   1.572   6.962
   16    HH   TYR   2           HOH      TYR   2  -5.971   1.949  10.358
   17    H    VAL   3           HN       VAL   3  -3.188  -2.287   3.191
   18    HA   VAL   3           HA       VAL   3  -0.442  -2.454   2.000
   19    HB   VAL   3           HB       VAL   3  -2.444  -4.627   1.637
   20   1HG1  VAL   3           HG12     VAL   3   0.600  -4.489   1.926
   21   2HG1  VAL   3           HG13     VAL   3  -0.304  -5.992   1.724
   22   3HG1  VAL   3           HG11     VAL   3  -0.322  -4.778   0.437
   23   1HG2  VAL   3           HG23     VAL   3  -0.904  -4.332   4.233
   24   2HG2  VAL   3           HG21     VAL   3  -2.662  -4.534   3.997
   25   3HG2  VAL   3           HG22     VAL   3  -1.571  -5.866   3.652
   26    H    ILE   4           HN       ILE   4  -0.437  -2.835  -0.269
   27    HA   ILE   4           HA       ILE   4  -2.019  -0.842  -1.486
   28    HB   ILE   4           HB       ILE   4   0.398  -2.068  -2.023
   29   1HG1  ILE   4           HG12     ILE   4   0.251  -1.214  -4.397
   30   2HG1  ILE   4           HG13     ILE   4  -1.445  -0.821  -4.140
   31   1HG2  ILE   4           HG23     ILE   4  -0.535  -4.173  -2.477
   32   2HG2  ILE   4           HG21     ILE   4  -1.386  -3.555  -3.934
   33   3HG2  ILE   4           HG22     ILE   4   0.365  -3.479  -3.857
   34   1HD1  ILE   4           HD3      ILE   4   0.834   0.234  -2.389
   35   2HD1  ILE   4           HD1      ILE   4   0.187   1.081  -3.796
   36   3HD1  ILE   4           HD2      ILE   4  -0.856   0.789  -2.394
   37    H    THR   5           HN       THR   5  -3.484  -1.043  -3.372
   38    HA   THR   5           HA       THR   5  -4.065  -3.751  -4.187
   39    HB   THR   5           HB       THR   5  -6.468  -3.313  -4.520
   40    HG1  THR   5           HOG      THR   5  -6.005  -1.046  -2.892
   41   1HG2  THR   5           HG1      THR   5  -5.729  -4.589  -2.518
   42   2HG2  THR   5           HG2      THR   5  -5.777  -3.076  -1.581
   43   3HG2  THR   5           HG3      THR   5  -7.269  -3.733  -2.294
   44    H    GLU   6           HN       GLU   6  -4.864  -3.821  -6.256
   45    HA   GLU   6           HA       GLU   6  -4.211  -2.889  -8.446
   46   1HB   GLU   6           HB2      GLU   6  -6.059  -4.356  -8.050
   47   2HB   GLU   6           HB3      GLU   6  -7.051  -3.003  -7.648
   48   1HG   GLU   6           HG2      GLU   6  -7.669  -3.525  -9.814
   49   2HG   GLU   6           HG3      GLU   6  -6.584  -2.155 -10.077
   50    HA   PRO   7           HA       PRO   7  -6.441   1.270  -8.975
   51   1HB   PRO   7           HB2      PRO   7  -7.272   2.660  -6.636
   52   2HB   PRO   7           HB3      PRO   7  -8.275   1.827  -7.849
   53   1HG   PRO   7           HG2      PRO   7  -7.257   0.780  -5.210
   54   2HG   PRO   7           HG3      PRO   7  -8.847   0.509  -5.976
   55   1HD   PRO   7           HD2      PRO   7  -6.946  -1.383  -6.047
   56   2HD   PRO   7           HD3      PRO   7  -7.946  -1.040  -7.491
   57    H    CYS   8           HN       CYS   8  -3.901   0.788  -6.601
   58    HA   CYS   8           HA       CYS   8  -2.886   3.503  -6.683
   59   1HB   CYS   8           HB2      CYS   8  -2.023   1.881  -5.081
   60   2HB   CYS   8           HB3      CYS   8  -1.544   0.826  -6.412
   61    H    ILE   9           HN       ILE   9  -2.833   0.755  -8.921
   62    HA   ILE   9           HA       ILE   9  -0.496   1.147 -10.253
   63    HB   ILE   9           HB       ILE   9  -3.105   0.020 -11.227
   64   1HG1  ILE   9           HG12     ILE   9  -0.482  -1.306 -10.558
   65   2HG1  ILE   9           HG13     ILE   9  -1.622  -0.923  -9.253
   66   1HG2  ILE   9           HG23     ILE   9  -0.312  -0.022 -12.505
   67   2HG2  ILE   9           HG21     ILE   9  -1.640  -1.088 -13.002
   68   3HG2  ILE   9           HG22     ILE   9  -1.780   0.654 -13.244
   69   1HD1  ILE   9           HD3      ILE   9  -3.306  -2.318 -10.494
   70   2HD1  ILE   9           HD1      ILE   9  -1.971  -2.839 -11.557
   71   3HD1  ILE   9           HD2      ILE   9  -1.890  -3.156  -9.806
   72    H    GLY  10           HN       GLY  10   0.332   2.662 -11.507
   73   1HA   GLY  10           HA2      GLY  10   0.002   4.274 -13.404
   74   2HA   GLY  10           HA3      GLY  10  -1.413   4.854 -12.506
   75    H    THR  11           HN       THR  11  -0.062   4.307  -9.873
   76    HA   THR  11           HA       THR  11   1.102   5.424  -8.322
   77    HB   THR  11           HB       THR  11   3.323   5.098 -10.369
   78    HG1  THR  11           HOG      THR  11   2.334   3.123 -10.137
   79   1HG2  THR  11           HG2      THR  11   3.289   5.091  -7.303
   80   2HG2  THR  11           HG3      THR  11   4.702   4.800  -8.339
   81   3HG2  THR  11           HG1      THR  11   3.949   6.399  -8.305
   82    H    LYS  12           HN       LYS  12   0.032   7.384  -8.306
   83    HA   LYS  12           HA       LYS  12   0.799   9.538 -10.083
   84   1HB   LYS  12           HB2      LYS  12  -0.972  10.794  -8.980
   85   2HB   LYS  12           HB3      LYS  12  -1.470   9.168  -9.429
   86   1HG   LYS  12           HG2      LYS  12  -2.392   9.337  -7.379
   87   2HG   LYS  12           HG3      LYS  12  -0.900   8.508  -6.942
   88   1HD   LYS  12           HD2      LYS  12   0.084  10.761  -6.245
   89   2HD   LYS  12           HD3      LYS  12  -1.429  11.522  -6.752
   90   1HE   LYS  12           HE2      LYS  12  -1.826  11.215  -4.470
   91   2HE   LYS  12           HE3      LYS  12  -2.540   9.756  -5.178
   92   1HZ   LYS  12           HNZ2     LYS  12  -0.478   8.574  -4.585
   93   2HZ   LYS  12           HNZ3     LYS  12   0.114   9.991  -3.970
   94   3HZ   LYS  12           HNZ1     LYS  12  -1.157   9.258  -3.275
   95    H    ASP  13           HN       ASP  13   0.920  11.807  -8.928
   96    HA   ASP  13           HA       ASP  13   3.615  12.120  -8.343
   97   1HB   ASP  13           HB2      ASP  13   2.814  14.526  -7.908
   98   2HB   ASP  13           HB3      ASP  13   2.403  13.802  -9.469
   99    H    ALA  14           HN       ALA  14   1.421  13.729  -6.036
  100    HA   ALA  14           HA       ALA  14   3.327  13.550  -3.936
  101   1HB   ALA  14           HB3      ALA  14   0.322  14.083  -3.843
  102   2HB   ALA  14           HB1      ALA  14   1.478  14.429  -2.538
  103   3HB   ALA  14           HB2      ALA  14   1.596  15.298  -4.085
  104    H    SER  15           HN       SER  15   3.859  11.702  -2.766
  105    HA   SER  15           HA       SER  15   1.965   9.383  -3.113
  106   1HB   SER  15           HB2      SER  15   4.967   9.541  -3.347
  107   2HB   SER  15           HB3      SER  15   4.062   8.012  -3.165
  108    HG   SER  15           HOG      SER  15   3.715   9.936  -5.231
  109    H    CYS  16           HN       CYS  16   1.627   7.987  -1.602
  110    HA   CYS  16           HA       CYS  16   1.492   8.330   1.058
  111   1HB   CYS  16           HB2      CYS  16   1.643   5.844   1.175
  112   2HB   CYS  16           HB3      CYS  16   0.435   6.509   0.097
  113    H    VAL  17           HN       VAL  17   4.402   7.109  -0.615
  114    HA   VAL  17           HA       VAL  17   6.070   6.486   1.445
  115    HB   VAL  17           HB       VAL  17   6.656   6.438  -0.960
  116   1HG1  VAL  17           HG13     VAL  17   5.936   8.822  -1.468
  117   2HG1  VAL  17           HG11     VAL  17   7.447   9.365  -0.719
  118   3HG1  VAL  17           HG12     VAL  17   7.495   8.329  -2.152
  119   1HG2  VAL  17           HG23     VAL  17   8.397   6.132   0.786
  120   2HG2  VAL  17           HG21     VAL  17   9.041   6.870  -0.692
  121   3HG2  VAL  17           HG22     VAL  17   8.744   7.871   0.740
  122    H    GLU  18           HN       GLU  18   5.230   9.862   0.573
  123    HA   GLU  18           HA       GLU  18   7.241  11.116   2.119
  124   1HB   GLU  18           HB2      GLU  18   4.472  12.045   1.257
  125   2HB   GLU  18           HB3      GLU  18   5.716  13.112   1.921
  126   1HG   GLU  18           HG2      GLU  18   7.164  12.779   0.049
  127   2HG   GLU  18           HG3      GLU  18   6.220  11.408  -0.554
  128    H    VAL  19           HN       VAL  19   4.244   9.580   3.177
  129    HA   VAL  19           HA       VAL  19   4.191  11.291   5.614
  130    HB   VAL  19           HB       VAL  19   1.944  10.984   5.750
  131   1HG1  VAL  19           HG12     VAL  19   2.658  12.324   3.761
  132   2HG1  VAL  19           HG13     VAL  19   2.403  10.892   2.738
  133   3HG1  VAL  19           HG11     VAL  19   1.042  11.615   3.606
  134   1HG2  VAL  19           HG21     VAL  19   2.183   8.491   4.049
  135   2HG2  VAL  19           HG22     VAL  19   1.556   8.657   5.688
  136   3HG2  VAL  19           HG23     VAL  19   0.654   9.330   4.322
  137    H    CYS  20           HN       CYS  20   4.952   8.000   4.705
  138    HA   CYS  20           HA       CYS  20   3.784   6.811   6.964
  139   1HB   CYS  20           HB2      CYS  20   4.112   5.616   4.936
  140   2HB   CYS  20           HB3      CYS  20   5.861   5.802   5.094
  141    HA   PRO  21           HA       PRO  21   6.786   8.030  10.067
  142   1HB   PRO  21           HB2      PRO  21   5.709   5.628  11.531
  143   2HB   PRO  21           HB3      PRO  21   5.950   7.291  12.128
  144   1HG   PRO  21           HG2      PRO  21   3.475   6.309  11.427
  145   2HG   PRO  21           HG3      PRO  21   3.930   8.016  11.151
  146   1HD   PRO  21           HD2      PRO  21   3.757   5.778   9.176
  147   2HD   PRO  21           HD3      PRO  21   3.442   7.530   8.979
  148    H    VAL  22           HN       VAL  22   6.444   4.632   9.027
  149    HA   VAL  22           HA       VAL  22   9.204   4.011   9.979
  150    HB   VAL  22           HB       VAL  22   8.529   1.656   9.684
  151   1HG1  VAL  22           HG12     VAL  22   8.368   2.832  11.866
  152   2HG1  VAL  22           HG13     VAL  22   6.666   3.211  11.520
  153   3HG1  VAL  22           HG11     VAL  22   7.194   1.522  11.683
  154   1HG2  VAL  22           HG21     VAL  22   6.713   1.948   8.000
  155   2HG2  VAL  22           HG22     VAL  22   6.173   1.041   9.423
  156   3HG2  VAL  22           HG23     VAL  22   5.712   2.734   9.239
  157    H    ASP  23           HN       ASP  23   8.011   5.347   7.281
  158    HA   ASP  23           HA       ASP  23   8.303   5.119   5.049
  159   1HB   ASP  23           HB2      ASP  23  10.072   6.490   5.813
  160   2HB   ASP  23           HB3      ASP  23  11.027   5.007   5.963
  161    H    CYS  24           HN       CYS  24   7.241   2.884   5.227
  162    HA   CYS  24           HA       CYS  24   9.111   0.762   4.229
  163   1HB   CYS  24           HB2      CYS  24   7.752  -0.873   5.156
  164   2HB   CYS  24           HB3      CYS  24   8.022   0.325   6.432
  165    HG   CYS  24           HSG      CYS  24   5.492  -0.983   5.885
  166    H    ILE  25           HN       ILE  25   7.649   2.970   2.748
  167    HA   ILE  25           HA       ILE  25   5.950   1.391   0.906
  168    HB   ILE  25           HB       ILE  25   6.640   4.338   1.065
  169   1HG1  ILE  25           HG12     ILE  25   4.212   4.658   1.218
  170   2HG1  ILE  25           HG13     ILE  25   3.931   2.928   1.069
  171   1HG2  ILE  25           HG21     ILE  25   5.130   2.821  -1.110
  172   2HG2  ILE  25           HG22     ILE  25   5.115   4.581  -0.932
  173   3HG2  ILE  25           HG23     ILE  25   6.626   3.759  -1.317
  174   1HD1  ILE  25           HD2      ILE  25   5.472   4.210   3.353
  175   2HD1  ILE  25           HD3      ILE  25   3.719   3.901   3.389
  176   3HD1  ILE  25           HD1      ILE  25   4.840   2.543   3.297
  177    H    HIS  26           HN       HIS  26   6.933   0.433  -0.830
  178    HA   HIS  26           HA       HIS  26   9.655   1.318  -1.674
  179   1HB   HIS  26           HB2      HIS  26   8.503  -1.412  -1.107
  180   2HB   HIS  26           HB3      HIS  26  10.089  -1.121  -1.806
  181    HD1  HIS  26           HND      HIS  26  11.261   0.998   0.207
  182    HD2  HIS  26           HD       HIS  26   8.718  -2.147   1.348
  183    HE1  HIS  26           HE       HIS  26  11.622   0.642   2.705
  184    H    GLU  27           HN       GLU  27  10.096   0.454  -3.938
  185    HA   GLU  27           HA       GLU  27   7.642   0.990  -5.427
  186   1HB   GLU  27           HB2      GLU  27  10.465   0.661  -6.527
  187   2HB   GLU  27           HB3      GLU  27   9.100   1.517  -7.255
  188   1HG   GLU  27           HG2      GLU  27   9.181   3.140  -5.298
  189   2HG   GLU  27           HG3      GLU  27  10.668   2.344  -4.760
  190    H    GLY  28           HN       GLY  28   6.991  -0.161  -7.301
  191   1HA   GLY  28           HA2      GLY  28   7.964  -2.977  -7.613
  192   2HA   GLY  28           HA3      GLY  28   6.264  -2.504  -7.763
  193    H    GLU  29           HN       GLU  29   6.340  -3.364  -9.908
  194    HA   GLU  29           HA       GLU  29   7.999  -2.567 -11.975
  195   1HB   GLU  29           HB2      GLU  29   5.044  -3.404 -12.050
  196   2HB   GLU  29           HB3      GLU  29   6.208  -3.443 -13.371
  197   1HG   GLU  29           HG2      GLU  29   6.388  -5.612 -12.730
  198   2HG   GLU  29           HG3      GLU  29   7.592  -4.964 -11.615
  199    H    ASP  30           HN       ASP  30   4.625  -1.455 -11.597
  200    HA   ASP  30           HA       ASP  30   5.425   1.388 -12.017
  201   1HB   ASP  30           HB2      ASP  30   3.839   0.682 -13.688
  202   2HB   ASP  30           HB3      ASP  30   2.762  -0.068 -12.540
  203    H    GLN  31           HN       GLN  31   2.839  -0.515 -10.622
  204    HA   GLN  31           HA       GLN  31   2.008   0.863  -8.525
  205   1HB   GLN  31           HB2      GLN  31   1.193  -1.285  -9.448
  206   2HB   GLN  31           HB3      GLN  31   2.431  -2.141  -8.546
  207   1HG   GLN  31           HG2      GLN  31   1.457  -1.542  -6.467
  208   2HG   GLN  31           HG3      GLN  31   0.411  -0.315  -7.163
  209   1HE2  GLN  31           HNE2     GLN  31  -0.668  -4.156  -8.209
  210   2HE2  GLN  31           HNE1     GLN  31   0.928  -3.540  -8.614
  211    H    TYR  32           HN       TYR  32   3.109   1.827  -6.865
  212    HA   TYR  32           HA       TYR  32   5.430   0.578  -5.602
  213   1HB   TYR  32           HB2      TYR  32   3.513   2.756  -4.669
  214   2HB   TYR  32           HB3      TYR  32   4.894   2.131  -3.761
  215    HD1  TYR  32           HD2      TYR  32   6.016   2.206  -7.142
  216    HD2  TYR  32           HD1      TYR  32   5.057   4.804  -3.822
  217    HE1  TYR  32           HE2      TYR  32   7.705   3.811  -7.906
  218    HE2  TYR  32           HE1      TYR  32   6.737   6.436  -4.641
  219    HH   TYR  32           HOH      TYR  32   9.128   5.533  -6.972
  220    H    TYR  33           HN       TYR  33   5.425  -0.208  -3.465
  221    HA   TYR  33           HA       TYR  33   2.927  -1.599  -2.572
  222   1HB   TYR  33           HB2      TYR  33   5.810  -2.612  -2.572
  223   2HB   TYR  33           HB3      TYR  33   4.467  -3.523  -1.968
  224    HD1  TYR  33           HD1      TYR  33   2.386  -3.022  -4.011
  225    HD2  TYR  33           HD2      TYR  33   6.578  -3.766  -4.548
  226    HE1  TYR  33           HE1      TYR  33   1.916  -3.880  -6.239
  227    HE2  TYR  33           HE2      TYR  33   6.111  -4.588  -6.827
  228    HH   TYR  33           HOH      TYR  33   4.504  -4.632  -8.510
  229    H    ILE  34           HN       ILE  34   3.435  -2.497  -0.301
  230    HA   ILE  34           HA       ILE  34   4.955  -0.586   1.405
  231    HB   ILE  34           HB       ILE  34   2.075  -1.553   1.723
  232   1HG1  ILE  34           HG12     ILE  34   2.777   1.320   2.096
  233   2HG1  ILE  34           HG13     ILE  34   2.942   0.730   0.441
  234   1HG2  ILE  34           HG23     ILE  34   3.778  -0.076   3.759
  235   2HG2  ILE  34           HG21     ILE  34   2.033  -0.314   3.895
  236   3HG2  ILE  34           HG22     ILE  34   3.102  -1.703   3.964
  237   1HD1  ILE  34           HD2      ILE  34   0.616  -0.135   0.510
  238   2HD1  ILE  34           HD3      ILE  34   0.430   0.576   2.135
  239   3HD1  ILE  34           HD1      ILE  34   0.751   1.620   0.730
  240    H    ASP  35           HN       ASP  35   6.236  -1.840   2.885
  241    HA   ASP  35           HA       ASP  35   5.890  -4.695   2.931
  242   1HB   ASP  35           HB2      ASP  35   8.080  -3.726   3.394
  243   2HB   ASP  35           HB3      ASP  35   7.442  -2.999   4.875
  244    HA   PRO  36           HA       PRO  36   2.523  -4.004   5.866
  245   1HB   PRO  36           HB2      PRO  36   1.068  -6.240   5.508
  246   2HB   PRO  36           HB3      PRO  36   1.335  -5.114   4.144
  247   1HG   PRO  36           HG2      PRO  36   2.829  -7.671   4.769
  248   2HG   PRO  36           HG3      PRO  36   2.143  -7.162   3.196
  249   1HD   PRO  36           HD2      PRO  36   4.807  -6.766   4.000
  250   2HD   PRO  36           HD3      PRO  36   3.960  -5.811   2.762
  251    H    ASP  37           HN       ASP  37   5.260  -6.068   6.404
  252    HA   ASP  37           HA       ASP  37   4.185  -7.227   8.867
  253   1HB   ASP  37           HB2      ASP  37   6.418  -7.622   7.034
  254   2HB   ASP  37           HB3      ASP  37   6.655  -8.000   8.706
  255    H    VAL  38           HN       VAL  38   6.309  -4.760   7.450
  256    HA   VAL  38           HA       VAL  38   7.333  -3.776   9.985
  257    HB   VAL  38           HB       VAL  38   7.314  -2.760   7.126
  258   1HG1  VAL  38           HG11     VAL  38   8.435  -1.425   9.610
  259   2HG1  VAL  38           HG12     VAL  38   8.994  -1.055   7.968
  260   3HG1  VAL  38           HG13     VAL  38   7.296  -0.769   8.402
  261   1HG2  VAL  38           HG22     VAL  38   8.794  -4.716   7.681
  262   2HG2  VAL  38           HG23     VAL  38   9.702  -3.273   7.207
  263   3HG2  VAL  38           HG21     VAL  38   9.585  -3.725   8.922
  264    H    CYS  39           HN       CYS  39   4.732  -2.743   7.683
  265    HA   CYS  39           HA       CYS  39   4.135  -0.285   8.793
  266   1HB   CYS  39           HB2      CYS  39   3.084  -1.159   6.777
  267   2HB   CYS  39           HB3      CYS  39   2.280  -2.364   7.750
  268    H    ILE  40           HN       ILE  40   3.477   0.419  10.716
  269    HA   ILE  40           HA       ILE  40   2.967  -1.468  12.860
  270    HB   ILE  40           HB       ILE  40   3.073   0.521  14.264
  271   1HG1  ILE  40           HG12     ILE  40   4.073   2.366  12.186
  272   2HG1  ILE  40           HG13     ILE  40   2.374   1.962  11.916
  273   1HG2  ILE  40           HG23     ILE  40   5.093  -0.706  13.727
  274   2HG2  ILE  40           HG21     ILE  40   5.331   0.254  12.256
  275   3HG2  ILE  40           HG22     ILE  40   5.438   1.028  13.853
  276   1HD1  ILE  40           HD2      ILE  40   3.466   2.950  14.565
  277   2HD1  ILE  40           HD3      ILE  40   2.613   3.935  13.354
  278   3HD1  ILE  40           HD1      ILE  40   1.766   2.587  14.149
  279    H    ASP  41           HN       ASP  41   0.796  -0.461  10.703
  280    HA   ASP  41           HA       ASP  41  -1.415  -0.118  10.564
  281   1HB   ASP  41           HB2      ASP  41  -1.402  -1.593  13.210
  282   2HB   ASP  41           HB3      ASP  41  -2.864  -0.830  12.588
  283    H    CYS  42           HN       CYS  42  -1.214   2.020  10.334
  284    HA   CYS  42           HA       CYS  42  -1.972   3.674  12.660
  285   1HB   CYS  42           HB2      CYS  42  -0.304   5.118  12.494
  286   2HB   CYS  42           HB3      CYS  42   0.546   3.619  12.195
  287    H    GLY  43           HN       GLY  43  -1.745   6.059  10.834
  288   1HA   GLY  43           HA2      GLY  43  -3.469   5.516   8.594
  289   2HA   GLY  43           HA3      GLY  43  -4.245   6.523   9.845
  290    H    ALA  44           HN       ALA  44  -3.750   7.662   7.468
  291    HA   ALA  44           HA       ALA  44  -2.958   9.977   7.190
  292   1HB   ALA  44           HB1      ALA  44  -0.208   8.717   7.624
  293   2HB   ALA  44           HB2      ALA  44  -0.526  10.356   7.035
  294   3HB   ALA  44           HB3      ALA  44  -0.999   9.920   8.677
  295    H    CYS  45           HN       CYS  45  -1.335   6.944   6.230
  296    HA   CYS  45           HA       CYS  45  -0.846   7.724   3.535
  297   1HB   CYS  45           HB2      CYS  45  -0.101   5.463   3.250
  298   2HB   CYS  45           HB3      CYS  45   0.497   6.179   4.735
  299    H    GLU  46           HN       GLU  46  -3.524   5.898   5.061
  300    HA   GLU  46           HA       GLU  46  -4.811   5.226   2.550
  301   1HB   GLU  46           HB2      GLU  46  -6.858   5.126   4.275
  302   2HB   GLU  46           HB3      GLU  46  -5.695   3.833   4.037
  303   1HG   GLU  46           HG2      GLU  46  -6.158   4.128   6.385
  304   2HG   GLU  46           HG3      GLU  46  -4.465   4.482   6.079
  305    H    ALA  47           HN       ALA  47  -5.116   7.883   4.896
  306    HA   ALA  47           HA       ALA  47  -7.252   9.235   3.633
  307   1HB   ALA  47           HB1      ALA  47  -6.422   9.753   5.900
  308   2HB   ALA  47           HB2      ALA  47  -4.947  10.461   5.207
  309   3HB   ALA  47           HB3      ALA  47  -6.526  11.206   4.883
  310    H    VAL  48           HN       VAL  48  -3.673   9.731   3.150
  311    HA   VAL  48           HA       VAL  48  -4.100  11.692   1.173
  312    HB   VAL  48           HB       VAL  48  -2.083  11.056   2.748
  313   1HG1  VAL  48           HG11     VAL  48  -1.467   8.944   1.529
  314   2HG1  VAL  48           HG12     VAL  48  -1.079   9.922   0.100
  315   3HG1  VAL  48           HG13     VAL  48  -0.169  10.141   1.606
  316   1HG2  VAL  48           HG23     VAL  48  -2.392  13.101   1.604
  317   2HG2  VAL  48           HG21     VAL  48  -0.706  12.568   1.455
  318   3HG2  VAL  48           HG22     VAL  48  -1.817  12.398   0.066
  319    H    CYS  49           HN       CYS  49  -4.003   8.166   0.931
  320    HA   CYS  49           HA       CYS  49  -3.357   8.101  -1.838
  321   1HB   CYS  49           HB2      CYS  49  -3.028   6.266  -0.193
  322   2HB   CYS  49           HB3      CYS  49  -4.764   6.063  -0.146
  323    HA   PRO  50           HA       PRO  50  -7.333   9.386  -3.390
  324   1HB   PRO  50           HB2      PRO  50  -7.275   8.330  -5.970
  325   2HB   PRO  50           HB3      PRO  50  -6.472   9.835  -5.441
  326   1HG   PRO  50           HG2      PRO  50  -5.274   7.074  -5.704
  327   2HG   PRO  50           HG3      PRO  50  -4.580   8.633  -6.235
  328   1HD   PRO  50           HD2      PRO  50  -3.805   7.476  -3.928
  329   2HD   PRO  50           HD3      PRO  50  -4.092   9.247  -3.929
  330    H    VAL  51           HN       VAL  51  -9.110   8.500  -2.629
  331    HA   VAL  51           HA       VAL  51 -10.732   7.081  -2.052
  332    HB   VAL  51           HB       VAL  51 -10.064   5.273  -4.389
  333   1HG1  VAL  51           HG13     VAL  51 -12.050   4.809  -2.769
  334   2HG1  VAL  51           HG11     VAL  51 -12.772   6.282  -3.425
  335   3HG1  VAL  51           HG12     VAL  51 -12.421   4.907  -4.491
  336   1HG2  VAL  51           HG22     VAL  51 -11.393   8.017  -4.525
  337   2HG2  VAL  51           HG23     VAL  51  -9.935   7.496  -5.398
  338   3HG2  VAL  51           HG21     VAL  51 -11.496   6.791  -5.803
  339    H    SER  52           HN       SER  52  -7.884   6.663  -1.106
  340    HA   SER  52           HA       SER  52  -6.713   5.221   0.169
  341   1HB   SER  52           HB2      SER  52  -8.728   5.551   1.491
  342   2HB   SER  52           HB3      SER  52  -9.425   4.060   0.810
  343    HG   SER  52           HOG      SER  52  -7.435   3.034   1.686
  344    H    ALA  53           HN       ALA  53  -6.370   4.452  -2.425
  345    HA   ALA  53           HA       ALA  53  -7.051   1.763  -3.039
  346   1HB   ALA  53           HB1      ALA  53  -5.919   3.368  -4.621
  347   2HB   ALA  53           HB2      ALA  53  -4.404   3.105  -3.730
  348   3HB   ALA  53           HB3      ALA  53  -5.176   1.753  -4.548
  349    H    ILE  54           HN       ILE  54  -4.606   3.130  -0.887
  350    HA   ILE  54           HA       ILE  54  -3.512   0.636   0.065
  351    HB   ILE  54           HB       ILE  54  -3.817   3.416   1.267
  352   1HG1  ILE  54           HG12     ILE  54  -1.444   1.875   0.118
  353   2HG1  ILE  54           HG13     ILE  54  -2.328   3.178  -0.676
  354   1HG2  ILE  54           HG23     ILE  54  -2.328   1.001   2.382
  355   2HG2  ILE  54           HG21     ILE  54  -2.250   2.656   3.035
  356   3HG2  ILE  54           HG22     ILE  54  -3.769   1.786   3.086
  357   1HD1  ILE  54           HD2      ILE  54  -1.673   4.737   1.171
  358   2HD1  ILE  54           HD3      ILE  54  -0.608   3.461   1.813
  359   3HD1  ILE  54           HD1      ILE  54  -0.321   4.118   0.203
  360    H    TYR  55           HN       TYR  55  -4.851  -0.941   0.835
  361    HA   TYR  55           HA       TYR  55  -7.076  -0.213   2.664
  362   1HB   TYR  55           HB2      TYR  55  -6.995  -2.195   0.436
  363   2HB   TYR  55           HB3      TYR  55  -8.209  -2.283   1.714
  364    HD1  TYR  55           HD1      TYR  55  -9.301   0.314   2.104
  365    HD2  TYR  55           HD2      TYR  55  -8.046  -1.581  -1.555
  366    HE1  TYR  55           HE1      TYR  55 -10.852   1.753   0.822
  367    HE2  TYR  55           HE2      TYR  55  -9.575  -0.121  -2.838
  368    HH   TYR  55           HOH      TYR  55 -10.709   2.728  -1.708
  369    H    HIS  56           HN       HIS  56  -7.488  -1.663   4.322
  370    HA   HIS  56           HA       HIS  56  -5.129  -3.052   5.268
  371   1HB   HIS  56           HB2      HIS  56  -6.856  -1.778   6.635
  372   2HB   HIS  56           HB3      HIS  56  -7.995  -3.091   6.330
  373    HD1  HIS  56           HND      HIS  56  -7.757  -5.158   8.024
  374    HD2  HIS  56           HD       HIS  56  -4.522  -2.473   7.985
  375    HE1  HIS  56           HE       HIS  56  -6.077  -6.023   9.730
  376    H    GLU  57           HN       GLU  57  -4.864  -5.306   5.438
  377    HA   GLU  57           HA       GLU  57  -5.574  -7.108   3.527
  378   1HB   GLU  57           HB2      GLU  57  -3.957  -7.822   4.945
  379   2HB   GLU  57           HB3      GLU  57  -4.807  -7.313   6.408
  380   1HG   GLU  57           HG2      GLU  57  -4.532  -9.731   6.273
  381   2HG   GLU  57           HG3      GLU  57  -6.221  -9.244   6.385
  382    H    ASP  58           HN       ASP  58  -7.483  -6.335   6.341
  383    HA   ASP  58           HA       ASP  58  -9.518  -8.321   6.205
  384   1HB   ASP  58           HB2      ASP  58  -9.023  -6.949   8.210
  385   2HB   ASP  58           HB3      ASP  58  -9.596  -5.489   7.354
  386    H    PHE  59           HN       PHE  59  -9.405  -4.903   4.992
  387    HA   PHE  59           HA       PHE  59 -11.979  -4.918   3.769
  388   1HB   PHE  59           HB2      PHE  59  -9.492  -3.220   3.423
  389   2HB   PHE  59           HB3      PHE  59 -11.109  -2.820   2.924
  390    HD1  PHE  59           HD1      PHE  59 -11.871  -4.151   6.016
  391    HD2  PHE  59           HD2      PHE  59  -9.817  -0.765   4.281
  392    HE1  PHE  59           HE1      PHE  59 -11.958  -3.005   8.165
  393    HE2  PHE  59           HE2      PHE  59  -9.982   0.424   6.448
  394    HZ   PHE  59           HZ       PHE  59 -11.024  -0.699   8.409
  395    H    VAL  60           HN       VAL  60  -8.660  -5.759   2.881
  396    HA   VAL  60           HA       VAL  60  -8.935  -5.377   0.091
  397    HB   VAL  60           HB       VAL  60  -6.976  -6.777   1.864
  398   1HG1  VAL  60           HG12     VAL  60  -6.954  -7.058  -1.165
  399   2HG1  VAL  60           HG13     VAL  60  -5.583  -7.360  -0.093
  400   3HG1  VAL  60           HG11     VAL  60  -7.012  -8.385   0.015
  401   1HG2  VAL  60           HG21     VAL  60  -7.074  -4.313   1.311
  402   2HG2  VAL  60           HG22     VAL  60  -5.552  -5.069   0.831
  403   3HG2  VAL  60           HG23     VAL  60  -6.827  -4.800  -0.389
  404    HA   PRO  61           HA       PRO  61 -11.513  -8.936  -0.744
  405   1HB   PRO  61           HB2      PRO  61 -11.279  -8.947  -3.525
  406   2HB   PRO  61           HB3      PRO  61 -12.391  -7.923  -2.596
  407   1HG   PRO  61           HG2      PRO  61  -9.759  -7.205  -3.843
  408   2HG   PRO  61           HG3      PRO  61 -11.210  -6.186  -3.652
  409   1HD   PRO  61           HD2      PRO  61  -8.939  -6.059  -2.034
  410   2HD   PRO  61           HD3      PRO  61 -10.557  -5.528  -1.508
  411    H    GLU  62           HN       GLU  62 -11.127 -11.164  -1.106
  412    HA   GLU  62           HA       GLU  62  -8.795 -12.332  -0.805
  413   1HB   GLU  62           HB2      GLU  62 -11.511 -12.946  -1.950
  414   2HB   GLU  62           HB3      GLU  62 -10.248 -14.101  -2.160
  415   1HG   GLU  62           HG2      GLU  62 -11.605 -14.392  -0.001
  416   2HG   GLU  62           HG3      GLU  62  -9.867 -14.219   0.287
  417    H    GLU  63           HN       GLU  63 -10.199 -11.436  -3.898
  418    HA   GLU  63           HA       GLU  63  -8.410 -12.398  -5.797
  419   1HB   GLU  63           HB2      GLU  63 -10.439 -10.828  -5.913
  420   2HB   GLU  63           HB3      GLU  63  -9.244  -9.520  -5.933
  421   1HG   GLU  63           HG2      GLU  63  -9.597 -11.831  -7.903
  422   2HG   GLU  63           HG3      GLU  63 -10.022 -10.136  -8.164
  423    H    TRP  64           HN       TRP  64  -8.092  -9.413  -3.829
  424    HA   TRP  64           HA       TRP  64  -5.290  -9.005  -4.702
  425   1HB   TRP  64           HB2      TRP  64  -7.303  -7.169  -3.403
  426   2HB   TRP  64           HB3      TRP  64  -5.663  -6.716  -3.828
  427    HD1  TRP  64           HD       TRP  64  -6.093  -8.686  -6.641
  428    HE1  TRP  64           HNE      TRP  64  -7.459  -7.906  -8.523
  429    HE3  TRP  64           HE       TRP  64  -8.397  -4.706  -4.325
  430    HZ2  TRP  64           HZ1      TRP  64  -9.185  -5.639  -9.151
  431    HZ3  TRP  64           HZ2      TRP  64  -9.782  -3.160  -5.695
  432    HH2  TRP  64           HH       TRP  64 -10.243  -3.660  -8.076
  433    H    LYS  65           HN       LYS  65  -6.689 -10.625  -2.177
  434    HA   LYS  65           HA       LYS  65  -4.659 -10.302  -0.225
  435   1HB   LYS  65           HB2      LYS  65  -6.645 -12.213  -0.754
  436   2HB   LYS  65           HB3      LYS  65  -5.174 -13.124  -0.978
  437   1HG   LYS  65           HG2      LYS  65  -5.175 -13.427   1.240
  438   2HG   LYS  65           HG3      LYS  65  -4.747 -11.732   1.457
  439   1HD   LYS  65           HD2      LYS  65  -7.581 -12.896   1.346
  440   2HD   LYS  65           HD3      LYS  65  -6.693 -12.375   2.778
  441   1HE   LYS  65           HE2      LYS  65  -6.572 -10.037   1.719
  442   2HE   LYS  65           HE3      LYS  65  -7.737 -10.613   0.508
  443   1HZ   LYS  65           HNZ2     LYS  65  -9.222 -11.140   2.366
  444   2HZ   LYS  65           HNZ3     LYS  65  -8.080 -10.457   3.407
  445   3HZ   LYS  65           HNZ1     LYS  65  -8.852  -9.525   2.271
  446    H    SER  66           HN       SER  66  -4.615 -11.752  -3.490
  447    HA   SER  66           HA       SER  66  -2.061 -12.832  -3.606
  448   1HB   SER  66           HB2      SER  66  -3.444 -11.183  -5.773
  449   2HB   SER  66           HB3      SER  66  -2.190 -12.418  -5.992
  450    HG   SER  66           HOG      SER  66  -4.892 -12.688  -5.483
  451    H    TYR  67           HN       TYR  67  -2.999  -9.337  -3.912
  452    HA   TYR  67           HA       TYR  67  -0.283  -8.518  -4.547
  453   1HB   TYR  67           HB2      TYR  67  -2.790  -7.031  -3.614
  454   2HB   TYR  67           HB3      TYR  67  -1.230  -6.251  -3.655
  455    HD1  TYR  67           HD2      TYR  67   0.084  -6.815  -6.072
  456    HD2  TYR  67           HD1      TYR  67  -4.163  -6.468  -5.444
  457    HE1  TYR  67           HE2      TYR  67  -0.254  -6.421  -8.497
  458    HE2  TYR  67           HE1      TYR  67  -4.482  -6.003  -7.852
  459    HH   TYR  67           HOH      TYR  67  -3.408  -5.460  -9.850
  460    H    ILE  68           HN       ILE  68  -2.237  -8.785  -1.513
  461    HA   ILE  68           HA       ILE  68  -0.368  -7.349   0.000
  462    HB   ILE  68           HB       ILE  68  -2.459  -9.492   0.556
  463   1HG1  ILE  68           HG12     ILE  68  -3.890  -7.905   1.225
  464   2HG1  ILE  68           HG13     ILE  68  -2.658  -6.861   1.895
  465   1HG2  ILE  68           HG23     ILE  68  -0.779  -9.847   2.304
  466   2HG2  ILE  68           HG21     ILE  68  -0.889  -8.131   2.756
  467   3HG2  ILE  68           HG22     ILE  68  -2.295  -9.207   2.942
  468   1HD1  ILE  68           HD2      ILE  68  -2.064  -6.055  -0.416
  469   2HD1  ILE  68           HD3      ILE  68  -3.385  -7.043  -1.046
  470   3HD1  ILE  68           HD1      ILE  68  -3.713  -5.721   0.047
  471    H    GLN  69           HN       GLN  69  -0.726 -10.823  -0.695
  472    HA   GLN  69           HA       GLN  69   1.665 -11.682   0.610
  473   1HB   GLN  69           HB2      GLN  69  -0.263 -12.781  -1.408
  474   2HB   GLN  69           HB3      GLN  69   1.335 -13.509  -1.331
  475   1HG   GLN  69           HG2      GLN  69  -0.402 -14.579   0.190
  476   2HG   GLN  69           HG3      GLN  69   1.132 -14.126   0.931
  477   1HE2  GLN  69           HNE2     GLN  69  -2.200 -11.884   1.964
  478   2HE2  GLN  69           HNE1     GLN  69  -2.045 -12.417   0.301
  479    H    LYS  70           HN       LYS  70   1.120 -10.411  -2.722
  480    HA   LYS  70           HA       LYS  70   3.776 -10.776  -3.584
  481   1HB   LYS  70           HB2      LYS  70   1.691  -9.960  -4.950
  482   2HB   LYS  70           HB3      LYS  70   2.062  -8.369  -4.298
  483   1HG   LYS  70           HG2      LYS  70   4.343  -8.456  -5.271
  484   2HG   LYS  70           HG3      LYS  70   3.941 -10.006  -6.030
  485   1HD   LYS  70           HD2      LYS  70   2.020  -8.859  -7.204
  486   2HD   LYS  70           HD3      LYS  70   2.534  -7.326  -6.457
  487   1HE   LYS  70           HE2      LYS  70   4.792  -7.608  -7.546
  488   2HE   LYS  70           HE3      LYS  70   4.174  -9.040  -8.394
  489   1HZ   LYS  70           HNZ2     LYS  70   2.537  -7.525  -9.436
  490   2HZ   LYS  70           HNZ3     LYS  70   3.266  -6.250  -8.656
  491   3HZ   LYS  70           HNZ1     LYS  70   4.094  -7.110  -9.755
  492    H    ASN  71           HN       ASN  71   2.371  -7.887  -1.902
  493    HA   ASN  71           HA       ASN  71   4.746  -6.360  -1.814
  494   1HB   ASN  71           HB2      ASN  71   2.356  -6.657   0.079
  495   2HB   ASN  71           HB3      ASN  71   3.655  -5.514   0.358
  496   1HD2  ASN  71           HND2     ASN  71   1.466  -4.706  -3.029
  497   2HD2  ASN  71           HND1     ASN  71   1.779  -6.379  -2.652
  498    H    ARG  72           HN       ARG  72   3.490  -8.864   0.419
  499    HA   ARG  72           HA       ARG  72   5.718  -8.844   2.180
  500   1HB   ARG  72           HB2      ARG  72   3.420 -10.544   1.587
  501   2HB   ARG  72           HB3      ARG  72   4.842 -11.556   1.825
  502   1HG   ARG  72           HG2      ARG  72   5.273 -10.567   3.992
  503   2HG   ARG  72           HG3      ARG  72   4.079  -9.294   3.700
  504   1HD   ARG  72           HD2      ARG  72   2.284 -10.973   3.588
  505   2HD   ARG  72           HD3      ARG  72   3.446 -12.251   4.020
  506    HE   ARG  72           HNE      ARG  72   3.971 -10.585   6.007
  507   1HH1  ARG  72           HN22     ARG  72   0.737 -11.402   4.784
  508   2HH1  ARG  72           HN21     ARG  72  -0.086 -10.822   6.198
  509   1HH2  ARG  72           HN12     ARG  72   2.941 -10.017   7.922
  510   2HH2  ARG  72           HN11     ARG  72   1.208  -9.999   8.053
  511    H    ASP  73           HN       ASP  73   5.190 -10.736  -0.838
  512    HA   ASP  73           HA       ASP  73   7.505 -12.284  -0.682
  513   1HB   ASP  73           HB2      ASP  73   5.426 -12.252  -2.358
  514   2HB   ASP  73           HB3      ASP  73   6.524 -11.354  -3.374
  515    H    PHE  74           HN       PHE  74   6.949  -9.186  -2.121
  516    HA   PHE  74           HA       PHE  74   9.388  -8.672  -3.410
  517   1HB   PHE  74           HB2      PHE  74   7.153  -7.082  -2.324
  518   2HB   PHE  74           HB3      PHE  74   8.666  -6.242  -2.226
  519    HD1  PHE  74           HD2      PHE  74   6.902  -8.499  -4.671
  520    HD2  PHE  74           HD1      PHE  74   9.282  -4.944  -4.115
  521    HE1  PHE  74           HE2      PHE  74   7.014  -8.172  -7.134
  522    HE2  PHE  74           HE1      PHE  74   9.304  -4.572  -6.549
  523    HZ   PHE  74           HZ       PHE  74   8.095  -6.152  -8.071
  524    H    PHE  75           HN       PHE  75   8.709  -8.448   0.105
  525    HA   PHE  75           HA       PHE  75  11.609  -7.886   0.575
  526   1HB   PHE  75           HB2      PHE  75   9.305  -7.502   2.494
  527   2HB   PHE  75           HB3      PHE  75  10.915  -6.830   2.571
  528    HD1  PHE  75           HD1      PHE  75  11.540  -5.413   0.250
  529    HD2  PHE  75           HD2      PHE  75   7.604  -6.052   1.876
  530    HE1  PHE  75           HE1      PHE  75  10.602  -3.810  -1.390
  531    HE2  PHE  75           HE2      PHE  75   6.661  -4.471   0.225
  532    HZ   PHE  75           HZ       PHE  75   8.130  -3.489  -1.520
  533    H    LYS  76           HN       LYS  76  10.215 -10.583   0.062
  534    HA   LYS  76           HA       LYS  76  11.185 -11.998   2.503
  535   1HB   LYS  76           HB2      LYS  76   8.751 -11.447   2.785
  536   2HB   LYS  76           HB3      LYS  76   8.457 -12.219   1.231
  537   1HG   LYS  76           HG2      LYS  76   9.531 -14.366   2.419
  538   2HG   LYS  76           HG3      LYS  76   9.197 -13.455   3.875
  539   1HD   LYS  76           HD2      LYS  76   7.362 -15.011   3.332
  540   2HD   LYS  76           HD3      LYS  76   6.822 -13.332   3.360
  541   1HE   LYS  76           HE2      LYS  76   5.905 -14.846   1.477
  542   2HE   LYS  76           HE3      LYS  76   6.465 -13.241   1.051
  543   1HZ   LYS  76           HNZ3     LYS  76   8.581 -14.288   0.340
  544   2HZ   LYS  76           HNZ1     LYS  76   7.917 -15.768   0.578
  545   3HZ   LYS  76           HNZ2     LYS  76   7.301 -14.734  -0.550
  546    H    LYS  77           HN       LYS  77  12.905 -12.213   0.558
  547    HA   LYS  77           HA       LYS  77  12.641 -14.851  -0.464
  548   1HB   LYS  77           HB2      LYS  77  12.553 -12.323  -2.160
  549   2HB   LYS  77           HB3      LYS  77  13.510 -13.710  -2.676
  550   1HG   LYS  77           HG2      LYS  77  11.405 -15.138  -2.408
  551   2HG   LYS  77           HG3      LYS  77  10.486 -13.649  -2.214
  552   1HD   LYS  77           HD2      LYS  77  12.184 -14.462  -4.622
  553   2HD   LYS  77           HD3      LYS  77  10.418 -14.503  -4.535
  554   1HE   LYS  77           HE2      LYS  77  12.179 -11.994  -4.445
  555   2HE   LYS  77           HE3      LYS  77  11.164 -12.544  -5.785
  556   1HZ   LYS  77           HNZ3     LYS  77   9.254 -12.345  -4.278
  557   2HZ   LYS  77           HNZ1     LYS  77  10.186 -11.645  -3.140
  558   3HZ   LYS  77           HNZ2     LYS  77   9.979 -10.896  -4.589
   
  No H/Q in entry =         557
  Start of MODEL   11
    1   1H    ALA   1           HN1      ALA   1  -2.068  -4.471   8.967
    2   2H    ALA   1           HN2      ALA   1  -2.350  -3.132   9.823
    3   2H    ALA   1           HN3      ALA   1  -2.350  -3.132   9.823
    4    HA   ALA   1           HA       ALA   1  -0.371  -2.117   9.025
    5   1HB   ALA   1           HB1      ALA   1  -0.193  -4.744   7.467
    6   2HB   ALA   1           HB2      ALA   1   0.730  -3.284   7.061
    7   3HB   ALA   1           HB3      ALA   1   0.969  -4.072   8.635
    8    H    TYR   2           HN       TYR   2  -0.463  -1.334   6.443
    9    HA   TYR   2           HA       TYR   2  -3.124  -1.985   5.325
   10   1HB   TYR   2           HB2      TYR   2  -2.084   0.860   5.500
   11   2HB   TYR   2           HB3      TYR   2  -3.525   0.293   4.648
   12    HD1  TYR   2           HD1      TYR   2  -5.558  -0.421   5.813
   13    HD2  TYR   2           HD2      TYR   2  -2.136   1.047   7.963
   14    HE1  TYR   2           HE1      TYR   2  -6.869  -0.417   7.928
   15    HE2  TYR   2           HE2      TYR   2  -3.513   1.254  10.007
   16    HH   TYR   2           HOH      TYR   2  -5.234   0.041  11.020
   17    H    VAL   3           HN       VAL   3  -3.082  -2.257   3.148
   18    HA   VAL   3           HA       VAL   3  -0.334  -2.496   1.948
   19    HB   VAL   3           HB       VAL   3  -2.508  -4.525   1.637
   20   1HG1  VAL   3           HG12     VAL   3   0.550  -4.618   1.792
   21   2HG1  VAL   3           HG13     VAL   3  -0.475  -6.043   1.609
   22   3HG1  VAL   3           HG11     VAL   3  -0.451  -4.817   0.336
   23   1HG2  VAL   3           HG23     VAL   3  -2.487  -4.335   4.093
   24   2HG2  VAL   3           HG21     VAL   3  -1.785  -5.850   3.566
   25   3HG2  VAL   3           HG22     VAL   3  -0.717  -4.535   4.093
   26    H    ILE   4           HN       ILE   4  -0.304  -2.821  -0.315
   27    HA   ILE   4           HA       ILE   4  -1.927  -0.859  -1.551
   28    HB   ILE   4           HB       ILE   4   0.532  -2.052  -2.072
   29   1HG1  ILE   4           HG12     ILE   4   0.289  -1.127  -4.488
   30   2HG1  ILE   4           HG13     ILE   4  -1.349  -0.678  -4.090
   31   1HG2  ILE   4           HG23     ILE   4  -0.471  -4.127  -2.598
   32   2HG2  ILE   4           HG21     ILE   4  -1.149  -3.449  -4.111
   33   3HG2  ILE   4           HG22     ILE   4   0.609  -3.454  -3.865
   34   1HD1  ILE   4           HD3      ILE   4   1.062   0.183  -2.406
   35   2HD1  ILE   4           HD1      ILE   4   0.411   1.138  -3.733
   36   3HD1  ILE   4           HD2      ILE   4  -0.596   0.822  -2.315
   37    H    THR   5           HN       THR   5  -3.317  -1.108  -3.435
   38    HA   THR   5           HA       THR   5  -4.099  -3.852  -4.128
   39    HB   THR   5           HB       THR   5  -6.457  -3.181  -4.508
   40    HG1  THR   5           HOG      THR   5  -5.791  -0.876  -3.002
   41   1HG2  THR   5           HG2      THR   5  -5.934  -4.383  -2.552
   42   2HG2  THR   5           HG3      THR   5  -5.702  -2.859  -1.648
   43   3HG2  THR   5           HG1      THR   5  -7.297  -3.261  -2.353
   44    H    GLU   6           HN       GLU   6  -5.891  -2.736  -6.122
   45    HA   GLU   6           HA       GLU   6  -4.090  -2.637  -8.265
   46   1HB   GLU   6           HB2      GLU   6  -6.005  -4.000  -8.128
   47   2HB   GLU   6           HB3      GLU   6  -7.016  -2.614  -7.853
   48   1HG   GLU   6           HG2      GLU   6  -7.477  -3.247  -9.981
   49   2HG   GLU   6           HG3      GLU   6  -6.432  -1.834 -10.215
   50    HA   PRO   7           HA       PRO   7  -6.228   1.585  -9.181
   51   1HB   PRO   7           HB2      PRO   7  -6.703   3.082  -6.727
   52   2HB   PRO   7           HB3      PRO   7  -7.830   2.614  -8.022
   53   1HG   PRO   7           HG2      PRO   7  -7.322   1.324  -5.404
   54   2HG   PRO   7           HG3      PRO   7  -8.732   1.134  -6.477
   55   1HD   PRO   7           HD2      PRO   7  -6.867  -0.811  -6.079
   56   2HD   PRO   7           HD3      PRO   7  -7.771  -0.605  -7.612
   57    H    CYS   8           HN       CYS   8  -3.886   1.277  -6.516
   58    HA   CYS   8           HA       CYS   8  -2.620   3.785  -6.789
   59   1HB   CYS   8           HB2      CYS   8  -2.075   2.263  -4.948
   60   2HB   CYS   8           HB3      CYS   8  -1.483   1.079  -6.122
   61    H    ILE   9           HN       ILE   9  -2.405   0.880  -8.792
   62    HA   ILE   9           HA       ILE   9   0.073   0.690  -9.530
   63    HB   ILE   9           HB       ILE   9  -2.392   0.327 -11.166
   64   1HG1  ILE   9           HG12     ILE   9  -0.338  -1.583 -10.004
   65   2HG1  ILE   9           HG13     ILE   9  -1.703  -1.002  -9.072
   66   1HG2  ILE   9           HG21     ILE   9  -0.459   0.686 -12.828
   67   2HG2  ILE   9           HG22     ILE   9   0.372  -0.663 -12.034
   68   3HG2  ILE   9           HG23     ILE   9  -1.174  -0.915 -12.868
   69   1HD1  ILE   9           HD1      ILE   9  -3.236  -1.973 -10.790
   70   2HD1  ILE   9           HD2      ILE   9  -1.808  -2.741 -11.539
   71   3HD1  ILE   9           HD3      ILE   9  -2.249  -3.118  -9.854
   72    H    GLY  10           HN       GLY  10   1.711   1.716 -10.354
   73   1HA   GLY  10           HA2      GLY  10   2.921   3.134 -11.688
   74   2HA   GLY  10           HA3      GLY  10   1.453   3.591 -12.553
   75    H    THR  11           HN       THR  11   1.068   4.000  -9.158
   76    HA   THR  11           HA       THR  11   1.361   5.634  -7.675
   77    HB   THR  11           HB       THR  11   3.183   7.124  -9.636
   78    HG1  THR  11           HOG      THR  11   3.901   5.009  -9.275
   79   1HG2  THR  11           HG3      THR  11   2.755   7.319  -6.648
   80   2HG2  THR  11           HG1      THR  11   4.286   7.754  -7.416
   81   3HG2  THR  11           HG2      THR  11   2.813   8.618  -7.867
   82    H    LYS  12           HN       LYS  12   0.674   7.976  -7.290
   83    HA   LYS  12           HA       LYS  12  -0.815   9.256  -9.458
   84   1HB   LYS  12           HB2      LYS  12  -2.075   8.322  -6.844
   85   2HB   LYS  12           HB3      LYS  12  -2.536   9.876  -7.527
   86   1HG   LYS  12           HG2      LYS  12  -4.160   8.523  -8.410
   87   2HG   LYS  12           HG3      LYS  12  -3.007   8.717  -9.721
   88   1HD   LYS  12           HD2      LYS  12  -2.089   6.437  -8.375
   89   2HD   LYS  12           HD3      LYS  12  -3.804   6.291  -8.136
   90   1HE   LYS  12           HE2      LYS  12  -4.240   5.847 -10.374
   91   2HE   LYS  12           HE3      LYS  12  -2.973   6.942 -10.966
   92   1HZ   LYS  12           HNZ2     LYS  12  -2.389   4.350  -9.754
   93   2HZ   LYS  12           HNZ3     LYS  12  -2.314   4.634 -11.359
   94   3HZ   LYS  12           HNZ1     LYS  12  -1.324   5.431 -10.329
   95    H    ASP  13           HN       ASP  13  -1.327  11.474  -8.815
   96    HA   ASP  13           HA       ASP  13   0.934  12.943  -8.358
   97   1HB   ASP  13           HB2      ASP  13  -0.755  14.847  -7.894
   98   2HB   ASP  13           HB3      ASP  13  -0.805  14.002  -9.442
   99    H    ALA  14           HN       ALA  14  -1.685  12.829  -5.917
  100    HA   ALA  14           HA       ALA  14   0.042  13.830  -3.812
  101   1HB   ALA  14           HB1      ALA  14  -2.366  14.300  -3.907
  102   2HB   ALA  14           HB2      ALA  14  -2.733  12.574  -3.713
  103   3HB   ALA  14           HB3      ALA  14  -1.947  13.470  -2.395
  104    H    SER  15           HN       SER  15   1.657  11.979  -4.491
  105    HA   SER  15           HA       SER  15   1.185   9.330  -3.826
  106   1HB   SER  15           HB2      SER  15   3.900  10.647  -3.563
  107   2HB   SER  15           HB3      SER  15   3.506   9.023  -4.169
  108    HG   SER  15           HOG      SER  15   2.298  10.338  -5.872
  109    H    CYS  16           HN       CYS  16   1.975   8.012  -2.134
  110    HA   CYS  16           HA       CYS  16   1.527   9.089   0.525
  111   1HB   CYS  16           HB2      CYS  16   1.971   6.703   1.174
  112   2HB   CYS  16           HB3      CYS  16   0.529   7.044   0.240
  113    H    VAL  17           HN       VAL  17   4.152   7.132  -0.801
  114    HA   VAL  17           HA       VAL  17   6.210   6.728   0.182
  115    HB   VAL  17           HB       VAL  17   7.796   8.372  -0.853
  116   1HG1  VAL  17           HG13     VAL  17   6.999   6.317  -1.946
  117   2HG1  VAL  17           HG11     VAL  17   5.603   7.199  -2.606
  118   3HG1  VAL  17           HG12     VAL  17   7.252   7.619  -3.111
  119   1HG2  VAL  17           HG22     VAL  17   5.211   9.705  -1.796
  120   2HG2  VAL  17           HG23     VAL  17   6.597  10.489  -1.015
  121   3HG2  VAL  17           HG21     VAL  17   6.760   9.854  -2.634
  122    H    GLU  18           HN       GLU  18   6.319  10.267   0.787
  123    HA   GLU  18           HA       GLU  18   8.263   9.733   2.827
  124   1HB   GLU  18           HB2      GLU  18   8.339  12.188   3.029
  125   2HB   GLU  18           HB3      GLU  18   8.527  11.625   1.365
  126   1HG   GLU  18           HG2      GLU  18   6.198  12.259   0.846
  127   2HG   GLU  18           HG3      GLU  18   5.936  12.733   2.535
  128    H    VAL  19           HN       VAL  19   4.783  10.053   2.959
  129    HA   VAL  19           HA       VAL  19   4.701  11.344   5.513
  130    HB   VAL  19           HB       VAL  19   2.369  10.818   5.587
  131   1HG1  VAL  19           HG12     VAL  19   3.132  12.613   4.085
  132   2HG1  VAL  19           HG13     VAL  19   3.167  11.476   2.724
  133   3HG1  VAL  19           HG11     VAL  19   1.633  11.851   3.526
  134   1HG2  VAL  19           HG23     VAL  19   2.973   8.742   3.462
  135   2HG2  VAL  19           HG21     VAL  19   2.118   8.562   4.999
  136   3HG2  VAL  19           HG22     VAL  19   1.355   9.439   3.664
  137    H    CYS  20           HN       CYS  20   5.407   8.011   4.745
  138    HA   CYS  20           HA       CYS  20   4.059   6.897   6.943
  139   1HB   CYS  20           HB2      CYS  20   4.446   5.672   5.017
  140   2HB   CYS  20           HB3      CYS  20   6.200   5.825   5.179
  141    HA   PRO  21           HA       PRO  21   6.878   8.027  10.263
  142   1HB   PRO  21           HB2      PRO  21   5.431   5.662  11.491
  143   2HB   PRO  21           HB3      PRO  21   5.887   7.208  12.267
  144   1HG   PRO  21           HG2      PRO  21   3.347   6.857  11.394
  145   2HG   PRO  21           HG3      PRO  21   4.197   8.387  11.005
  146   1HD   PRO  21           HD2      PRO  21   3.819   5.965   9.241
  147   2HD   PRO  21           HD3      PRO  21   3.592   7.702   8.872
  148    H    VAL  22           HN       VAL  22   6.636   4.799   8.847
  149    HA   VAL  22           HA       VAL  22   9.358   4.122   9.885
  150    HB   VAL  22           HB       VAL  22   8.642   1.755   9.844
  151   1HG1  VAL  22           HG12     VAL  22   8.625   3.073  11.942
  152   2HG1  VAL  22           HG13     VAL  22   6.913   3.464  11.675
  153   3HG1  VAL  22           HG11     VAL  22   7.414   1.781  11.926
  154   1HG2  VAL  22           HG22     VAL  22   6.709   1.939   8.267
  155   2HG2  VAL  22           HG23     VAL  22   6.268   1.157   9.794
  156   3HG2  VAL  22           HG21     VAL  22   5.810   2.841   9.508
  157    H    ASP  23           HN       ASP  23   8.373   5.526   7.371
  158    HA   ASP  23           HA       ASP  23   9.266   5.793   5.366
  159   1HB   ASP  23           HB2      ASP  23  11.255   3.663   6.253
  160   2HB   ASP  23           HB3      ASP  23  11.432   4.726   4.861
  161    H    CYS  24           HN       CYS  24   8.358   2.507   5.984
  162    HA   CYS  24           HA       CYS  24   9.587   1.467   3.744
  163   1HB   CYS  24           HB2      CYS  24   8.762   0.546   6.168
  164   2HB   CYS  24           HB3      CYS  24   7.607  -0.296   5.146
  165    HG   CYS  24           HSG      CYS  24   9.493  -1.238   3.517
  166    H    ILE  25           HN       ILE  25   7.865   3.206   2.545
  167    HA   ILE  25           HA       ILE  25   6.015   1.554   0.908
  168    HB   ILE  25           HB       ILE  25   6.758   4.514   0.828
  169   1HG1  ILE  25           HG12     ILE  25   4.251   4.802   0.996
  170   2HG1  ILE  25           HG13     ILE  25   4.112   3.081   1.304
  171   1HG2  ILE  25           HG22     ILE  25   5.036   2.876  -1.089
  172   2HG2  ILE  25           HG23     ILE  25   5.110   4.645  -1.069
  173   3HG2  ILE  25           HG21     ILE  25   6.545   3.724  -1.496
  174   1HD1  ILE  25           HD3      ILE  25   5.581   5.132   2.987
  175   2HD1  ILE  25           HD1      ILE  25   3.961   4.451   3.301
  176   3HD1  ILE  25           HD2      ILE  25   5.386   3.418   3.442
  177    H    HIS  26           HN       HIS  26   6.811   0.704  -1.014
  178    HA   HIS  26           HA       HIS  26   9.531   1.472  -1.943
  179   1HB   HIS  26           HB2      HIS  26   8.209  -1.212  -1.496
  180   2HB   HIS  26           HB3      HIS  26   9.672  -1.002  -2.443
  181    HD1  HIS  26           HND      HIS  26  11.730   0.351  -0.870
  182    HD2  HIS  26           HD       HIS  26   8.578  -1.667   1.060
  183    HE1  HIS  26           HE       HIS  26  12.481  -0.056   1.536
  184    H    GLU  27           HN       GLU  27   9.821   0.642  -4.209
  185    HA   GLU  27           HA       GLU  27   7.327   0.947  -5.790
  186   1HB   GLU  27           HB2      GLU  27  10.198   1.068  -6.800
  187   2HB   GLU  27           HB3      GLU  27   8.731   1.659  -7.590
  188   1HG   GLU  27           HG2      GLU  27   8.540   3.408  -5.776
  189   2HG   GLU  27           HG3      GLU  27  10.076   2.839  -5.103
  190    H    GLY  28           HN       GLY  28   6.922  -0.705  -7.448
  191   1HA   GLY  28           HA2      GLY  28   8.937  -2.940  -7.553
  192   2HA   GLY  28           HA3      GLY  28   7.212  -3.250  -7.645
  193    H    GLU  29           HN       GLU  29   6.774  -3.763  -9.741
  194    HA   GLU  29           HA       GLU  29   8.505  -3.230 -11.863
  195   1HB   GLU  29           HB2      GLU  29   5.524  -3.989 -11.938
  196   2HB   GLU  29           HB3      GLU  29   6.741  -4.229 -13.170
  197   1HG   GLU  29           HG2      GLU  29   6.824  -6.315 -12.237
  198   2HG   GLU  29           HG3      GLU  29   7.944  -5.563 -11.099
  199    H    ASP  30           HN       ASP  30   5.249  -2.083 -11.414
  200    HA   ASP  30           HA       ASP  30   5.743   0.638 -12.533
  201   1HB   ASP  30           HB2      ASP  30   4.710  -0.880 -14.198
  202   2HB   ASP  30           HB3      ASP  30   3.412  -1.296 -13.088
  203    H    GLN  31           HN       GLN  31   3.374  -1.497 -11.058
  204    HA   GLN  31           HA       GLN  31   2.111  -0.032  -9.133
  205   1HB   GLN  31           HB2      GLN  31   1.665  -2.392  -9.754
  206   2HB   GLN  31           HB3      GLN  31   3.241  -2.846  -9.121
  207   1HG   GLN  31           HG2      GLN  31   1.575  -3.526  -7.533
  208   2HG   GLN  31           HG3      GLN  31   2.568  -2.222  -6.887
  209   1HE2  GLN  31           HNE2     GLN  31  -1.385  -1.783  -6.758
  210   2HE2  GLN  31           HNE1     GLN  31  -0.603  -3.292  -7.171
  211    H    TYR  32           HN       TYR  32   2.451   0.400  -6.927
  212    HA   TYR  32           HA       TYR  32   5.271   0.279  -5.915
  213   1HB   TYR  32           HB2      TYR  32   2.999   2.236  -5.365
  214   2HB   TYR  32           HB3      TYR  32   4.304   1.979  -4.219
  215    HD1  TYR  32           HD2      TYR  32   5.353   1.926  -7.771
  216    HD2  TYR  32           HD1      TYR  32   4.654   4.396  -4.293
  217    HE1  TYR  32           HE2      TYR  32   6.842   3.643  -8.689
  218    HE2  TYR  32           HE1      TYR  32   6.105   6.148  -5.273
  219    HH   TYR  32           HOH      TYR  32   8.267   5.519  -7.770
  220    H    TYR  33           HN       TYR  33   5.362  -0.121  -3.544
  221    HA   TYR  33           HA       TYR  33   3.177  -1.901  -2.557
  222   1HB   TYR  33           HB2      TYR  33   6.114  -2.605  -2.650
  223   2HB   TYR  33           HB3      TYR  33   4.876  -3.568  -1.927
  224    HD1  TYR  33           HD1      TYR  33   5.853  -2.180  -5.304
  225    HD2  TYR  33           HD2      TYR  33   4.016  -5.385  -3.116
  226    HE1  TYR  33           HE1      TYR  33   5.065  -3.194  -7.425
  227    HE2  TYR  33           HE2      TYR  33   3.366  -6.467  -5.216
  228    HH   TYR  33           HOH      TYR  33   4.504  -5.195  -8.339
  229    H    ILE  34           HN       ILE  34   3.798  -2.632  -0.307
  230    HA   ILE  34           HA       ILE  34   5.188  -0.592   1.333
  231    HB   ILE  34           HB       ILE  34   2.324  -1.619   1.684
  232   1HG1  ILE  34           HG12     ILE  34   3.282   1.237   1.776
  233   2HG1  ILE  34           HG13     ILE  34   2.859   0.487   0.232
  234   1HG2  ILE  34           HG23     ILE  34   4.058  -0.110   3.696
  235   2HG2  ILE  34           HG21     ILE  34   2.303  -0.297   3.837
  236   3HG2  ILE  34           HG22     ILE  34   3.330  -1.712   3.912
  237   1HD1  ILE  34           HD1      ILE  34   0.578  -0.068   1.305
  238   2HD1  ILE  34           HD2      ILE  34   1.021   1.160   2.520
  239   3HD1  ILE  34           HD3      ILE  34   0.931   1.596   0.804
  240    H    ASP  35           HN       ASP  35   6.314  -1.699   3.058
  241    HA   ASP  35           HA       ASP  35   6.107  -4.593   3.091
  242   1HB   ASP  35           HB2      ASP  35   8.273  -3.596   3.475
  243   2HB   ASP  35           HB3      ASP  35   7.652  -2.784   4.925
  244    HA   PRO  36           HA       PRO  36   2.713  -3.856   5.966
  245   1HB   PRO  36           HB2      PRO  36   1.304  -6.135   5.709
  246   2HB   PRO  36           HB3      PRO  36   1.555  -5.072   4.290
  247   1HG   PRO  36           HG2      PRO  36   3.131  -7.551   5.041
  248   2HG   PRO  36           HG3      PRO  36   2.401  -7.149   3.453
  249   1HD   PRO  36           HD2      PRO  36   5.054  -6.644   4.156
  250   2HD   PRO  36           HD3      PRO  36   4.145  -5.722   2.934
  251    H    ASP  37           HN       ASP  37   5.467  -5.694   6.584
  252    HA   ASP  37           HA       ASP  37   4.441  -6.823   9.143
  253   1HB   ASP  37           HB2      ASP  37   5.903  -8.165   7.509
  254   2HB   ASP  37           HB3      ASP  37   7.223  -7.070   7.948
  255    H    VAL  38           HN       VAL  38   6.669  -4.501   7.607
  256    HA   VAL  38           HA       VAL  38   7.643  -3.308  10.055
  257    HB   VAL  38           HB       VAL  38   7.579  -2.445   7.140
  258   1HG1  VAL  38           HG11     VAL  38   8.644  -0.968   9.563
  259   2HG1  VAL  38           HG12     VAL  38   9.286  -0.699   7.937
  260   3HG1  VAL  38           HG13     VAL  38   7.569  -0.386   8.262
  261   1HG2  VAL  38           HG23     VAL  38   9.101  -4.341   7.736
  262   2HG2  VAL  38           HG21     VAL  38   9.988  -2.897   7.231
  263   3HG2  VAL  38           HG22     VAL  38   9.875  -3.308   8.956
  264    H    CYS  39           HN       CYS  39   5.031  -2.497   7.688
  265    HA   CYS  39           HA       CYS  39   4.302  -0.032   8.745
  266   1HB   CYS  39           HB2      CYS  39   3.370  -0.972   6.702
  267   2HB   CYS  39           HB3      CYS  39   2.570  -2.194   7.663
  268    H    ILE  40           HN       ILE  40   3.836   0.541  10.754
  269    HA   ILE  40           HA       ILE  40   3.214  -1.271  12.864
  270    HB   ILE  40           HB       ILE  40   2.916   0.777  14.185
  271   1HG1  ILE  40           HG12     ILE  40   3.952   2.414  11.862
  272   2HG1  ILE  40           HG13     ILE  40   2.210   2.111  11.955
  273   1HG2  ILE  40           HG21     ILE  40   5.426   0.399  12.521
  274   2HG2  ILE  40           HG22     ILE  40   5.340   1.520  13.893
  275   3HG2  ILE  40           HG23     ILE  40   5.066  -0.210  14.147
  276   1HD1  ILE  40           HD3      ILE  40   3.832   3.329  14.219
  277   2HD1  ILE  40           HD1      ILE  40   2.832   4.224  13.054
  278   3HD1  ILE  40           HD2      ILE  40   2.071   3.069  14.167
  279    H    ASP  41           HN       ASP  41   1.128   0.024  10.559
  280    HA   ASP  41           HA       ASP  41  -1.101  -0.027  10.253
  281   1HB   ASP  41           HB2      ASP  41  -1.125  -2.055  11.851
  282   2HB   ASP  41           HB3      ASP  41  -1.665  -0.923  13.094
  283    H    CYS  42           HN       CYS  42  -1.323   2.171   9.938
  284    HA   CYS  42           HA       CYS  42  -2.060   3.835  12.214
  285   1HB   CYS  42           HB2      CYS  42  -0.336   5.253  12.191
  286   2HB   CYS  42           HB3      CYS  42   0.547   3.771  11.885
  287    H    GLY  43           HN       GLY  43  -3.106   5.807  11.517
  288   1HA   GLY  43           HA2      GLY  43  -4.360   5.398   8.852
  289   2HA   GLY  43           HA3      GLY  43  -5.024   6.299  10.212
  290    H    ALA  44           HN       ALA  44  -1.844   6.490   8.556
  291    HA   ALA  44           HA       ALA  44  -2.301   9.424   8.090
  292   1HB   ALA  44           HB2      ALA  44   0.279   7.811   8.078
  293   2HB   ALA  44           HB3      ALA  44   0.120   9.555   7.783
  294   3HB   ALA  44           HB1      ALA  44  -0.304   8.881   9.368
  295    H    CYS  45           HN       CYS  45  -0.653   6.713   6.395
  296    HA   CYS  45           HA       CYS  45  -0.634   7.964   3.910
  297   1HB   CYS  45           HB2      CYS  45   0.016   5.843   3.023
  298   2HB   CYS  45           HB3      CYS  45   0.865   6.239   4.497
  299    H    GLU  46           HN       GLU  46  -3.045   5.541   5.102
  300    HA   GLU  46           HA       GLU  46  -4.638   5.348   2.860
  301   1HB   GLU  46           HB2      GLU  46  -6.229   5.840   5.329
  302   2HB   GLU  46           HB3      GLU  46  -6.347   4.558   4.148
  303   1HG   GLU  46           HG2      GLU  46  -4.688   3.251   5.309
  304   2HG   GLU  46           HG3      GLU  46  -4.239   4.620   6.359
  305    H    ALA  47           HN       ALA  47  -4.634   7.990   5.251
  306    HA   ALA  47           HA       ALA  47  -7.066   9.196   4.450
  307   1HB   ALA  47           HB2      ALA  47  -5.983   9.626   6.628
  308   2HB   ALA  47           HB3      ALA  47  -4.664  10.492   5.808
  309   3HB   ALA  47           HB1      ALA  47  -6.313  11.133   5.750
  310    H    VAL  48           HN       VAL  48  -3.715   9.659   3.323
  311    HA   VAL  48           HA       VAL  48  -4.574  11.864   1.545
  312    HB   VAL  48           HB       VAL  48  -2.291  12.127   0.942
  313   1HG1  VAL  48           HG11     VAL  48  -3.224  13.142   3.057
  314   2HG1  VAL  48           HG12     VAL  48  -2.476  11.814   3.968
  315   3HG1  VAL  48           HG13     VAL  48  -1.462  12.945   3.051
  316   1HG2  VAL  48           HG21     VAL  48  -1.478   9.768   1.032
  317   2HG2  VAL  48           HG22     VAL  48  -0.453  10.883   1.941
  318   3HG2  VAL  48           HG23     VAL  48  -1.581   9.831   2.808
  319    H    CYS  49           HN       CYS  49  -3.710   8.393   1.312
  320    HA   CYS  49           HA       CYS  49  -3.170   8.292  -1.367
  321   1HB   CYS  49           HB2      CYS  49  -2.941   6.373   0.179
  322   2HB   CYS  49           HB3      CYS  49  -4.681   6.249   0.225
  323    HA   PRO  50           HA       PRO  50  -7.050   9.650  -3.141
  324   1HB   PRO  50           HB2      PRO  50  -6.379   8.308  -5.682
  325   2HB   PRO  50           HB3      PRO  50  -6.618  10.039  -5.338
  326   1HG   PRO  50           HG2      PRO  50  -4.144   8.683  -5.739
  327   2HG   PRO  50           HG3      PRO  50  -4.347  10.355  -5.151
  328   1HD   PRO  50           HD2      PRO  50  -3.515   7.984  -3.679
  329   2HD   PRO  50           HD3      PRO  50  -3.563   9.683  -3.130
  330    H    VAL  51           HN       VAL  51  -8.899   8.648  -2.635
  331    HA   VAL  51           HA       VAL  51 -10.527   7.147  -2.362
  332    HB   VAL  51           HB       VAL  51  -9.430   5.434  -4.613
  333   1HG1  VAL  51           HG13     VAL  51 -12.257   6.246  -3.780
  334   2HG1  VAL  51           HG11     VAL  51 -11.845   5.218  -5.164
  335   3HG1  VAL  51           HG12     VAL  51 -11.531   4.648  -3.531
  336   1HG2  VAL  51           HG21     VAL  51 -10.826   8.133  -4.878
  337   2HG2  VAL  51           HG22     VAL  51  -9.234   7.682  -5.533
  338   3HG2  VAL  51           HG23     VAL  51 -10.688   6.947  -6.191
  339    H    SER  52           HN       SER  52  -7.733   6.752  -1.113
  340    HA   SER  52           HA       SER  52  -6.628   5.301   0.187
  341   1HB   SER  52           HB2      SER  52  -8.682   5.611   1.452
  342   2HB   SER  52           HB3      SER  52  -9.353   4.124   0.732
  343    HG   SER  52           HOG      SER  52  -7.393   3.081   1.656
  344    H    ALA  53           HN       ALA  53  -6.146   4.580  -2.334
  345    HA   ALA  53           HA       ALA  53  -6.822   1.909  -3.083
  346   1HB   ALA  53           HB2      ALA  53  -5.612   3.563  -4.547
  347   2HB   ALA  53           HB3      ALA  53  -4.151   3.286  -3.575
  348   3HB   ALA  53           HB1      ALA  53  -4.864   1.951  -4.488
  349    H    ILE  54           HN       ILE  54  -4.530   3.206  -0.734
  350    HA   ILE  54           HA       ILE  54  -3.416   0.680   0.104
  351    HB   ILE  54           HB       ILE  54  -3.767   3.349   1.508
  352   1HG1  ILE  54           HG12     ILE  54  -1.350   2.103   0.117
  353   2HG1  ILE  54           HG13     ILE  54  -2.362   3.411  -0.494
  354   1HG2  ILE  54           HG21     ILE  54  -2.944   0.768   2.564
  355   2HG2  ILE  54           HG22     ILE  54  -1.593   1.887   2.646
  356   3HG2  ILE  54           HG23     ILE  54  -3.132   2.336   3.393
  357   1HD1  ILE  54           HD1      ILE  54  -1.760   4.637   1.742
  358   2HD1  ILE  54           HD2      ILE  54  -0.365   3.533   1.742
  359   3HD1  ILE  54           HD3      ILE  54  -0.624   4.632   0.385
  360    H    TYR  55           HN       TYR  55  -4.695  -0.936   0.895
  361    HA   TYR  55           HA       TYR  55  -6.897  -0.336   2.795
  362   1HB   TYR  55           HB2      TYR  55  -6.883  -2.110   0.392
  363   2HB   TYR  55           HB3      TYR  55  -8.094  -2.272   1.667
  364    HD1  TYR  55           HD2      TYR  55  -9.203   0.216   2.273
  365    HD2  TYR  55           HD1      TYR  55  -7.791  -1.170  -1.557
  366    HE1  TYR  55           HE2      TYR  55 -10.802   1.723   1.126
  367    HE2  TYR  55           HE1      TYR  55  -9.432   0.286  -2.693
  368    HH   TYR  55           HOH      TYR  55 -10.515   2.847  -1.678
  369    H    HIS  56           HN       HIS  56  -7.351  -1.997   4.267
  370    HA   HIS  56           HA       HIS  56  -4.980  -3.446   5.083
  371   1HB   HIS  56           HB2      HIS  56  -6.680  -2.432   6.610
  372   2HB   HIS  56           HB3      HIS  56  -7.866  -3.595   6.032
  373    HD1  HIS  56           HND      HIS  56  -8.151  -5.034   8.238
  374    HD2  HIS  56           HD       HIS  56  -4.219  -4.697   6.791
  375    HE1  HIS  56           HE       HIS  56  -6.733  -6.742   9.486
  376    H    GLU  57           HN       GLU  57  -4.678  -5.722   5.017
  377    HA   GLU  57           HA       GLU  57  -5.414  -7.310   2.953
  378   1HB   GLU  57           HB2      GLU  57  -3.722  -7.876   4.620
  379   2HB   GLU  57           HB3      GLU  57  -4.991  -8.235   5.809
  380   1HG   GLU  57           HG2      GLU  57  -5.730 -10.095   4.748
  381   2HG   GLU  57           HG3      GLU  57  -5.013  -9.657   3.172
  382    H    ASP  58           HN       ASP  58  -7.286  -6.800   5.907
  383    HA   ASP  58           HA       ASP  58  -9.181  -8.911   5.611
  384   1HB   ASP  58           HB2      ASP  58  -8.806  -7.714   7.731
  385   2HB   ASP  58           HB3      ASP  58  -9.420  -6.206   7.011
  386    H    PHE  59           HN       PHE  59  -9.427  -5.392   4.907
  387    HA   PHE  59           HA       PHE  59 -11.950  -5.316   3.703
  388   1HB   PHE  59           HB2      PHE  59  -9.502  -3.549   3.386
  389   2HB   PHE  59           HB3      PHE  59 -11.170  -3.113   3.121
  390    HD1  PHE  59           HD2      PHE  59 -11.720  -4.771   6.041
  391    HD2  PHE  59           HD1      PHE  59  -9.629  -1.269   4.603
  392    HE1  PHE  59           HE2      PHE  59 -11.611  -3.905   8.320
  393    HE2  PHE  59           HE1      PHE  59  -9.575  -0.372   6.910
  394    HZ   PHE  59           HZ       PHE  59 -10.542  -1.693   8.783
  395    H    VAL  60           HN       VAL  60  -8.665  -5.854   2.611
  396    HA   VAL  60           HA       VAL  60  -8.971  -5.239  -0.129
  397    HB   VAL  60           HB       VAL  60  -7.005  -6.745   1.536
  398   1HG1  VAL  60           HG11     VAL  60  -6.993  -6.917  -1.488
  399   2HG1  VAL  60           HG12     VAL  60  -5.602  -7.217  -0.438
  400   3HG1  VAL  60           HG13     VAL  60  -7.012  -8.274  -0.335
  401   1HG2  VAL  60           HG23     VAL  60  -7.072  -4.278   1.142
  402   2HG2  VAL  60           HG21     VAL  60  -5.575  -5.001   0.544
  403   3HG2  VAL  60           HG22     VAL  60  -6.904  -4.646  -0.591
  404    HA   PRO  61           HA       PRO  61 -11.676  -8.609  -1.221
  405   1HB   PRO  61           HB2      PRO  61 -11.297  -8.496  -4.024
  406   2HB   PRO  61           HB3      PRO  61 -12.501  -7.596  -3.080
  407   1HG   PRO  61           HG2      PRO  61  -9.922  -6.660  -4.235
  408   2HG   PRO  61           HG3      PRO  61 -11.382  -5.709  -3.859
  409   1HD   PRO  61           HD2      PRO  61  -9.015  -5.758  -2.339
  410   2HD   PRO  61           HD3      PRO  61 -10.615  -5.229  -1.731
  411    H    GLU  62           HN       GLU  62 -11.422 -10.865  -1.767
  412    HA   GLU  62           HA       GLU  62  -9.133 -12.172  -1.383
  413   1HB   GLU  62           HB2      GLU  62 -11.787 -12.593  -2.779
  414   2HB   GLU  62           HB3      GLU  62 -10.557 -13.805  -2.859
  415   1HG   GLU  62           HG2      GLU  62 -12.120 -14.140  -0.910
  416   2HG   GLU  62           HG3      GLU  62 -10.437 -13.948  -0.395
  417    H    GLU  63           HN       GLU  63 -10.420 -11.119  -4.503
  418    HA   GLU  63           HA       GLU  63  -8.581 -12.008  -6.358
  419   1HB   GLU  63           HB2      GLU  63 -10.546 -10.596  -6.798
  420   2HB   GLU  63           HB3      GLU  63  -9.680  -9.178  -6.173
  421   1HG   GLU  63           HG2      GLU  63  -7.941  -9.569  -7.970
  422   2HG   GLU  63           HG3      GLU  63  -8.957 -10.866  -8.612
  423    H    TRP  64           HN       TRP  64  -8.184  -9.254  -4.109
  424    HA   TRP  64           HA       TRP  64  -5.370  -8.834  -4.963
  425   1HB   TRP  64           HB2      TRP  64  -7.395  -6.980  -3.691
  426   2HB   TRP  64           HB3      TRP  64  -5.735  -6.539  -4.035
  427    HD1  TRP  64           HD       TRP  64  -6.105  -8.364  -6.941
  428    HE1  TRP  64           HNE      TRP  64  -7.528  -7.428  -8.847
  429    HE3  TRP  64           HE       TRP  64  -8.389  -4.441  -4.514
  430    HZ2  TRP  64           HZ1      TRP  64  -9.123  -5.203  -9.378
  431    HZ3  TRP  64           HZ2      TRP  64  -9.672  -2.790  -5.878
  432    HH2  TRP  64           HH       TRP  64 -10.122  -3.246  -8.284
  433    H    LYS  65           HN       LYS  65  -6.975 -10.343  -2.450
  434    HA   LYS  65           HA       LYS  65  -5.033 -10.051  -0.349
  435   1HB   LYS  65           HB2      LYS  65  -6.603 -12.484  -1.229
  436   2HB   LYS  65           HB3      LYS  65  -5.479 -12.415   0.139
  437   1HG   LYS  65           HG2      LYS  65  -6.679 -10.342   0.935
  438   2HG   LYS  65           HG3      LYS  65  -7.936 -10.633  -0.255
  439   1HD   LYS  65           HD2      LYS  65  -8.662 -12.642   0.892
  440   2HD   LYS  65           HD3      LYS  65  -7.106 -12.790   1.724
  441   1HE   LYS  65           HE2      LYS  65  -8.607 -11.954   3.366
  442   2HE   LYS  65           HE3      LYS  65  -7.475 -10.676   2.873
  443   1HZ   LYS  65           HNZ3     LYS  65 -10.285 -10.987   1.929
  444   2HZ   LYS  65           HNZ1     LYS  65  -9.810  -9.856   3.053
  445   3HZ   LYS  65           HNZ2     LYS  65  -9.298  -9.737   1.527
  446    H    SER  66           HN       SER  66  -4.921 -11.697  -3.526
  447    HA   SER  66           HA       SER  66  -2.430 -12.855  -3.577
  448   1HB   SER  66           HB2      SER  66  -3.569 -11.093  -5.787
  449   2HB   SER  66           HB3      SER  66  -2.549 -12.536  -5.943
  450    HG   SER  66           HOG      SER  66  -5.235 -12.337  -5.720
  451    H    TYR  67           HN       TYR  67  -3.155  -9.310  -4.020
  452    HA   TYR  67           HA       TYR  67  -0.370  -8.623  -4.550
  453   1HB   TYR  67           HB2      TYR  67  -2.831  -7.005  -3.711
  454   2HB   TYR  67           HB3      TYR  67  -1.233  -6.316  -3.721
  455    HD1  TYR  67           HD2      TYR  67   0.122  -6.696  -6.055
  456    HD2  TYR  67           HD1      TYR  67  -4.157  -6.612  -5.604
  457    HE1  TYR  67           HE2      TYR  67  -0.133  -6.084  -8.453
  458    HE2  TYR  67           HE1      TYR  67  -4.404  -5.961  -7.978
  459    HH   TYR  67           HOH      TYR  67  -3.286  -5.291  -9.904
  460    H    ILE  68           HN       ILE  68  -2.436  -8.840  -1.579
  461    HA   ILE  68           HA       ILE  68  -0.501  -7.470  -0.056
  462    HB   ILE  68           HB       ILE  68  -2.768  -9.414   0.543
  463   1HG1  ILE  68           HG12     ILE  68  -4.065  -7.686   1.077
  464   2HG1  ILE  68           HG13     ILE  68  -2.766  -6.720   1.739
  465   1HG2  ILE  68           HG23     ILE  68  -0.881  -8.161   2.554
  466   2HG2  ILE  68           HG21     ILE  68  -2.495  -8.773   2.949
  467   3HG2  ILE  68           HG22     ILE  68  -1.271  -9.883   2.323
  468   1HD1  ILE  68           HD3      ILE  68  -2.066  -6.076  -0.603
  469   2HD1  ILE  68           HD1      ILE  68  -3.462  -6.974  -1.204
  470   3HD1  ILE  68           HD2      ILE  68  -3.680  -5.576  -0.164
  471    H    GLN  69           HN       GLN  69  -1.119 -10.923  -0.637
  472    HA   GLN  69           HA       GLN  69   1.134 -12.025   0.702
  473   1HB   GLN  69           HB2      GLN  69  -0.694 -12.782  -1.573
  474   2HB   GLN  69           HB3      GLN  69   0.784 -13.697  -1.351
  475   1HG   GLN  69           HG2      GLN  69  -1.443 -14.476  -0.169
  476   2HG   GLN  69           HG3      GLN  69   0.127 -14.634   0.613
  477   1HE2  GLN  69           HNE2     GLN  69  -2.573 -11.942   2.248
  478   2HE2  GLN  69           HNE1     GLN  69  -2.634 -12.229   0.500
  479    H    LYS  70           HN       LYS  70   0.858 -10.544  -2.566
  480    HA   LYS  70           HA       LYS  70   3.562 -10.998  -3.242
  481   1HB   LYS  70           HB2      LYS  70   1.531 -10.178  -4.696
  482   2HB   LYS  70           HB3      LYS  70   2.010  -8.564  -4.174
  483   1HG   LYS  70           HG2      LYS  70   4.258  -8.890  -5.112
  484   2HG   LYS  70           HG3      LYS  70   3.815 -10.530  -5.634
  485   1HD   LYS  70           HD2      LYS  70   2.010  -9.604  -7.073
  486   2HD   LYS  70           HD3      LYS  70   2.392  -7.972  -6.512
  487   1HE   LYS  70           HE2      LYS  70   4.799  -8.428  -7.394
  488   2HE   LYS  70           HE3      LYS  70   4.095  -9.804  -8.259
  489   1HZ   LYS  70           HNZ2     LYS  70   2.633  -8.141  -9.355
  490   2HZ   LYS  70           HNZ3     LYS  70   3.405  -6.947  -8.489
  491   3HZ   LYS  70           HNZ1     LYS  70   4.236  -7.804  -9.574
  492    H    ASN  71           HN       ASN  71   2.152  -7.983  -1.734
  493    HA   ASN  71           HA       ASN  71   4.564  -6.619  -1.331
  494   1HB   ASN  71           HB2      ASN  71   1.969  -6.806   0.260
  495   2HB   ASN  71           HB3      ASN  71   3.294  -5.779   0.773
  496   1HD2  ASN  71           HND2     ASN  71   1.430  -4.730  -2.741
  497   2HD2  ASN  71           HND1     ASN  71   1.361  -6.410  -2.256
  498    H    ARG  72           HN       ARG  72   3.080  -9.184   0.736
  499    HA   ARG  72           HA       ARG  72   5.161  -9.219   2.669
  500   1HB   ARG  72           HB2      ARG  72   3.031 -11.059   1.639
  501   2HB   ARG  72           HB3      ARG  72   4.374 -11.811   2.470
  502   1HG   ARG  72           HG2      ARG  72   3.989 -10.411   4.454
  503   2HG   ARG  72           HG3      ARG  72   2.788  -9.461   3.550
  504   1HD   ARG  72           HD2      ARG  72   1.431 -11.526   3.262
  505   2HD   ARG  72           HD3      ARG  72   2.512 -12.379   4.383
  506    HE   ARG  72           HNE      ARG  72   1.924 -10.322   5.932
  507   1HH1  ARG  72           HN22     ARG  72  -0.353 -12.256   3.945
  508   2HH1  ARG  72           HN21     ARG  72  -1.749 -11.484   4.613
  509   1HH2  ARG  72           HN12     ARG  72  -0.030  -9.448   6.933
  510   2HH2  ARG  72           HN11     ARG  72  -1.576 -10.036   6.318
  511    H    ASP  73           HN       ASP  73   4.802 -11.087  -0.425
  512    HA   ASP  73           HA       ASP  73   7.137 -12.580  -0.140
  513   1HB   ASP  73           HB2      ASP  73   5.156 -12.524  -1.979
  514   2HB   ASP  73           HB3      ASP  73   6.391 -11.710  -2.906
  515    H    PHE  74           HN       PHE  74   6.663  -9.485  -1.664
  516    HA   PHE  74           HA       PHE  74   9.088  -8.962  -2.902
  517   1HB   PHE  74           HB2      PHE  74   6.923  -7.342  -1.636
  518   2HB   PHE  74           HB3      PHE  74   8.473  -6.560  -1.702
  519    HD1  PHE  74           HD2      PHE  74   6.926  -8.936  -4.187
  520    HD2  PHE  74           HD1      PHE  74   8.317  -4.931  -3.386
  521    HE1  PHE  74           HE2      PHE  74   6.919  -8.424  -6.612
  522    HE2  PHE  74           HE1      PHE  74   8.120  -4.380  -5.770
  523    HZ   PHE  74           HZ       PHE  74   7.371  -6.109  -7.406
  524    H    PHE  75           HN       PHE  75   8.333  -8.478   0.574
  525    HA   PHE  75           HA       PHE  75  11.244  -8.064   1.072
  526   1HB   PHE  75           HB2      PHE  75   8.901  -7.408   2.870
  527   2HB   PHE  75           HB3      PHE  75  10.538  -6.814   2.986
  528    HD1  PHE  75           HD2      PHE  75  11.424  -5.523   0.774
  529    HD2  PHE  75           HD1      PHE  75   7.290  -6.069   1.828
  530    HE1  PHE  75           HE2      PHE  75  10.765  -3.875  -0.962
  531    HE2  PHE  75           HE1      PHE  75   6.621  -4.424   0.100
  532    HZ   PHE  75           HZ       PHE  75   8.354  -3.407  -1.372
  533    H    LYS  76           HN       LYS  76   9.563 -10.715   0.928
  534    HA   LYS  76           HA       LYS  76   9.744 -11.705   3.650
  535   1HB   LYS  76           HB2      LYS  76   8.082 -12.376   1.863
  536   2HB   LYS  76           HB3      LYS  76   9.375 -13.336   1.106
  537   1HG   LYS  76           HG2      LYS  76   9.143 -14.996   2.696
  538   2HG   LYS  76           HG3      LYS  76   9.061 -13.839   4.007
  539   1HD   LYS  76           HD2      LYS  76   6.974 -15.091   3.877
  540   2HD   LYS  76           HD3      LYS  76   6.734 -13.356   3.664
  541   1HE   LYS  76           HE2      LYS  76   5.431 -15.066   2.132
  542   2HE   LYS  76           HE3      LYS  76   6.022 -13.545   1.490
  543   1HZ   LYS  76           HNZ2     LYS  76   7.968 -14.753   0.662
  544   2HZ   LYS  76           HNZ3     LYS  76   7.276 -16.186   1.100
  545   3HZ   LYS  76           HNZ1     LYS  76   6.599 -15.198  -0.043
  546    H    LYS  77           HN       LYS  77  11.849 -11.829   0.755
  547    HA   LYS  77           HA       LYS  77  13.853 -13.458   2.020
  548   1HB   LYS  77           HB2      LYS  77  13.761 -14.973   0.326
  549   2HB   LYS  77           HB3      LYS  77  12.071 -14.905   0.802
  550   1HG   LYS  77           HG2      LYS  77  13.358 -13.607  -1.660
  551   2HG   LYS  77           HG3      LYS  77  12.515 -15.144  -1.635
  552   1HD   LYS  77           HD2      LYS  77  10.506 -14.273  -1.876
  553   2HD   LYS  77           HD3      LYS  77  10.748 -13.075  -0.618
  554   1HE   LYS  77           HE2      LYS  77  11.993 -12.752  -3.383
  555   2HE   LYS  77           HE3      LYS  77  10.316 -12.291  -3.067
  556   1HZ   LYS  77           HNZ3     LYS  77  12.571 -11.212  -1.496
  557   2HZ   LYS  77           HNZ1     LYS  77  11.911 -10.437  -2.777
  558   3HZ   LYS  77           HNZ2     LYS  77  11.009 -10.731  -1.459
   
  No H/Q in entry =         557
  Start of MODEL   12
    1   1H    ALA   1           HN1      ALA   1  -2.055  -5.557   8.428
    2   2H    ALA   1           HN2      ALA   1  -2.436  -4.164   9.278
    3   2H    ALA   1           HN3      ALA   1  -2.436  -4.164   9.278
    4    HA   ALA   1           HA       ALA   1  -0.084  -4.664   7.631
    5   1HB   ALA   1           HB2      ALA   1   0.499  -3.393   9.600
    6   2HB   ALA   1           HB3      ALA   1   0.846  -2.728   7.993
    7   3HB   ALA   1           HB1      ALA   1  -0.507  -2.063   8.957
    8    H    TYR   2           HN       TYR   2  -0.404  -1.751   6.759
    9    HA   TYR   2           HA       TYR   2  -2.883  -1.807   5.140
   10   1HB   TYR   2           HB2      TYR   2  -1.039   0.319   6.172
   11   2HB   TYR   2           HB3      TYR   2  -1.912   0.607   4.679
   12    HD1  TYR   2           HD2      TYR   2  -4.378   0.632   4.574
   13    HD2  TYR   2           HD1      TYR   2  -2.302   0.117   8.298
   14    HE1  TYR   2           HE2      TYR   2  -6.438   1.230   5.795
   15    HE2  TYR   2           HE1      TYR   2  -4.385   0.705   9.541
   16    HH   TYR   2           HOH      TYR   2  -7.019   2.283   7.941
   17    H    VAL   3           HN       VAL   3  -2.835  -2.181   3.042
   18    HA   VAL   3           HA       VAL   3  -0.179  -2.331   1.668
   19    HB   VAL   3           HB       VAL   3  -2.144  -4.537   1.316
   20   1HG1  VAL   3           HG12     VAL   3   0.901  -4.259   1.404
   21   2HG1  VAL   3           HG13     VAL   3   0.108  -5.823   1.353
   22   3HG1  VAL   3           HG11     VAL   3  -0.119  -4.691   0.009
   23   1HG2  VAL   3           HG21     VAL   3  -0.468  -4.288   3.787
   24   2HG2  VAL   3           HG22     VAL   3  -2.230  -4.519   3.688
   25   3HG2  VAL   3           HG23     VAL   3  -1.127  -5.825   3.224
   26    H    ILE   4           HN       ILE   4  -0.283  -2.709  -0.601
   27    HA   ILE   4           HA       ILE   4  -2.056  -0.813  -1.764
   28    HB   ILE   4           HB       ILE   4   0.467  -1.721  -2.333
   29   1HG1  ILE   4           HG12     ILE   4   0.270  -0.804  -4.635
   30   2HG1  ILE   4           HG13     ILE   4  -1.487  -0.828  -4.542
   31   1HG2  ILE   4           HG23     ILE   4  -0.235  -3.942  -2.816
   32   2HG2  ILE   4           HG21     ILE   4  -1.088  -3.382  -4.287
   33   3HG2  ILE   4           HG22     ILE   4   0.655  -3.143  -4.135
   34   1HD1  ILE   4           HD2      ILE   4   0.246   0.788  -2.619
   35   2HD1  ILE   4           HD3      ILE   4  -0.362   1.423  -4.160
   36   3HD1  ILE   4           HD1      ILE   4  -1.503   0.958  -2.897
   37    H    THR   5           HN       THR   5  -3.441  -1.207  -3.686
   38    HA   THR   5           HA       THR   5  -4.306  -4.036  -4.090
   39    HB   THR   5           HB       THR   5  -6.611  -3.086  -4.572
   40    HG1  THR   5           HOG      THR   5  -5.675  -0.952  -2.933
   41   1HG2  THR   5           HG2      THR   5  -6.082  -4.368  -2.511
   42   2HG2  THR   5           HG3      THR   5  -5.737  -2.821  -1.689
   43   3HG2  THR   5           HG1      THR   5  -7.373  -3.166  -2.308
   44    H    GLU   6           HN       GLU   6  -5.504  -1.108  -5.497
   45    HA   GLU   6           HA       GLU   6  -4.667  -1.970  -8.218
   46   1HB   GLU   6           HB2      GLU   6  -6.326  -3.462  -7.753
   47   2HB   GLU   6           HB3      GLU   6  -7.310  -2.278  -6.964
   48   1HG   GLU   6           HG2      GLU   6  -8.437  -2.501  -8.990
   49   2HG   GLU   6           HG3      GLU   6  -7.419  -1.144  -9.406
   50    HA   PRO   7           HA       PRO   7  -6.835   2.257  -8.632
   51   1HB   PRO   7           HB2      PRO   7  -6.994   3.314  -5.829
   52   2HB   PRO   7           HB3      PRO   7  -8.114   3.543  -7.194
   53   1HG   PRO   7           HG2      PRO   7  -8.534   1.792  -5.080
   54   2HG   PRO   7           HG3      PRO   7  -9.218   1.553  -6.711
   55   1HD   PRO   7           HD2      PRO   7  -7.060   0.051  -5.391
   56   2HD   PRO   7           HD3      PRO   7  -8.065  -0.332  -6.813
   57    H    CYS   8           HN       CYS   8  -3.895   1.459  -7.770
   58    HA   CYS   8           HA       CYS   8  -2.867   4.201  -8.127
   59   1HB   CYS   8           HB2      CYS   8  -2.458   3.759  -5.853
   60   2HB   CYS   8           HB3      CYS   8  -1.816   2.158  -6.187
   61    H    ILE   9           HN       ILE   9  -3.243   1.093  -9.509
   62    HA   ILE   9           HA       ILE   9  -0.844   0.342 -10.538
   63    HB   ILE   9           HB       ILE   9  -3.513   0.521 -11.886
   64   1HG1  ILE   9           HG12     ILE   9  -3.261  -0.938  -9.803
   65   2HG1  ILE   9           HG13     ILE   9  -3.930  -1.687 -11.254
   66   1HG2  ILE   9           HG22     ILE   9  -0.947  -0.904 -12.754
   67   2HG2  ILE   9           HG23     ILE   9  -2.555  -1.309 -13.407
   68   3HG2  ILE   9           HG21     ILE   9  -1.871   0.294 -13.678
   69   1HD1  ILE   9           HD2      ILE   9  -1.105  -1.949 -10.178
   70   2HD1  ILE   9           HD3      ILE   9  -2.429  -3.105  -9.965
   71   3HD1  ILE   9           HD1      ILE   9  -1.760  -2.834 -11.588
   72    H    GLY  10           HN       GLY  10   0.770   1.428 -11.495
   73   1HA   GLY  10           HA2      GLY  10   1.564   2.580 -13.464
   74   2HA   GLY  10           HA3      GLY  10   0.191   3.679 -13.347
   75    H    THR  11           HN       THR  11   0.705   3.470 -10.244
   76    HA   THR  11           HA       THR  11   1.711   4.637  -8.623
   77    HB   THR  11           HB       THR  11   3.842   5.667 -10.535
   78    HG1  THR  11           HOG      THR  11   3.782   3.378 -10.441
   79   1HG2  THR  11           HG3      THR  11   3.729   5.360  -7.502
   80   2HG2  THR  11           HG1      THR  11   5.115   5.930  -8.453
   81   3HG2  THR  11           HG2      THR  11   3.630   6.894  -8.396
   82    H    LYS  12           HN       LYS  12  -0.265   5.728  -8.648
   83    HA   LYS  12           HA       LYS  12  -1.111   7.413 -10.626
   84   1HB   LYS  12           HB2      LYS  12  -2.490   6.404  -8.764
   85   2HB   LYS  12           HB3      LYS  12  -1.977   7.761  -7.743
   86   1HG   LYS  12           HG2      LYS  12  -2.871   9.285  -9.658
   87   2HG   LYS  12           HG3      LYS  12  -3.628   7.832 -10.298
   88   1HD   LYS  12           HD2      LYS  12  -4.120   9.140  -7.567
   89   2HD   LYS  12           HD3      LYS  12  -5.169   9.198  -8.983
   90   1HE   LYS  12           HE2      LYS  12  -6.239   7.499  -7.840
   91   2HE   LYS  12           HE3      LYS  12  -5.107   6.550  -8.810
   92   1HZ   LYS  12           HNZ3     LYS  12  -3.627   6.773  -6.738
   93   2HZ   LYS  12           HNZ1     LYS  12  -5.024   7.168  -5.939
   94   3HZ   LYS  12           HNZ2     LYS  12  -4.889   5.735  -6.728
   95    H    ASP  13           HN       ASP  13   0.052   8.736  -7.441
   96    HA   ASP  13           HA       ASP  13   0.598  11.362  -8.680
   97   1HB   ASP  13           HB2      ASP  13  -1.804  11.319  -8.781
   98   2HB   ASP  13           HB3      ASP  13  -1.936  10.696  -7.132
   99    H    ALA  14           HN       ALA  14  -0.773  11.184  -5.500
  100    HA   ALA  14           HA       ALA  14   1.292  12.681  -4.493
  101   1HB   ALA  14           HB2      ALA  14  -1.013  12.693  -3.645
  102   2HB   ALA  14           HB3      ALA  14  -0.767  11.082  -2.930
  103   3HB   ALA  14           HB1      ALA  14   0.152  12.477  -2.325
  104    H    SER  15           HN       SER  15   2.748  12.430  -2.675
  105    HA   SER  15           HA       SER  15   4.301   9.977  -2.882
  106   1HB   SER  15           HB2      SER  15   5.786  11.607  -1.445
  107   2HB   SER  15           HB3      SER  15   5.515  11.952  -3.155
  108    HG   SER  15           HOG      SER  15   5.136  13.645  -1.427
  109    H    CYS  16           HN       CYS  16   2.341   8.868  -1.739
  110    HA   CYS  16           HA       CYS  16   1.760   8.987   0.958
  111   1HB   CYS  16           HB2      CYS  16   1.738   6.464   0.875
  112   2HB   CYS  16           HB3      CYS  16   0.659   7.336  -0.178
  113    H    VAL  17           HN       VAL  17   4.663   7.509  -0.443
  114    HA   VAL  17           HA       VAL  17   6.106   6.623   1.664
  115    HB   VAL  17           HB       VAL  17   6.895   6.627  -0.615
  116   1HG1  VAL  17           HG11     VAL  17   6.248   9.118  -1.077
  117   2HG1  VAL  17           HG12     VAL  17   7.854   9.489  -0.421
  118   3HG1  VAL  17           HG13     VAL  17   7.690   8.442  -1.840
  119   1HG2  VAL  17           HG23     VAL  17   8.541   6.310   1.234
  120   2HG2  VAL  17           HG21     VAL  17   9.266   6.995  -0.232
  121   3HG2  VAL  17           HG22     VAL  17   8.934   8.037   1.162
  122    H    GLU  18           HN       GLU  18   5.727  10.174   1.046
  123    HA   GLU  18           HA       GLU  18   7.742  10.872   2.979
  124   1HB   GLU  18           HB2      GLU  18   5.485  12.464   1.693
  125   2HB   GLU  18           HB3      GLU  18   6.674  13.156   2.806
  126   1HG   GLU  18           HG2      GLU  18   8.521  12.476   1.335
  127   2HG   GLU  18           HG3      GLU  18   7.373  11.795   0.176
  128    H    VAL  19           HN       VAL  19   4.330  10.001   3.363
  129    HA   VAL  19           HA       VAL  19   4.145  11.612   5.827
  130    HB   VAL  19           HB       VAL  19   1.878  11.314   5.781
  131   1HG1  VAL  19           HG12     VAL  19   2.799  12.655   3.884
  132   2HG1  VAL  19           HG13     VAL  19   2.600  11.239   2.824
  133   3HG1  VAL  19           HG11     VAL  19   1.188  11.986   3.588
  134   1HG2  VAL  19           HG23     VAL  19   2.346   8.743   4.297
  135   2HG2  VAL  19           HG21     VAL  19   1.323   9.087   5.689
  136   3HG2  VAL  19           HG22     VAL  19   0.820   9.609   4.075
  137    H    CYS  20           HN       CYS  20   5.134   8.403   5.077
  138    HA   CYS  20           HA       CYS  20   3.740   7.121   7.181
  139   1HB   CYS  20           HB2      CYS  20   4.320   6.004   5.150
  140   2HB   CYS  20           HB3      CYS  20   6.033   6.234   5.500
  141    HA   PRO  21           HA       PRO  21   6.489   8.213  10.596
  142   1HB   PRO  21           HB2      PRO  21   5.302   5.692  11.761
  143   2HB   PRO  21           HB3      PRO  21   5.515   7.286  12.531
  144   1HG   PRO  21           HG2      PRO  21   3.080   6.457  11.598
  145   2HG   PRO  21           HG3      PRO  21   3.610   8.157  11.415
  146   1HD   PRO  21           HD2      PRO  21   3.588   5.968   9.355
  147   2HD   PRO  21           HD3      PRO  21   3.219   7.714   9.196
  148    H    VAL  22           HN       VAL  22   6.194   4.869   9.362
  149    HA   VAL  22           HA       VAL  22   9.046   4.323  10.066
  150    HB   VAL  22           HB       VAL  22   7.635   3.165  11.626
  151   1HG1  VAL  22           HG11     VAL  22   6.034   2.166   9.260
  152   2HG1  VAL  22           HG12     VAL  22   6.170   1.228  10.745
  153   3HG1  VAL  22           HG13     VAL  22   5.514   2.868  10.793
  154   1HG2  VAL  22           HG21     VAL  22   8.937   1.336   9.589
  155   2HG2  VAL  22           HG22     VAL  22   9.670   2.109  11.006
  156   3HG2  VAL  22           HG23     VAL  22   8.432   0.864  11.222
  157    H    ASP  23           HN       ASP  23   9.216   5.410   7.987
  158    HA   ASP  23           HA       ASP  23   8.095   4.829   5.663
  159   1HB   ASP  23           HB2      ASP  23   9.344   6.438   5.089
  160   2HB   ASP  23           HB3      ASP  23  10.431   6.114   6.419
  161    H    CYS  24           HN       CYS  24   7.583   3.003   4.772
  162    HA   CYS  24           HA       CYS  24   9.588   0.987   4.019
  163   1HB   CYS  24           HB2      CYS  24   8.285  -0.871   4.924
  164   2HB   CYS  24           HB3      CYS  24   8.779   0.220   6.232
  165    HG   CYS  24           HSG      CYS  24   6.593   1.510   6.433
  166    H    ILE  25           HN       ILE  25   8.065   3.045   2.695
  167    HA   ILE  25           HA       ILE  25   6.135   1.564   0.997
  168    HB   ILE  25           HB       ILE  25   6.865   4.505   1.174
  169   1HG1  ILE  25           HG12     ILE  25   4.440   4.818   1.568
  170   2HG1  ILE  25           HG13     ILE  25   4.184   3.079   1.510
  171   1HG2  ILE  25           HG23     ILE  25   5.084   3.053  -0.836
  172   2HG2  ILE  25           HG21     ILE  25   5.147   4.812  -0.638
  173   3HG2  ILE  25           HG22     ILE  25   6.574   3.947  -1.205
  174   1HD1  ILE  25           HD1      ILE  25   5.942   4.465   3.576
  175   2HD1  ILE  25           HD2      ILE  25   4.212   4.116   3.791
  176   3HD1  ILE  25           HD3      ILE  25   5.346   2.780   3.621
  177    H    HIS  26           HN       HIS  26   6.974   0.673  -0.844
  178    HA   HIS  26           HA       HIS  26   9.662   1.487  -1.833
  179   1HB   HIS  26           HB2      HIS  26   8.420  -1.218  -1.324
  180   2HB   HIS  26           HB3      HIS  26   9.990  -0.956  -2.066
  181    HD1  HIS  26           HND      HIS  26  11.400   0.952  -0.056
  182    HD2  HIS  26           HD       HIS  26   8.701  -2.061   1.099
  183    HE1  HIS  26           HE       HIS  26  11.889   0.437   2.393
  184    H    GLU  27           HN       GLU  27   9.896   0.229  -4.081
  185    HA   GLU  27           HA       GLU  27   7.488   1.007  -5.606
  186   1HB   GLU  27           HB2      GLU  27  10.223   0.355  -6.725
  187   2HB   GLU  27           HB3      GLU  27   8.894   1.281  -7.447
  188   1HG   GLU  27           HG2      GLU  27   9.210   2.997  -5.588
  189   2HG   GLU  27           HG3      GLU  27  10.672   2.119  -5.111
  190    H    GLY  28           HN       GLY  28   6.496  -0.353  -7.118
  191   1HA   GLY  28           HA2      GLY  28   7.516  -3.127  -7.471
  192   2HA   GLY  28           HA3      GLY  28   5.791  -2.749  -7.307
  193    H    GLU  29           HN       GLU  29   6.282  -3.943  -9.597
  194    HA   GLU  29           HA       GLU  29   7.389  -2.582 -11.760
  195   1HB   GLU  29           HB2      GLU  29   4.975  -4.485 -11.642
  196   2HB   GLU  29           HB3      GLU  29   5.922  -4.083 -13.040
  197   1HG   GLU  29           HG2      GLU  29   7.047  -6.016 -12.469
  198   2HG   GLU  29           HG3      GLU  29   7.905  -4.993 -11.305
  199    H    ASP  30           HN       ASP  30   4.000  -2.840 -10.785
  200    HA   ASP  30           HA       ASP  30   2.888  -1.103 -12.769
  201   1HB   ASP  30           HB2      ASP  30   0.936  -1.823 -11.196
  202   2HB   ASP  30           HB3      ASP  30   1.564  -2.992 -12.349
  203    H    GLN  31           HN       GLN  31   3.036  -1.316  -9.210
  204    HA   GLN  31           HA       GLN  31   2.753   1.646  -8.934
  205   1HB   GLN  31           HB2      GLN  31   0.872   1.241  -7.281
  206   2HB   GLN  31           HB3      GLN  31   0.475   0.936  -8.970
  207   1HG   GLN  31           HG2      GLN  31   0.890  -1.520  -8.584
  208   2HG   GLN  31           HG3      GLN  31   1.242  -1.113  -6.900
  209   1HE2  GLN  31           HNE2     GLN  31  -2.123  -2.599  -7.073
  210   2HE2  GLN  31           HNE1     GLN  31  -0.472  -3.081  -7.383
  211    H    TYR  32           HN       TYR  32   2.821   2.189  -6.500
  212    HA   TYR  32           HA       TYR  32   5.258   0.905  -5.470
  213   1HB   TYR  32           HB2      TYR  32   3.560   3.242  -4.512
  214   2HB   TYR  32           HB3      TYR  32   4.942   2.554  -3.655
  215    HD1  TYR  32           HD1      TYR  32   5.773   2.425  -7.146
  216    HD2  TYR  32           HD2      TYR  32   5.424   5.133  -3.792
  217    HE1  TYR  32           HE1      TYR  32   7.579   3.803  -8.066
  218    HE2  TYR  32           HE2      TYR  32   7.207   6.547  -4.776
  219    HH   TYR  32           HOH      TYR  32   9.262   5.366  -7.291
  220    H    TYR  33           HN       TYR  33   5.449  -0.030  -3.465
  221    HA   TYR  33           HA       TYR  33   2.997  -1.402  -2.382
  222   1HB   TYR  33           HB2      TYR  33   5.864  -2.333  -2.642
  223   2HB   TYR  33           HB3      TYR  33   4.620  -3.278  -1.902
  224    HD1  TYR  33           HD1      TYR  33   2.689  -2.052  -4.437
  225    HD2  TYR  33           HD2      TYR  33   6.129  -4.607  -3.902
  226    HE1  TYR  33           HE1      TYR  33   2.414  -2.888  -6.683
  227    HE2  TYR  33           HE2      TYR  33   5.632  -5.664  -6.090
  228    HH   TYR  33           HOH      TYR  33   3.328  -4.217  -8.327
  229    H    ILE  34           HN       ILE  34   3.638  -2.357  -0.208
  230    HA   ILE  34           HA       ILE  34   5.237  -0.504   1.472
  231    HB   ILE  34           HB       ILE  34   2.388  -1.442   2.007
  232   1HG1  ILE  34           HG12     ILE  34   2.800   1.434   2.310
  233   2HG1  ILE  34           HG13     ILE  34   3.354   0.962   0.724
  234   1HG2  ILE  34           HG21     ILE  34   4.225   0.154   3.820
  235   2HG2  ILE  34           HG22     ILE  34   2.488  -0.106   4.088
  236   3HG2  ILE  34           HG23     ILE  34   3.580  -1.475   4.119
  237   1HD1  ILE  34           HD3      ILE  34   0.826  -0.332   1.034
  238   2HD1  ILE  34           HD1      ILE  34   0.663   1.306   1.687
  239   3HD1  ILE  34           HD2      ILE  34   1.241   1.058   0.026
  240    H    ASP  35           HN       ASP  35   6.250  -1.747   3.249
  241    HA   ASP  35           HA       ASP  35   5.781  -4.631   3.216
  242   1HB   ASP  35           HB2      ASP  35   8.063  -3.878   3.539
  243   2HB   ASP  35           HB3      ASP  35   7.586  -3.049   5.026
  244    HA   PRO  36           HA       PRO  36   2.511  -3.420   6.098
  245   1HB   PRO  36           HB2      PRO  36   1.297  -5.972   6.350
  246   2HB   PRO  36           HB3      PRO  36   0.885  -4.619   5.295
  247   1HG   PRO  36           HG2      PRO  36   2.335  -7.205   4.751
  248   2HG   PRO  36           HG3      PRO  36   1.532  -6.161   3.552
  249   1HD   PRO  36           HD2      PRO  36   4.340  -6.387   4.112
  250   2HD   PRO  36           HD3      PRO  36   3.527  -5.227   3.032
  251    H    ASP  37           HN       ASP  37   5.027  -5.896   6.719
  252    HA   ASP  37           HA       ASP  37   3.984  -6.672   9.289
  253   1HB   ASP  37           HB2      ASP  37   6.461  -7.150   7.847
  254   2HB   ASP  37           HB3      ASP  37   5.848  -8.056   9.186
  255    H    VAL  38           HN       VAL  38   6.334  -4.558   7.662
  256    HA   VAL  38           HA       VAL  38   7.552  -3.523  10.114
  257    HB   VAL  38           HB       VAL  38   7.527  -2.611   7.217
  258   1HG1  VAL  38           HG12     VAL  38   8.855  -1.358   9.641
  259   2HG1  VAL  38           HG13     VAL  38   9.399  -1.067   7.980
  260   3HG1  VAL  38           HG11     VAL  38   7.754  -0.598   8.459
  261   1HG2  VAL  38           HG21     VAL  38   8.834  -4.690   7.761
  262   2HG2  VAL  38           HG22     VAL  38   9.865  -3.349   7.243
  263   3HG2  VAL  38           HG23     VAL  38   9.749  -3.764   8.967
  264    H    CYS  39           HN       CYS  39   5.056  -2.344   7.757
  265    HA   CYS  39           HA       CYS  39   4.377   0.046   9.085
  266   1HB   CYS  39           HB2      CYS  39   3.518  -0.653   6.871
  267   2HB   CYS  39           HB3      CYS  39   2.747  -1.971   7.658
  268    H    ILE  40           HN       ILE  40   3.001   0.543  10.771
  269    HA   ILE  40           HA       ILE  40   2.475  -1.693  12.680
  270    HB   ILE  40           HB       ILE  40   2.629   0.012  14.397
  271   1HG1  ILE  40           HG12     ILE  40   4.020   2.144  13.440
  272   2HG1  ILE  40           HG13     ILE  40   2.878   1.952  12.116
  273   1HG2  ILE  40           HG23     ILE  40   4.565  -1.355  13.675
  274   2HG2  ILE  40           HG21     ILE  40   5.051  -0.054  12.569
  275   3HG2  ILE  40           HG22     ILE  40   5.037   0.223  14.320
  276   1HD1  ILE  40           HD1      ILE  40   2.148   2.188  15.070
  277   2HD1  ILE  40           HD2      ILE  40   2.089   3.502  13.880
  278   3HD1  ILE  40           HD3      ILE  40   1.004   2.111  13.708
  279    H    ASP  41           HN       ASP  41   0.503  -1.169  10.560
  280    HA   ASP  41           HA       ASP  41  -1.686  -0.555  10.253
  281   1HB   ASP  41           HB2      ASP  41  -1.698  -1.873  12.985
  282   2HB   ASP  41           HB3      ASP  41  -3.198  -1.312  12.236
  283    H    CYS  42           HN       CYS  42  -0.330   1.676  10.655
  284    HA   CYS  42           HA       CYS  42  -1.577   3.243  12.766
  285   1HB   CYS  42           HB2      CYS  42   0.069   4.634  12.558
  286   2HB   CYS  42           HB3      CYS  42   0.884   3.290  11.761
  287    H    GLY  43           HN       GLY  43  -2.188   2.786   9.364
  288   1HA   GLY  43           HA2      GLY  43  -3.735   3.722   7.938
  289   2HA   GLY  43           HA3      GLY  43  -4.414   4.661   9.276
  290    H    ALA  44           HN       ALA  44  -4.271   6.768   8.720
  291    HA   ALA  44           HA       ALA  44  -3.585   8.790   8.033
  292   1HB   ALA  44           HB1      ALA  44  -0.810   7.671   8.585
  293   2HB   ALA  44           HB2      ALA  44  -1.107   9.319   8.021
  294   3HB   ALA  44           HB3      ALA  44  -1.798   8.772   9.559
  295    H    CYS  45           HN       CYS  45  -1.193   6.653   6.441
  296    HA   CYS  45           HA       CYS  45  -1.109   7.962   3.951
  297   1HB   CYS  45           HB2      CYS  45  -0.193   5.903   3.112
  298   2HB   CYS  45           HB3      CYS  45   0.528   6.360   4.641
  299    H    GLU  46           HN       GLU  46  -3.171   5.288   5.049
  300    HA   GLU  46           HA       GLU  46  -4.898   4.735   3.020
  301   1HB   GLU  46           HB2      GLU  46  -5.033   3.832   5.322
  302   2HB   GLU  46           HB3      GLU  46  -5.626   5.391   5.915
  303   1HG   GLU  46           HG2      GLU  46  -7.674   5.143   4.517
  304   2HG   GLU  46           HG3      GLU  46  -7.050   3.601   3.905
  305    H    ALA  47           HN       ALA  47  -5.081   7.685   5.068
  306    HA   ALA  47           HA       ALA  47  -7.585   8.536   3.832
  307   1HB   ALA  47           HB2      ALA  47  -6.777   8.906   6.295
  308   2HB   ALA  47           HB3      ALA  47  -5.861  10.270   5.618
  309   3HB   ALA  47           HB1      ALA  47  -7.626  10.214   5.450
  310    H    VAL  48           HN       VAL  48  -4.097   9.429   3.714
  311    HA   VAL  48           HA       VAL  48  -4.544  11.757   2.161
  312    HB   VAL  48           HB       VAL  48  -2.553  10.805   3.683
  313   1HG1  VAL  48           HG12     VAL  48  -1.677   9.266   1.947
  314   2HG1  VAL  48           HG13     VAL  48  -1.429  10.649   0.849
  315   3HG1  VAL  48           HG11     VAL  48  -0.519  10.537   2.362
  316   1HG2  VAL  48           HG23     VAL  48  -3.035  13.083   3.267
  317   2HG2  VAL  48           HG21     VAL  48  -1.307  12.784   3.016
  318   3HG2  VAL  48           HG22     VAL  48  -2.383  12.983   1.609
  319    H    CYS  49           HN       CYS  49  -3.837   8.369   1.367
  320    HA   CYS  49           HA       CYS  49  -2.967   8.613  -1.226
  321   1HB   CYS  49           HB2      CYS  49  -2.831   6.573   0.064
  322   2HB   CYS  49           HB3      CYS  49  -4.577   6.441   0.057
  323    HA   PRO  50           HA       PRO  50  -6.792  10.225  -2.985
  324   1HB   PRO  50           HB2      PRO  50  -5.690   9.902  -5.692
  325   2HB   PRO  50           HB3      PRO  50  -6.135  11.384  -4.820
  326   1HG   PRO  50           HG2      PRO  50  -3.492  10.510  -5.332
  327   2HG   PRO  50           HG3      PRO  50  -3.977  11.746  -4.151
  328   1HD   PRO  50           HD2      PRO  50  -3.134   8.951  -3.677
  329   2HD   PRO  50           HD3      PRO  50  -3.164  10.351  -2.567
  330    H    VAL  51           HN       VAL  51  -8.422   8.820  -2.932
  331    HA   VAL  51           HA       VAL  51  -9.869   7.206  -3.405
  332    HB   VAL  51           HB       VAL  51  -8.273   6.283  -5.819
  333   1HG1  VAL  51           HG11     VAL  51 -11.263   6.360  -5.191
  334   2HG1  VAL  51           HG12     VAL  51 -10.543   5.819  -6.719
  335   3HG1  VAL  51           HG13     VAL  51 -10.265   4.897  -5.250
  336   1HG2  VAL  51           HG23     VAL  51 -10.188   8.654  -5.627
  337   2HG2  VAL  51           HG21     VAL  51  -8.479   8.722  -6.107
  338   3HG2  VAL  51           HG22     VAL  51  -9.644   7.915  -7.144
  339    H    SER  52           HN       SER  52  -7.474   6.899  -1.705
  340    HA   SER  52           HA       SER  52  -6.319   5.285  -0.581
  341   1HB   SER  52           HB2      SER  52  -9.178   4.390  -0.255
  342   2HB   SER  52           HB3      SER  52  -7.840   4.180   0.895
  343    HG   SER  52           HOG      SER  52  -7.718   6.414   1.133
  344    H    ALA  53           HN       ALA  53  -5.516   4.432  -2.801
  345    HA   ALA  53           HA       ALA  53  -6.179   1.729  -3.560
  346   1HB   ALA  53           HB1      ALA  53  -4.707   3.307  -4.870
  347   2HB   ALA  53           HB2      ALA  53  -3.449   3.087  -3.639
  348   3HB   ALA  53           HB3      ALA  53  -3.991   1.701  -4.608
  349    H    ILE  54           HN       ILE  54  -4.204   3.227  -1.028
  350    HA   ILE  54           HA       ILE  54  -3.187   0.745   0.050
  351    HB   ILE  54           HB       ILE  54  -3.381   3.552   1.208
  352   1HG1  ILE  54           HG12     ILE  54  -1.029   1.974   0.069
  353   2HG1  ILE  54           HG13     ILE  54  -1.917   3.199  -0.831
  354   1HG2  ILE  54           HG21     ILE  54  -2.149   0.954   2.231
  355   2HG2  ILE  54           HG22     ILE  54  -1.663   2.538   2.848
  356   3HG2  ILE  54           HG23     ILE  54  -3.324   2.016   3.046
  357   1HD1  ILE  54           HD2      ILE  54  -0.384   3.824   1.721
  358   2HD1  ILE  54           HD3      ILE  54   0.179   4.084   0.074
  359   3HD1  ILE  54           HD1      ILE  54  -1.241   4.962   0.666
  360    H    TYR  55           HN       TYR  55  -4.571  -0.747   0.868
  361    HA   TYR  55           HA       TYR  55  -6.724   0.076   2.730
  362   1HB   TYR  55           HB2      TYR  55  -6.794  -1.885   0.475
  363   2HB   TYR  55           HB3      TYR  55  -7.959  -1.964   1.800
  364    HD1  TYR  55           HD1      TYR  55  -8.925   0.663   2.294
  365    HD2  TYR  55           HD2      TYR  55  -7.903  -1.163  -1.478
  366    HE1  TYR  55           HE1      TYR  55 -10.573   2.101   1.139
  367    HE2  TYR  55           HE2      TYR  55  -9.607   0.210  -2.610
  368    HH   TYR  55           HOH      TYR  55 -10.680   2.345  -2.345
  369    H    HIS  56           HN       HIS  56  -7.226  -1.497   4.305
  370    HA   HIS  56           HA       HIS  56  -4.798  -2.663   5.280
  371   1HB   HIS  56           HB2      HIS  56  -6.566  -1.670   6.714
  372   2HB   HIS  56           HB3      HIS  56  -7.703  -2.914   6.191
  373    HD1  HIS  56           HND      HIS  56  -7.632  -5.194   7.551
  374    HD2  HIS  56           HD       HIS  56  -4.252  -2.738   7.958
  375    HE1  HIS  56           HE       HIS  56  -5.957  -6.494   8.972
  376    H    GLU  57           HN       GLU  57  -4.157  -4.845   5.447
  377    HA   GLU  57           HA       GLU  57  -4.586  -6.304   3.204
  378   1HB   GLU  57           HB2      GLU  57  -3.435  -8.117   4.463
  379   2HB   GLU  57           HB3      GLU  57  -2.662  -6.543   4.699
  380   1HG   GLU  57           HG2      GLU  57  -3.881  -6.445   6.896
  381   2HG   GLU  57           HG3      GLU  57  -4.298  -8.157   6.612
  382    H    ASP  58           HN       ASP  58  -6.664  -6.534   6.035
  383    HA   ASP  58           HA       ASP  58  -7.870  -8.980   5.009
  384   1HB   ASP  58           HB2      ASP  58  -7.604  -8.578   7.435
  385   2HB   ASP  58           HB3      ASP  58  -8.775  -7.248   7.335
  386    H    PHE  59           HN       PHE  59  -8.738  -5.468   5.236
  387    HA   PHE  59           HA       PHE  59 -11.403  -5.554   4.318
  388   1HB   PHE  59           HB2      PHE  59  -9.134  -3.540   4.071
  389   2HB   PHE  59           HB3      PHE  59 -10.800  -3.258   3.683
  390    HD1  PHE  59           HD2      PHE  59 -10.930  -5.185   6.668
  391    HD2  PHE  59           HD1      PHE  59 -10.035  -1.220   5.178
  392    HE1  PHE  59           HE2      PHE  59 -11.088  -4.281   8.948
  393    HE2  PHE  59           HE1      PHE  59 -10.210  -0.328   7.473
  394    HZ   PHE  59           HZ       PHE  59 -10.714  -1.856   9.372
  395    H    VAL  60           HN       VAL  60  -8.191  -5.523   2.877
  396    HA   VAL  60           HA       VAL  60  -8.763  -5.142   0.186
  397    HB   VAL  60           HB       VAL  60  -6.597  -6.501   1.772
  398   1HG1  VAL  60           HG13     VAL  60  -6.905  -6.772  -1.244
  399   2HG1  VAL  60           HG11     VAL  60  -5.414  -7.029  -0.349
  400   3HG1  VAL  60           HG12     VAL  60  -6.774  -8.104  -0.073
  401   1HG2  VAL  60           HG21     VAL  60  -6.848  -4.061   1.339
  402   2HG2  VAL  60           HG22     VAL  60  -5.361  -4.713   0.659
  403   3HG2  VAL  60           HG23     VAL  60  -6.772  -4.442  -0.396
  404    HA   PRO  61           HA       PRO  61 -11.401  -8.668  -0.551
  405   1HB   PRO  61           HB2      PRO  61 -11.519  -8.551  -3.327
  406   2HB   PRO  61           HB3      PRO  61 -12.438  -7.498  -2.232
  407   1HG   PRO  61           HG2      PRO  61  -9.890  -6.907  -3.717
  408   2HG   PRO  61           HG3      PRO  61 -11.279  -5.821  -3.427
  409   1HD   PRO  61           HD2      PRO  61  -8.922  -5.752  -1.961
  410   2HD   PRO  61           HD3      PRO  61 -10.510  -5.265  -1.288
  411    H    GLU  62           HN       GLU  62 -11.215 -10.911  -1.333
  412    HA   GLU  62           HA       GLU  62  -8.893 -12.235  -1.319
  413   1HB   GLU  62           HB2      GLU  62 -11.675 -12.541  -2.438
  414   2HB   GLU  62           HB3      GLU  62 -10.453 -13.687  -2.853
  415   1HG   GLU  62           HG2      GLU  62 -11.711 -14.339  -0.762
  416   2HG   GLU  62           HG3      GLU  62  -9.986 -14.122  -0.435
  417    H    GLU  63           HN       GLU  63 -10.402 -10.814  -4.161
  418    HA   GLU  63           HA       GLU  63  -8.663 -11.704  -6.151
  419   1HB   GLU  63           HB2      GLU  63 -10.677 -10.416  -6.518
  420   2HB   GLU  63           HB3      GLU  63  -9.939  -8.945  -5.860
  421   1HG   GLU  63           HG2      GLU  63  -8.672  -8.581  -7.740
  422   2HG   GLU  63           HG3      GLU  63  -8.411 -10.300  -8.052
  423    H    TRP  64           HN       TRP  64  -8.173  -9.005  -3.839
  424    HA   TRP  64           HA       TRP  64  -5.443  -8.548  -4.924
  425   1HB   TRP  64           HB2      TRP  64  -7.253  -6.705  -3.394
  426   2HB   TRP  64           HB3      TRP  64  -5.609  -6.334  -3.932
  427    HD1  TRP  64           HD       TRP  64  -5.952  -7.601  -6.887
  428    HE1  TRP  64           HNE      TRP  64  -7.319  -6.371  -8.663
  429    HE3  TRP  64           HE       TRP  64  -8.681  -4.496  -3.851
  430    HZ2  TRP  64           HZ1      TRP  64  -9.562  -4.603  -8.743
  431    HZ3  TRP  64           HZ2      TRP  64 -10.366  -2.982  -4.837
  432    HH2  TRP  64           HH       TRP  64 -10.862  -3.065  -7.271
  433    H    LYS  65           HN       LYS  65  -6.812 -10.211  -2.360
  434    HA   LYS  65           HA       LYS  65  -4.753 -10.000  -0.418
  435   1HB   LYS  65           HB2      LYS  65  -6.560 -12.199  -1.258
  436   2HB   LYS  65           HB3      LYS  65  -4.997 -12.730  -0.681
  437   1HG   LYS  65           HG2      LYS  65  -6.141 -12.743   1.264
  438   2HG   LYS  65           HG3      LYS  65  -5.381 -11.154   1.363
  439   1HD   LYS  65           HD2      LYS  65  -7.586 -10.200   0.434
  440   2HD   LYS  65           HD3      LYS  65  -8.235 -11.848   0.580
  441   1HE   LYS  65           HE2      LYS  65  -7.762 -11.889   2.981
  442   2HE   LYS  65           HE3      LYS  65  -7.173 -10.225   2.868
  443   1HZ   LYS  65           HNZ2     LYS  65  -9.910 -11.153   2.214
  444   2HZ   LYS  65           HNZ3     LYS  65  -9.503 -10.343   3.614
  445   3HZ   LYS  65           HNZ1     LYS  65  -9.401  -9.569   2.178
  446    H    SER  66           HN       SER  66  -4.736 -11.443  -3.690
  447    HA   SER  66           HA       SER  66  -2.252 -12.542  -3.966
  448   1HB   SER  66           HB2      SER  66  -3.506 -10.581  -5.941
  449   2HB   SER  66           HB3      SER  66  -2.483 -11.988  -6.290
  450    HG   SER  66           HOG      SER  66  -5.165 -11.848  -5.900
  451    H    TYR  67           HN       TYR  67  -3.005  -8.990  -4.120
  452    HA   TYR  67           HA       TYR  67  -0.246  -8.265  -4.676
  453   1HB   TYR  67           HB2      TYR  67  -2.793  -6.760  -4.006
  454   2HB   TYR  67           HB3      TYR  67  -1.262  -5.995  -3.658
  455    HD1  TYR  67           HD1      TYR  67   0.499  -5.788  -5.521
  456    HD2  TYR  67           HD2      TYR  67  -3.631  -6.770  -6.271
  457    HE1  TYR  67           HE1      TYR  67   0.811  -5.264  -7.919
  458    HE2  TYR  67           HE2      TYR  67  -3.321  -6.221  -8.671
  459    HH   TYR  67           HOH      TYR  67  -0.195  -5.107 -10.002
  460    H    ILE  68           HN       ILE  68  -2.285  -8.590  -1.709
  461    HA   ILE  68           HA       ILE  68  -0.437  -7.259  -0.085
  462    HB   ILE  68           HB       ILE  68  -2.613  -9.332   0.323
  463   1HG1  ILE  68           HG12     ILE  68  -3.910  -7.657   1.097
  464   2HG1  ILE  68           HG13     ILE  68  -2.571  -6.709   1.723
  465   1HG2  ILE  68           HG23     ILE  68  -0.903  -8.231   2.563
  466   2HG2  ILE  68           HG21     ILE  68  -2.440  -9.117   2.743
  467   3HG2  ILE  68           HG22     ILE  68  -1.041  -9.930   2.054
  468   1HD1  ILE  68           HD1      ILE  68  -2.009  -5.925  -0.597
  469   2HD1  ILE  68           HD2      ILE  68  -3.374  -6.850  -1.213
  470   3HD1  ILE  68           HD3      ILE  68  -3.625  -5.515  -0.117
  471    H    GLN  69           HN       GLN  69  -0.814 -10.726  -0.842
  472    HA   GLN  69           HA       GLN  69   1.573 -11.549   0.510
  473   1HB   GLN  69           HB2      GLN  69  -0.280 -12.664  -1.591
  474   2HB   GLN  69           HB3      GLN  69   1.336 -13.350  -1.480
  475   1HG   GLN  69           HG2      GLN  69  -0.381 -14.522  -0.037
  476   2HG   GLN  69           HG3      GLN  69   1.083 -13.984   0.789
  477   1HE2  GLN  69           HNE2     GLN  69  -2.418 -11.942   1.631
  478   2HE2  GLN  69           HNE1     GLN  69  -2.146 -12.443  -0.025
  479    H    LYS  70           HN       LYS  70   1.069 -10.306  -2.856
  480    HA   LYS  70           HA       LYS  70   3.724 -10.613  -3.660
  481   1HB   LYS  70           HB2      LYS  70   1.666  -9.764  -5.025
  482   2HB   LYS  70           HB3      LYS  70   2.084  -8.168  -4.396
  483   1HG   LYS  70           HG2      LYS  70   4.390  -8.405  -5.331
  484   2HG   LYS  70           HG3      LYS  70   3.907  -9.949  -6.048
  485   1HD   LYS  70           HD2      LYS  70   2.021  -8.637  -7.240
  486   2HD   LYS  70           HD3      LYS  70   2.818  -7.168  -6.641
  487   1HE   LYS  70           HE2      LYS  70   4.998  -8.262  -7.694
  488   2HE   LYS  70           HE3      LYS  70   3.856  -9.258  -8.607
  489   1HZ   LYS  70           HNZ1     LYS  70   2.966  -7.119  -9.495
  490   2HZ   LYS  70           HNZ2     LYS  70   4.134  -6.310  -8.641
  491   3HZ   LYS  70           HNZ3     LYS  70   4.577  -7.350  -9.785
  492    H    ASN  71           HN       ASN  71   2.378  -7.586  -2.147
  493    HA   ASN  71           HA       ASN  71   4.797  -6.209  -1.783
  494   1HB   ASN  71           HB2      ASN  71   2.216  -6.480  -0.176
  495   2HB   ASN  71           HB3      ASN  71   3.516  -5.446   0.372
  496   1HD2  ASN  71           HND2     ASN  71   1.953  -4.250  -3.246
  497   2HD2  ASN  71           HND1     ASN  71   2.320  -5.941  -3.014
  498    H    ARG  72           HN       ARG  72   3.238  -8.670   0.302
  499    HA   ARG  72           HA       ARG  72   5.288  -8.684   2.251
  500   1HB   ARG  72           HB2      ARG  72   2.856 -10.004   1.893
  501   2HB   ARG  72           HB3      ARG  72   4.035 -11.302   1.768
  502   1HG   ARG  72           HG2      ARG  72   4.957 -10.733   3.985
  503   2HG   ARG  72           HG3      ARG  72   4.055  -9.216   3.991
  504   1HD   ARG  72           HD2      ARG  72   2.003 -10.990   3.661
  505   2HD   ARG  72           HD3      ARG  72   3.095 -11.946   4.666
  506    HE   ARG  72           HNE      ARG  72   3.195  -9.777   6.149
  507   1HH1  ARG  72           HN22     ARG  72   0.190 -10.847   4.463
  508   2HH1  ARG  72           HN21     ARG  72  -0.759  -9.764   5.484
  509   1HH2  ARG  72           HN12     ARG  72   1.914  -8.547   7.348
  510   2HH2  ARG  72           HN11     ARG  72   0.122  -8.498   7.090
  511    H    ASP  73           HN       ASP  73   5.113 -10.378  -0.921
  512    HA   ASP  73           HA       ASP  73   7.281 -12.148  -0.287
  513   1HB   ASP  73           HB2      ASP  73   5.304 -11.948  -2.237
  514   2HB   ASP  73           HB3      ASP  73   6.795 -11.708  -3.117
  515    H    PHE  74           HN       PHE  74   6.918  -9.079  -1.930
  516    HA   PHE  74           HA       PHE  74   9.295  -8.852  -3.292
  517   1HB   PHE  74           HB2      PHE  74   7.165  -7.070  -2.340
  518   2HB   PHE  74           HB3      PHE  74   8.703  -6.274  -2.222
  519    HD1  PHE  74           HD2      PHE  74   7.160  -8.669  -4.691
  520    HD2  PHE  74           HD1      PHE  74   9.145  -4.886  -4.071
  521    HE1  PHE  74           HE2      PHE  74   7.285  -8.310  -7.152
  522    HE2  PHE  74           HE1      PHE  74   9.170  -4.498  -6.503
  523    HZ   PHE  74           HZ       PHE  74   8.170  -6.187  -8.051
  524    H    PHE  75           HN       PHE  75   8.833  -8.240   0.166
  525    HA   PHE  75           HA       PHE  75  11.686  -7.403   0.372
  526   1HB   PHE  75           HB2      PHE  75   9.456  -7.009   2.399
  527   2HB   PHE  75           HB3      PHE  75  10.982  -6.161   2.300
  528    HD1  PHE  75           HD1      PHE  75  11.335  -4.986  -0.189
  529    HD2  PHE  75           HD2      PHE  75   7.562  -5.803   1.736
  530    HE1  PHE  75           HE1      PHE  75  10.181  -3.523  -1.822
  531    HE2  PHE  75           HE2      PHE  75   6.412  -4.358   0.097
  532    HZ   PHE  75           HZ       PHE  75   7.708  -3.274  -1.728
  533    H    LYS  76           HN       LYS  76  10.150 -10.200   0.708
  534    HA   LYS  76           HA       LYS  76   8.922 -10.581   2.677
  535   1HB   LYS  76           HB2      LYS  76   9.911 -12.475   1.420
  536   2HB   LYS  76           HB3      LYS  76  11.204 -12.447   2.612
  537   1HG   LYS  76           HG2      LYS  76   9.733 -14.244   3.244
  538   2HG   LYS  76           HG3      LYS  76   9.538 -12.965   4.428
  539   1HD   LYS  76           HD2      LYS  76   7.356 -13.748   3.994
  540   2HD   LYS  76           HD3      LYS  76   7.467 -12.217   3.136
  541   1HE   LYS  76           HE2      LYS  76   8.123 -13.688   1.048
  542   2HE   LYS  76           HE3      LYS  76   7.588 -15.063   2.005
  543   1HZ   LYS  76           HNZ1     LYS  76   5.943 -12.728   1.294
  544   2HZ   LYS  76           HNZ2     LYS  76   5.941 -14.141   0.503
  545   3HZ   LYS  76           HNZ3     LYS  76   5.395 -14.093   2.065
  546    H    LYS  77           HN       LYS  77  11.705 -11.804   4.513
  547    HA   LYS  77           HA       LYS  77  11.588  -9.687   6.438
  548   1HB   LYS  77           HB2      LYS  77  10.602 -12.567   6.762
  549   2HB   LYS  77           HB3      LYS  77  10.920 -11.470   8.075
  550   1HG   LYS  77           HG2      LYS  77   8.762 -10.983   5.940
  551   2HG   LYS  77           HG3      LYS  77   8.513 -11.956   7.361
  552   1HD   LYS  77           HD2      LYS  77   7.604  -9.988   8.090
  553   2HD   LYS  77           HD3      LYS  77   9.198 -10.005   8.831
  554   1HE   LYS  77           HE2      LYS  77   8.667  -7.775   8.117
  555   2HE   LYS  77           HE3      LYS  77   9.973  -8.343   7.087
  556   1HZ   LYS  77           HNZ2     LYS  77   7.124  -8.459   6.261
  557   2HZ   LYS  77           HNZ3     LYS  77   8.126  -7.191   5.917
  558   3HZ   LYS  77           HNZ1     LYS  77   8.494  -8.646   5.340
   
  No H/Q in entry =         557
  Start of MODEL   13
    1   1H    ALA   1           HN1      ALA   1  -2.500  -5.039   8.576
    2   2H    ALA   1           HN2      ALA   1  -3.087  -3.722   9.442
    3   2H    ALA   1           HN3      ALA   1  -3.087  -3.722   9.442
    4    HA   ALA   1           HA       ALA   1  -1.298  -2.356   8.800
    5   1HB   ALA   1           HB3      ALA   1  -0.291  -4.829   7.375
    6   2HB   ALA   1           HB1      ALA   1   0.392  -3.201   7.180
    7   3HB   ALA   1           HB2      ALA   1   0.438  -4.001   8.772
    8    H    TYR   2           HN       TYR   2  -1.109  -1.196   6.779
    9    HA   TYR   2           HA       TYR   2  -3.547  -1.556   5.106
   10   1HB   TYR   2           HB2      TYR   2  -1.946   0.945   5.669
   11   2HB   TYR   2           HB3      TYR   2  -3.425   0.815   4.716
   12    HD1  TYR   2           HD1      TYR   2  -5.614   0.383   5.703
   13    HD2  TYR   2           HD2      TYR   2  -2.081   0.785   8.134
   14    HE1  TYR   2           HE1      TYR   2  -6.999   0.226   7.765
   15    HE2  TYR   2           HE2      TYR   2  -3.509   0.827  10.164
   16    HH   TYR   2           HOH      TYR   2  -5.424  -0.233  10.916
   17    H    VAL   3           HN       VAL   3  -3.303  -2.093   3.043
   18    HA   VAL   3           HA       VAL   3  -0.540  -2.096   1.832
   19    HB   VAL   3           HB       VAL   3  -2.490  -4.332   1.511
   20   1HG1  VAL   3           HG13     VAL   3   0.566  -4.127   1.613
   21   2HG1  VAL   3           HG11     VAL   3  -0.321  -5.636   1.379
   22   3HG1  VAL   3           HG12     VAL   3  -0.432  -4.365   0.159
   23   1HG2  VAL   3           HG23     VAL   3  -0.845  -3.876   3.993
   24   2HG2  VAL   3           HG21     VAL   3  -2.557  -4.324   3.848
   25   3HG2  VAL   3           HG22     VAL   3  -1.302  -5.508   3.460
   26    H    ILE   4           HN       ILE   4  -0.387  -2.249  -0.316
   27    HA   ILE   4           HA       ILE   4  -2.090  -0.472  -1.661
   28    HB   ILE   4           HB       ILE   4   0.483  -1.661  -2.010
   29   1HG1  ILE   4           HG12     ILE   4   0.589  -0.466  -4.202
   30   2HG1  ILE   4           HG13     ILE   4  -1.151  -0.154  -4.135
   31   1HG2  ILE   4           HG23     ILE   4  -0.467  -3.638  -2.785
   32   2HG2  ILE   4           HG21     ILE   4  -1.057  -2.827  -4.273
   33   3HG2  ILE   4           HG22     ILE   4   0.684  -2.854  -3.912
   34   1HD1  ILE   4           HD3      ILE   4   0.523   0.710  -1.776
   35   2HD1  ILE   4           HD1      ILE   4   0.660   1.635  -3.283
   36   3HD1  ILE   4           HD2      ILE   4  -0.917   1.469  -2.490
   37    H    THR   5           HN       THR   5  -3.506  -0.794  -3.515
   38    HA   THR   5           HA       THR   5  -4.096  -3.566  -4.242
   39    HB   THR   5           HB       THR   5  -6.554  -3.083  -4.348
   40    HG1  THR   5           HOG      THR   5  -5.820  -0.840  -2.748
   41   1HG2  THR   5           HG2      THR   5  -5.558  -4.421  -2.504
   42   2HG2  THR   5           HG3      THR   5  -5.538  -2.949  -1.509
   43   3HG2  THR   5           HG1      THR   5  -7.082  -3.615  -2.109
   44    H    GLU   6           HN       GLU   6  -5.382  -3.632  -6.165
   45    HA   GLU   6           HA       GLU   6  -4.671  -2.831  -8.460
   46   1HB   GLU   6           HB2      GLU   6  -6.550  -4.217  -7.934
   47   2HB   GLU   6           HB3      GLU   6  -7.484  -2.801  -7.570
   48   1HG   GLU   6           HG2      GLU   6  -8.156  -3.474  -9.700
   49   2HG   GLU   6           HG3      GLU   6  -7.116  -2.080 -10.017
   50    HA   PRO   7           HA       PRO   7  -6.960   1.304  -9.006
   51   1HB   PRO   7           HB2      PRO   7  -7.432   2.868  -6.683
   52   2HB   PRO   7           HB3      PRO   7  -8.613   1.943  -7.646
   53   1HG   PRO   7           HG2      PRO   7  -7.157   1.095  -5.140
   54   2HG   PRO   7           HG3      PRO   7  -8.864   0.818  -5.575
   55   1HD   PRO   7           HD2      PRO   7  -7.083  -1.149  -5.847
   56   2HD   PRO   7           HD3      PRO   7  -8.277  -0.840  -7.145
   57    H    CYS   8           HN       CYS   8  -4.325   1.091  -6.597
   58    HA   CYS   8           HA       CYS   8  -3.312   3.760  -7.206
   59   1HB   CYS   8           HB2      CYS   8  -2.718   2.751  -5.128
   60   2HB   CYS   8           HB3      CYS   8  -2.120   1.322  -5.954
   61    H    ILE   9           HN       ILE   9  -3.028   0.525  -8.736
   62    HA   ILE   9           HA       ILE   9  -0.593   0.759 -10.014
   63    HB   ILE   9           HB       ILE   9  -3.092  -0.655 -10.877
   64   1HG1  ILE   9           HG12     ILE   9  -0.570  -1.583  -9.458
   65   2HG1  ILE   9           HG13     ILE   9  -2.122  -1.287  -8.651
   66   1HG2  ILE   9           HG23     ILE   9  -0.206  -0.930 -11.862
   67   2HG2  ILE   9           HG21     ILE   9  -1.544  -2.004 -12.319
   68   3HG2  ILE   9           HG22     ILE   9  -1.567  -0.328 -12.826
   69   1HD1  ILE   9           HD2      ILE   9  -3.132  -2.989 -10.195
   70   2HD1  ILE   9           HD3      ILE   9  -1.460  -3.442 -10.639
   71   3HD1  ILE   9           HD1      ILE   9  -1.995  -3.579  -8.952
   72    H    GLY  10           HN       GLY  10   0.111   2.114 -11.611
   73   1HA   GLY  10           HA2      GLY  10   0.025   3.348 -13.569
   74   2HA   GLY  10           HA3      GLY  10  -1.704   3.038 -13.721
   75    H    THR  11           HN       THR  11  -2.165   4.140 -10.856
   76    HA   THR  11           HA       THR  11  -2.162   7.006 -11.384
   77    HB   THR  11           HB       THR  11  -2.368   5.657  -8.656
   78    HG1  THR  11           HOG      THR  11  -4.127   4.751  -9.509
   79   1HG2  THR  11           HG3      THR  11  -2.097   8.157  -8.812
   80   2HG2  THR  11           HG1      THR  11  -3.600   8.209  -9.761
   81   3HG2  THR  11           HG2      THR  11  -3.619   7.631  -8.081
   82    H    LYS  12           HN       LYS  12  -0.267   4.618  -9.578
   83    HA   LYS  12           HA       LYS  12   1.859   4.206  -9.720
   84   1HB   LYS  12           HB2      LYS  12   1.496   5.156 -12.056
   85   2HB   LYS  12           HB3      LYS  12   2.282   6.639 -11.500
   86   1HG   LYS  12           HG2      LYS  12   3.873   4.451 -10.635
   87   2HG   LYS  12           HG3      LYS  12   3.404   4.059 -12.278
   88   1HD   LYS  12           HD2      LYS  12   4.449   5.946 -13.214
   89   2HD   LYS  12           HD3      LYS  12   4.579   6.782 -11.662
   90   1HE   LYS  12           HE2      LYS  12   6.099   4.231 -12.430
   91   2HE   LYS  12           HE3      LYS  12   6.761   5.878 -12.347
   92   1HZ   LYS  12           HNZ3     LYS  12   5.818   5.742  -9.967
   93   2HZ   LYS  12           HNZ1     LYS  12   6.011   4.101 -10.164
   94   3HZ   LYS  12           HNZ2     LYS  12   7.290   5.160 -10.284
   95    H    ASP  13           HN       ASP  13   1.690   7.787  -9.434
   96    HA   ASP  13           HA       ASP  13   3.691   7.720  -7.216
   97   1HB   ASP  13           HB2      ASP  13   3.932   9.099  -9.888
   98   2HB   ASP  13           HB3      ASP  13   4.434   9.990  -8.450
   99    H    ALA  14           HN       ALA  14   2.557   8.508  -5.508
  100    HA   ALA  14           HA       ALA  14   1.833  11.262  -5.615
  101   1HB   ALA  14           HB1      ALA  14  -0.314   9.419  -6.159
  102   2HB   ALA  14           HB2      ALA  14  -0.571  10.099  -4.545
  103   3HB   ALA  14           HB3      ALA  14  -0.381  11.174  -5.927
  104    H    SER  15           HN       SER  15   0.982  11.908  -3.378
  105    HA   SER  15           HA       SER  15   3.244  11.423  -1.853
  106   1HB   SER  15           HB2      SER  15   0.710  12.968  -1.189
  107   2HB   SER  15           HB3      SER  15   2.289  13.187  -0.411
  108    HG   SER  15           HOG      SER  15   3.131  13.987  -2.176
  109    H    CYS  16           HN       CYS  16   1.749   8.862  -1.752
  110    HA   CYS  16           HA       CYS  16   1.164   8.586   1.134
  111   1HB   CYS  16           HB2      CYS  16   1.337   6.200   0.745
  112   2HB   CYS  16           HB3      CYS  16   0.103   7.005  -0.228
  113    H    VAL  17           HN       VAL  17   3.775   7.818  -1.145
  114    HA   VAL  17           HA       VAL  17   5.706   6.776   0.373
  115    HB   VAL  17           HB       VAL  17   5.817   7.154  -2.013
  116   1HG1  VAL  17           HG12     VAL  17   5.287   9.789  -1.683
  117   2HG1  VAL  17           HG13     VAL  17   7.054   9.870  -1.787
  118   3HG1  VAL  17           HG11     VAL  17   6.114   9.133  -3.096
  119   1HG2  VAL  17           HG22     VAL  17   7.844   6.481  -0.779
  120   2HG2  VAL  17           HG23     VAL  17   8.227   7.449  -2.216
  121   3HG2  VAL  17           HG21     VAL  17   8.314   8.184  -0.604
  122    H    GLU  18           HN       GLU  18   5.005  10.254   0.446
  123    HA   GLU  18           HA       GLU  18   7.321  11.097   1.818
  124   1HB   GLU  18           HB2      GLU  18   4.509  12.277   1.766
  125   2HB   GLU  18           HB3      GLU  18   5.966  13.118   2.310
  126   1HG   GLU  18           HG2      GLU  18   6.966  12.946   0.080
  127   2HG   GLU  18           HG3      GLU  18   5.588  12.013  -0.521
  128    H    VAL  19           HN       VAL  19   4.368   9.565   3.121
  129    HA   VAL  19           HA       VAL  19   4.751  11.077   5.604
  130    HB   VAL  19           HB       VAL  19   2.545  10.665   6.116
  131   1HG1  VAL  19           HG12     VAL  19   3.011  12.240   4.231
  132   2HG1  VAL  19           HG13     VAL  19   2.615  10.938   3.088
  133   3HG1  VAL  19           HG11     VAL  19   1.382  11.546   4.204
  134   1HG2  VAL  19           HG21     VAL  19   2.408   8.470   4.006
  135   2HG2  VAL  19           HG22     VAL  19   2.263   8.287   5.758
  136   3HG2  VAL  19           HG23     VAL  19   1.032   9.175   4.855
  137    H    CYS  20           HN       CYS  20   5.387   7.742   4.750
  138    HA   CYS  20           HA       CYS  20   4.237   6.601   6.957
  139   1HB   CYS  20           HB2      CYS  20   4.857   5.385   4.965
  140   2HB   CYS  20           HB3      CYS  20   6.549   5.506   5.437
  141    HA   PRO  21           HA       PRO  21   6.934   7.843  10.352
  142   1HB   PRO  21           HB2      PRO  21   5.418   5.574  11.657
  143   2HB   PRO  21           HB3      PRO  21   5.828   7.176  12.335
  144   1HG   PRO  21           HG2      PRO  21   3.328   6.698  11.385
  145   2HG   PRO  21           HG3      PRO  21   4.151   8.238  10.985
  146   1HD   PRO  21           HD2      PRO  21   3.890   5.762   9.276
  147   2HD   PRO  21           HD3      PRO  21   3.666   7.485   8.843
  148    H    VAL  22           HN       VAL  22   6.544   4.540   9.124
  149    HA   VAL  22           HA       VAL  22   9.228   3.791  10.217
  150    HB   VAL  22           HB       VAL  22   8.419   1.452  10.158
  151   1HG1  VAL  22           HG12     VAL  22   8.440   2.816  12.235
  152   2HG1  VAL  22           HG13     VAL  22   6.738   3.241  11.954
  153   3HG1  VAL  22           HG11     VAL  22   7.206   1.550  12.234
  154   1HG2  VAL  22           HG21     VAL  22   6.507   1.727   8.547
  155   2HG2  VAL  22           HG22     VAL  22   6.034   0.939  10.056
  156   3HG2  VAL  22           HG23     VAL  22   5.628   2.638   9.791
  157    H    ASP  23           HN       ASP  23   8.500   5.261   7.740
  158    HA   ASP  23           HA       ASP  23   9.557   5.526   5.829
  159   1HB   ASP  23           HB2      ASP  23  11.161   3.037   6.550
  160   2HB   ASP  23           HB3      ASP  23  11.533   4.188   5.269
  161    H    CYS  24           HN       CYS  24   8.577   2.126   6.178
  162    HA   CYS  24           HA       CYS  24   9.125   1.535   3.490
  163   1HB   CYS  24           HB2      CYS  24   9.332  -0.020   5.395
  164   2HB   CYS  24           HB3      CYS  24   7.558  -0.185   5.420
  165    HG   CYS  24           HSG      CYS  24   8.831  -2.205   4.183
  166    H    ILE  25           HN       ILE  25   7.694   3.373   2.706
  167    HA   ILE  25           HA       ILE  25   5.711   1.777   1.162
  168    HB   ILE  25           HB       ILE  25   6.032   4.788   1.349
  169   1HG1  ILE  25           HG12     ILE  25   3.324   3.485   1.588
  170   2HG1  ILE  25           HG13     ILE  25   4.439   3.343   2.979
  171   1HG2  ILE  25           HG22     ILE  25   4.396   3.116  -0.611
  172   2HG2  ILE  25           HG23     ILE  25   4.216   4.869  -0.408
  173   3HG2  ILE  25           HG21     ILE  25   5.738   4.212  -1.009
  174   1HD1  ILE  25           HD3      ILE  25   4.661   5.959   2.662
  175   2HD1  ILE  25           HD1      ILE  25   3.177   5.732   1.720
  176   3HD1  ILE  25           HD2      ILE  25   3.202   5.269   3.419
  177    H    HIS  26           HN       HIS  26   7.161   0.802  -0.304
  178    HA   HIS  26           HA       HIS  26   9.506   2.352  -1.271
  179   1HB   HIS  26           HB2      HIS  26  10.753   0.576  -0.984
  180   2HB   HIS  26           HB3      HIS  26   9.611   0.105   0.245
  181    HD1  HIS  26           HND      HIS  26  11.181  -1.109  -2.883
  182    HD2  HIS  26           HD       HIS  26   7.567  -1.681  -0.790
  183    HE1  HIS  26           HE       HIS  26  10.175  -3.311  -3.732
  184    H    GLU  27           HN       GLU  27  10.137   0.893  -3.502
  185    HA   GLU  27           HA       GLU  27   7.849   1.533  -5.219
  186   1HB   GLU  27           HB2      GLU  27  10.632   1.251  -6.275
  187   2HB   GLU  27           HB3      GLU  27   9.404   2.470  -6.626
  188   1HG   GLU  27           HG2      GLU  27  11.084   3.655  -5.623
  189   2HG   GLU  27           HG3      GLU  27  10.096   3.362  -4.195
  190    H    GLY  28           HN       GLY  28   6.992   0.124  -6.662
  191   1HA   GLY  28           HA2      GLY  28   8.572  -2.399  -7.212
  192   2HA   GLY  28           HA3      GLY  28   6.826  -2.308  -7.240
  193    H    GLU  29           HN       GLU  29   6.591  -2.901  -9.360
  194    HA   GLU  29           HA       GLU  29   8.268  -2.198 -11.466
  195   1HB   GLU  29           HB2      GLU  29   5.317  -3.079 -11.463
  196   2HB   GLU  29           HB3      GLU  29   6.437  -3.119 -12.807
  197   1HG   GLU  29           HG2      GLU  29   6.575  -5.304 -12.070
  198   2HG   GLU  29           HG3      GLU  29   7.923  -4.606 -11.168
  199    H    ASP  30           HN       ASP  30   4.942  -1.122 -10.891
  200    HA   ASP  30           HA       ASP  30   5.351   1.399 -12.442
  201   1HB   ASP  30           HB2      ASP  30   3.652   0.001 -13.381
  202   2HB   ASP  30           HB3      ASP  30   2.944  -0.386 -11.817
  203    H    GLN  31           HN       GLN  31   3.174   0.302  -9.948
  204    HA   GLN  31           HA       GLN  31   3.226   2.802  -8.523
  205   1HB   GLN  31           HB2      GLN  31   1.677   1.519  -6.937
  206   2HB   GLN  31           HB3      GLN  31   1.126   1.715  -8.606
  207   1HG   GLN  31           HG2      GLN  31   1.472  -0.536  -9.139
  208   2HG   GLN  31           HG3      GLN  31   2.711  -0.724  -7.906
  209   1HE2  GLN  31           HNE2     GLN  31  -1.063  -0.685  -6.287
  210   2HE2  GLN  31           HNE1     GLN  31  -0.514   0.658  -7.258
  211    H    TYR  32           HN       TYR  32   3.322   2.871  -6.135
  212    HA   TYR  32           HA       TYR  32   5.758   1.622  -5.106
  213   1HB   TYR  32           HB2      TYR  32   3.625   3.386  -3.790
  214   2HB   TYR  32           HB3      TYR  32   5.121   2.881  -3.031
  215    HD1  TYR  32           HD2      TYR  32   7.341   3.460  -4.499
  216    HD2  TYR  32           HD1      TYR  32   3.645   5.654  -4.453
  217    HE1  TYR  32           HE2      TYR  32   8.515   5.428  -5.398
  218    HE2  TYR  32           HE1      TYR  32   4.862   7.685  -5.177
  219    HH   TYR  32           HOH      TYR  32   7.041   8.250  -6.491
  220    H    TYR  33           HN       TYR  33   5.701   0.425  -3.122
  221    HA   TYR  33           HA       TYR  33   3.207  -1.142  -2.579
  222   1HB   TYR  33           HB2      TYR  33   6.052  -2.202  -2.589
  223   2HB   TYR  33           HB3      TYR  33   4.687  -3.065  -1.997
  224    HD1  TYR  33           HD2      TYR  33   5.517  -1.309  -5.258
  225    HD2  TYR  33           HD1      TYR  33   3.969  -4.813  -3.325
  226    HE1  TYR  33           HE2      TYR  33   4.609  -2.052  -7.383
  227    HE2  TYR  33           HE1      TYR  33   3.043  -5.592  -5.464
  228    HH   TYR  33           HOH      TYR  33   4.139  -4.123  -8.455
  229    H    ILE  34           HN       ILE  34   3.636  -2.252  -0.347
  230    HA   ILE  34           HA       ILE  34   5.164  -0.564   1.588
  231    HB   ILE  34           HB       ILE  34   2.238  -1.422   1.657
  232   1HG1  ILE  34           HG12     ILE  34   3.199   1.299   2.489
  233   2HG1  ILE  34           HG13     ILE  34   3.219   0.937   0.763
  234   1HG2  ILE  34           HG21     ILE  34   3.905  -0.500   4.034
  235   2HG2  ILE  34           HG22     ILE  34   2.136  -0.553   4.005
  236   3HG2  ILE  34           HG23     ILE  34   3.047  -2.043   3.844
  237   1HD1  ILE  34           HD2      ILE  34   0.831   0.314   0.826
  238   2HD1  ILE  34           HD3      ILE  34   0.770   0.769   2.546
  239   3HD1  ILE  34           HD1      ILE  34   1.122   1.993   1.313
  240    H    ASP  35           HN       ASP  35   6.048  -2.001   3.305
  241    HA   ASP  35           HA       ASP  35   5.504  -4.851   2.897
  242   1HB   ASP  35           HB2      ASP  35   7.823  -4.417   3.217
  243   2HB   ASP  35           HB3      ASP  35   7.503  -3.596   4.719
  244    HA   PRO  36           HA       PRO  36   2.288  -3.701   5.903
  245   1HB   PRO  36           HB2      PRO  36   0.998  -6.153   6.110
  246   2HB   PRO  36           HB3      PRO  36   0.790  -5.023   4.744
  247   1HG   PRO  36           HG2      PRO  36   2.668  -7.372   4.923
  248   2HG   PRO  36           HG3      PRO  36   1.488  -7.021   3.612
  249   1HD   PRO  36           HD2      PRO  36   4.070  -6.359   3.362
  250   2HD   PRO  36           HD3      PRO  36   2.822  -5.178   2.848
  251    H    ASP  37           HN       ASP  37   4.784  -6.335   6.295
  252    HA   ASP  37           HA       ASP  37   4.048  -6.897   8.994
  253   1HB   ASP  37           HB2      ASP  37   6.375  -7.361   7.302
  254   2HB   ASP  37           HB3      ASP  37   6.116  -8.073   8.855
  255    H    VAL  38           HN       VAL  38   5.866  -4.413   7.300
  256    HA   VAL  38           HA       VAL  38   7.370  -3.550   9.697
  257    HB   VAL  38           HB       VAL  38   7.137  -2.489   6.852
  258   1HG1  VAL  38           HG13     VAL  38   8.511  -1.253   9.257
  259   2HG1  VAL  38           HG11     VAL  38   8.930  -0.862   7.579
  260   3HG1  VAL  38           HG12     VAL  38   7.297  -0.528   8.168
  261   1HG2  VAL  38           HG23     VAL  38   8.569  -4.499   7.198
  262   2HG2  VAL  38           HG21     VAL  38   9.517  -3.072   6.754
  263   3HG2  VAL  38           HG22     VAL  38   9.480  -3.619   8.442
  264    H    CYS  39           HN       CYS  39   4.627  -2.479   7.634
  265    HA   CYS  39           HA       CYS  39   4.074  -0.044   8.819
  266   1HB   CYS  39           HB2      CYS  39   3.005  -0.888   6.813
  267   2HB   CYS  39           HB3      CYS  39   2.237  -2.145   7.767
  268    H    ILE  40           HN       ILE  40   3.472   0.597  10.789
  269    HA   ILE  40           HA       ILE  40   2.803  -1.319  12.892
  270    HB   ILE  40           HB       ILE  40   2.910   0.647  14.332
  271   1HG1  ILE  40           HG12     ILE  40   4.202   2.519  12.546
  272   2HG1  ILE  40           HG13     ILE  40   2.609   2.141  11.881
  273   1HG2  ILE  40           HG21     ILE  40   4.885  -0.710  13.909
  274   2HG2  ILE  40           HG22     ILE  40   5.284   0.261  12.481
  275   3HG2  ILE  40           HG23     ILE  40   5.330   0.994  14.101
  276   1HD1  ILE  40           HD2      ILE  40   3.092   3.010  14.747
  277   2HD1  ILE  40           HD3      ILE  40   2.512   4.047  13.424
  278   3HD1  ILE  40           HD1      ILE  40   1.519   2.671  13.966
  279    H    ASP  41           HN       ASP  41   0.833  -0.494  10.642
  280    HA   ASP  41           HA       ASP  41  -1.345  -0.267  10.309
  281   1HB   ASP  41           HB2      ASP  41  -1.275  -2.272  11.943
  282   2HB   ASP  41           HB3      ASP  41  -1.980  -1.162  13.121
  283    H    CYS  42           HN       CYS  42  -0.413   2.000  10.413
  284    HA   CYS  42           HA       CYS  42  -1.526   3.664  12.568
  285   1HB   CYS  42           HB2      CYS  42   0.027   5.141  12.169
  286   2HB   CYS  42           HB3      CYS  42   0.902   3.710  11.650
  287    H    GLY  43           HN       GLY  43  -2.242   2.999   9.205
  288   1HA   GLY  43           HA2      GLY  43  -4.138   3.539   8.041
  289   2HA   GLY  43           HA3      GLY  43  -4.705   4.486   9.417
  290    H    ALA  44           HN       ALA  44  -2.188   6.189   9.331
  291    HA   ALA  44           HA       ALA  44  -3.273   8.403   8.218
  292   1HB   ALA  44           HB2      ALA  44  -1.290   8.382   9.692
  293   2HB   ALA  44           HB3      ALA  44  -0.285   7.816   8.339
  294   3HB   ALA  44           HB1      ALA  44  -1.042   9.420   8.272
  295    H    CYS  45           HN       CYS  45  -1.049   6.217   6.441
  296    HA   CYS  45           HA       CYS  45  -0.821   7.853   4.141
  297   1HB   CYS  45           HB2      CYS  45  -0.015   5.869   3.020
  298   2HB   CYS  45           HB3      CYS  45   0.793   6.204   4.533
  299    H    GLU  46           HN       GLU  46  -3.174   5.202   4.837
  300    HA   GLU  46           HA       GLU  46  -4.524   5.385   2.332
  301   1HB   GLU  46           HB2      GLU  46  -4.947   3.522   3.866
  302   2HB   GLU  46           HB3      GLU  46  -5.521   4.642   5.110
  303   1HG   GLU  46           HG2      GLU  46  -7.382   3.478   4.179
  304   2HG   GLU  46           HG3      GLU  46  -7.515   5.183   3.769
  305    H    ALA  47           HN       ALA  47  -4.960   7.212   5.373
  306    HA   ALA  47           HA       ALA  47  -7.228   8.693   4.480
  307   1HB   ALA  47           HB3      ALA  47  -6.478   8.630   6.845
  308   2HB   ALA  47           HB1      ALA  47  -5.081   9.645   6.419
  309   3HB   ALA  47           HB2      ALA  47  -6.723  10.281   6.240
  310    H    VAL  48           HN       VAL  48  -3.700   9.192   3.925
  311    HA   VAL  48           HA       VAL  48  -4.136  11.778   2.748
  312    HB   VAL  48           HB       VAL  48  -2.099  10.494   4.003
  313   1HG1  VAL  48           HG11     VAL  48  -1.363   9.403   1.934
  314   2HG1  VAL  48           HG12     VAL  48  -1.177  10.997   1.147
  315   3HG1  VAL  48           HG13     VAL  48  -0.164  10.556   2.535
  316   1HG2  VAL  48           HG23     VAL  48  -2.622  12.795   4.176
  317   2HG2  VAL  48           HG21     VAL  48  -0.910  12.588   3.772
  318   3HG2  VAL  48           HG22     VAL  48  -2.059  13.107   2.513
  319    H    CYS  49           HN       CYS  49  -3.752   8.447   1.564
  320    HA   CYS  49           HA       CYS  49  -2.941   8.819  -1.025
  321   1HB   CYS  49           HB2      CYS  49  -3.174   6.604  -0.005
  322   2HB   CYS  49           HB3      CYS  49  -4.902   6.819   0.027
  323    HA   PRO  50           HA       PRO  50  -6.326  11.516  -2.321
  324   1HB   PRO  50           HB2      PRO  50  -5.269  10.826  -5.070
  325   2HB   PRO  50           HB3      PRO  50  -5.748  12.424  -4.427
  326   1HG   PRO  50           HG2      PRO  50  -3.120  11.737  -4.564
  327   2HG   PRO  50           HG3      PRO  50  -3.753  12.555  -3.102
  328   1HD   PRO  50           HD2      PRO  50  -3.200   9.614  -3.501
  329   2HD   PRO  50           HD3      PRO  50  -2.828  10.675  -2.108
  330    H    VAL  51           HN       VAL  51  -5.742   8.358  -3.836
  331    HA   VAL  51           HA       VAL  51  -8.489   8.154  -4.882
  332    HB   VAL  51           HB       VAL  51  -6.186   6.158  -4.897
  333   1HG1  VAL  51           HG12     VAL  51  -8.810   6.283  -6.453
  334   2HG1  VAL  51           HG13     VAL  51  -7.464   5.194  -6.835
  335   3HG1  VAL  51           HG11     VAL  51  -8.314   5.027  -5.295
  336   1HG2  VAL  51           HG21     VAL  51  -7.066   8.199  -6.988
  337   2HG2  VAL  51           HG22     VAL  51  -5.505   8.161  -6.137
  338   3HG2  VAL  51           HG23     VAL  51  -5.912   6.881  -7.280
  339    H    SER  52           HN       SER  52  -6.708   7.391  -1.974
  340    HA   SER  52           HA       SER  52  -6.937   5.963  -0.273
  341   1HB   SER  52           HB2      SER  52  -9.909   6.034  -0.827
  342   2HB   SER  52           HB3      SER  52  -9.084   5.639   0.692
  343    HG   SER  52           HOG      SER  52  -8.067   7.886   0.216
  344    H    ALA  53           HN       ALA  53  -5.753   4.457  -1.448
  345    HA   ALA  53           HA       ALA  53  -7.204   2.106  -2.628
  346   1HB   ALA  53           HB1      ALA  53  -4.577   3.421  -3.450
  347   2HB   ALA  53           HB2      ALA  53  -5.252   1.953  -4.172
  348   3HB   ALA  53           HB3      ALA  53  -6.105   3.501  -4.352
  349    H    ILE  54           HN       ILE  54  -5.511   3.047   0.087
  350    HA   ILE  54           HA       ILE  54  -3.566   0.807   0.067
  351    HB   ILE  54           HB       ILE  54  -3.726   3.296   1.826
  352   1HG1  ILE  54           HG12     ILE  54  -1.995   2.742  -0.608
  353   2HG1  ILE  54           HG13     ILE  54  -3.274   3.962  -0.466
  354   1HG2  ILE  54           HG22     ILE  54  -1.576   1.162   1.411
  355   2HG2  ILE  54           HG23     ILE  54  -1.391   2.625   2.406
  356   3HG2  ILE  54           HG21     ILE  54  -2.549   1.393   2.870
  357   1HD1  ILE  54           HD3      ILE  54  -1.933   4.932   1.508
  358   2HD1  ILE  54           HD1      ILE  54  -0.566   3.975   0.881
  359   3HD1  ILE  54           HD2      ILE  54  -1.328   5.200  -0.127
  360    H    TYR  55           HN       TYR  55  -5.212  -0.679   0.329
  361    HA   TYR  55           HA       TYR  55  -7.184  -0.309   2.510
  362   1HB   TYR  55           HB2      TYR  55  -6.962  -2.224   0.244
  363   2HB   TYR  55           HB3      TYR  55  -8.288  -2.308   1.422
  364    HD1  TYR  55           HD2      TYR  55  -8.635   0.889   1.514
  365    HD2  TYR  55           HD1      TYR  55  -8.595  -2.110  -1.597
  366    HE1  TYR  55           HE2      TYR  55  -9.902   2.373   0.062
  367    HE2  TYR  55           HE1      TYR  55  -9.837  -0.571  -3.078
  368    HH   TYR  55           HOH      TYR  55 -10.195   2.794  -2.272
  369    H    HIS  56           HN       HIS  56  -7.686  -1.857   4.072
  370    HA   HIS  56           HA       HIS  56  -5.237  -2.807   5.210
  371   1HB   HIS  56           HB2      HIS  56  -7.191  -1.850   6.475
  372   2HB   HIS  56           HB3      HIS  56  -8.113  -3.306   6.093
  373    HD1  HIS  56           HND      HIS  56  -7.610  -5.444   7.605
  374    HD2  HIS  56           HD       HIS  56  -4.878  -2.280   8.005
  375    HE1  HIS  56           HE       HIS  56  -5.818  -6.232   9.233
  376    H    GLU  57           HN       GLU  57  -4.425  -4.904   5.407
  377    HA   GLU  57           HA       GLU  57  -4.759  -6.568   3.283
  378   1HB   GLU  57           HB2      GLU  57  -3.488  -8.194   4.719
  379   2HB   GLU  57           HB3      GLU  57  -2.825  -6.552   4.777
  380   1HG   GLU  57           HG2      GLU  57  -4.181  -6.336   6.952
  381   2HG   GLU  57           HG3      GLU  57  -4.325  -8.107   6.843
  382    H    ASP  58           HN       ASP  58  -6.777  -6.631   6.112
  383    HA   ASP  58           HA       ASP  58  -7.915  -9.265   5.624
  384   1HB   ASP  58           HB2      ASP  58  -7.822  -8.276   7.880
  385   2HB   ASP  58           HB3      ASP  58  -8.871  -6.940   7.359
  386    H    PHE  59           HN       PHE  59  -8.969  -5.845   5.213
  387    HA   PHE  59           HA       PHE  59 -11.560  -6.269   4.195
  388   1HB   PHE  59           HB2      PHE  59  -9.525  -4.009   4.036
  389   2HB   PHE  59           HB3      PHE  59 -11.195  -3.900   3.590
  390    HD1  PHE  59           HD2      PHE  59 -11.295  -5.911   6.520
  391    HD2  PHE  59           HD1      PHE  59 -10.588  -1.843   5.212
  392    HE1  PHE  59           HE2      PHE  59 -11.577  -5.127   8.810
  393    HE2  PHE  59           HE1      PHE  59 -10.921  -1.060   7.538
  394    HZ   PHE  59           HZ       PHE  59 -11.386  -2.698   9.351
  395    H    VAL  60           HN       VAL  60  -8.338  -5.959   2.860
  396    HA   VAL  60           HA       VAL  60  -8.770  -5.446   0.162
  397    HB   VAL  60           HB       VAL  60  -6.683  -6.898   1.767
  398   1HG1  VAL  60           HG13     VAL  60  -6.808  -6.948  -1.286
  399   2HG1  VAL  60           HG11     VAL  60  -5.401  -7.339  -0.303
  400   3HG1  VAL  60           HG12     VAL  60  -6.818  -8.374  -0.221
  401   1HG2  VAL  60           HG22     VAL  60  -6.996  -4.401   1.342
  402   2HG2  VAL  60           HG23     VAL  60  -5.422  -5.046   0.846
  403   3HG2  VAL  60           HG21     VAL  60  -6.709  -4.801  -0.373
  404    HA   PRO  61           HA       PRO  61 -11.446  -8.881  -0.838
  405   1HB   PRO  61           HB2      PRO  61 -11.167  -8.715  -3.661
  406   2HB   PRO  61           HB3      PRO  61 -12.390  -7.908  -2.659
  407   1HG   PRO  61           HG2      PRO  61  -9.937  -6.800  -3.905
  408   2HG   PRO  61           HG3      PRO  61 -11.411  -5.936  -3.395
  409   1HD   PRO  61           HD2      PRO  61  -8.933  -5.923  -2.027
  410   2HD   PRO  61           HD3      PRO  61 -10.514  -5.475  -1.318
  411    H    GLU  62           HN       GLU  62 -11.148 -11.152  -1.403
  412    HA   GLU  62           HA       GLU  62  -8.826 -12.403  -1.145
  413   1HB   GLU  62           HB2      GLU  62 -11.504 -12.855  -2.480
  414   2HB   GLU  62           HB3      GLU  62 -10.243 -14.027  -2.646
  415   1HG   GLU  62           HG2      GLU  62 -11.724 -14.507  -0.682
  416   2HG   GLU  62           HG3      GLU  62 -10.033 -14.273  -0.209
  417    H    GLU  63           HN       GLU  63 -10.228 -11.314  -4.219
  418    HA   GLU  63           HA       GLU  63  -8.381 -12.192  -6.086
  419   1HB   GLU  63           HB2      GLU  63 -10.428 -10.922  -6.549
  420   2HB   GLU  63           HB3      GLU  63  -9.652  -9.428  -5.977
  421   1HG   GLU  63           HG2      GLU  63  -7.929  -9.694  -7.761
  422   2HG   GLU  63           HG3      GLU  63  -8.749 -11.158  -8.328
  423    H    TRP  64           HN       TRP  64  -8.089  -9.354  -3.925
  424    HA   TRP  64           HA       TRP  64  -5.324  -8.806  -4.859
  425   1HB   TRP  64           HB2      TRP  64  -7.369  -7.057  -3.480
  426   2HB   TRP  64           HB3      TRP  64  -5.756  -6.540  -3.915
  427    HD1  TRP  64           HD       TRP  64  -6.157  -8.347  -6.804
  428    HE1  TRP  64           HNE      TRP  64  -7.788  -7.565  -8.615
  429    HE3  TRP  64           HE       TRP  64  -8.507  -4.548  -4.260
  430    HZ2  TRP  64           HZ1      TRP  64  -9.635  -5.503  -9.018
  431    HZ3  TRP  64           HZ2      TRP  64 -10.085  -3.077  -5.500
  432    HH2  TRP  64           HH       TRP  64 -10.697  -3.617  -7.865
  433    H    LYS  65           HN       LYS  65  -6.801 -10.391  -2.313
  434    HA   LYS  65           HA       LYS  65  -4.780 -10.065  -0.304
  435   1HB   LYS  65           HB2      LYS  65  -6.316 -12.550  -1.092
  436   2HB   LYS  65           HB3      LYS  65  -5.131 -12.429   0.216
  437   1HG   LYS  65           HG2      LYS  65  -6.367 -10.373   1.033
  438   2HG   LYS  65           HG3      LYS  65  -7.677 -10.764  -0.069
  439   1HD   LYS  65           HD2      LYS  65  -8.170 -12.825   1.166
  440   2HD   LYS  65           HD3      LYS  65  -6.597 -12.747   1.981
  441   1HE   LYS  65           HE2      LYS  65  -8.075 -11.942   3.624
  442   2HE   LYS  65           HE3      LYS  65  -7.253 -10.530   2.930
  443   1HZ   LYS  65           HNZ3     LYS  65  -9.991 -11.443   2.231
  444   2HZ   LYS  65           HNZ1     LYS  65  -9.630 -10.144   3.210
  445   3HZ   LYS  65           HNZ2     LYS  65  -9.249 -10.100   1.637
  446    H    SER  66           HN       SER  66  -4.762 -11.619  -3.533
  447    HA   SER  66           HA       SER  66  -2.217 -12.732  -3.626
  448   1HB   SER  66           HB2      SER  66  -3.493 -11.071  -5.840
  449   2HB   SER  66           HB3      SER  66  -2.382 -12.445  -5.992
  450    HG   SER  66           HOG      SER  66  -5.089 -12.401  -5.626
  451    H    TYR  67           HN       TYR  67  -3.116  -9.230  -4.093
  452    HA   TYR  67           HA       TYR  67  -0.370  -8.437  -4.673
  453   1HB   TYR  67           HB2      TYR  67  -2.861  -6.909  -3.738
  454   2HB   TYR  67           HB3      TYR  67  -1.307  -6.145  -3.873
  455    HD1  TYR  67           HD1      TYR  67  -0.241  -7.126  -6.489
  456    HD2  TYR  67           HD2      TYR  67  -4.232  -5.949  -5.374
  457    HE1  TYR  67           HE1      TYR  67  -0.824  -6.807  -8.873
  458    HE2  TYR  67           HE2      TYR  67  -4.810  -5.662  -7.759
  459    HH   TYR  67           HOH      TYR  67  -4.023  -5.610  -9.924
  460    H    ILE  68           HN       ILE  68  -2.428  -8.587  -1.680
  461    HA   ILE  68           HA       ILE  68  -0.484  -7.275  -0.180
  462    HB   ILE  68           HB       ILE  68  -2.767  -9.192   0.343
  463   1HG1  ILE  68           HG12     ILE  68  -3.885  -7.394   1.177
  464   2HG1  ILE  68           HG13     ILE  68  -2.437  -6.532   1.647
  465   1HG2  ILE  68           HG21     ILE  68  -0.937  -8.203   2.544
  466   2HG2  ILE  68           HG22     ILE  68  -2.556  -8.909   2.769
  467   3HG2  ILE  68           HG23     ILE  68  -1.267  -9.894   2.082
  468   1HD1  ILE  68           HD3      ILE  68  -3.456  -6.761  -1.222
  469   2HD1  ILE  68           HD1      ILE  68  -3.594  -5.355  -0.189
  470   3HD1  ILE  68           HD2      ILE  68  -2.018  -5.868  -0.727
  471    H    GLN  69           HN       GLN  69  -0.947 -10.779  -0.843
  472    HA   GLN  69           HA       GLN  69   1.369 -11.720   0.510
  473   1HB   GLN  69           HB2      GLN  69  -0.330 -12.651  -1.805
  474   2HB   GLN  69           HB3      GLN  69   1.158 -13.493  -1.396
  475   1HG   GLN  69           HG2      GLN  69   0.419 -14.036   0.782
  476   2HG   GLN  69           HG3      GLN  69  -0.900 -12.853   0.735
  477   1HE2  GLN  69           HNE2     GLN  69  -3.079 -14.851  -1.294
  478   2HE2  GLN  69           HNE1     GLN  69  -2.547 -13.189  -1.021
  479    H    LYS  70           HN       LYS  70   0.987 -10.223  -2.757
  480    HA   LYS  70           HA       LYS  70   3.702 -10.589  -3.471
  481   1HB   LYS  70           HB2      LYS  70   1.680  -9.808  -4.938
  482   2HB   LYS  70           HB3      LYS  70   2.007  -8.203  -4.308
  483   1HG   LYS  70           HG2      LYS  70   4.270  -8.196  -5.191
  484   2HG   LYS  70           HG3      LYS  70   4.070  -9.859  -5.782
  485   1HD   LYS  70           HD2      LYS  70   2.223  -9.172  -7.246
  486   2HD   LYS  70           HD3      LYS  70   2.314  -7.506  -6.675
  487   1HE   LYS  70           HE2      LYS  70   4.619  -8.962  -8.071
  488   2HE   LYS  70           HE3      LYS  70   3.423  -7.975  -8.921
  489   1HZ   LYS  70           HNZ2     LYS  70   5.212  -6.916  -6.824
  490   2HZ   LYS  70           HNZ3     LYS  70   5.411  -6.766  -8.444
  491   3HZ   LYS  70           HNZ1     LYS  70   4.138  -6.061  -7.739
  492    H    ASN  71           HN       ASN  71   2.196  -7.610  -2.007
  493    HA   ASN  71           HA       ASN  71   4.579  -6.235  -1.544
  494   1HB   ASN  71           HB2      ASN  71   1.888  -6.519  -0.094
  495   2HB   ASN  71           HB3      ASN  71   3.097  -5.464   0.566
  496   1HD2  ASN  71           HND2     ASN  71   1.322  -4.437  -3.028
  497   2HD2  ASN  71           HND1     ASN  71   1.281  -6.105  -2.499
  498    H    ARG  72           HN       ARG  72   3.182  -8.912   0.424
  499    HA   ARG  72           HA       ARG  72   5.347  -8.759   2.301
  500   1HB   ARG  72           HB2      ARG  72   3.193 -10.702   1.529
  501   2HB   ARG  72           HB3      ARG  72   4.612 -11.362   2.313
  502   1HG   ARG  72           HG2      ARG  72   4.392  -9.688   4.147
  503   2HG   ARG  72           HG3      ARG  72   3.052  -8.929   3.272
  504   1HD   ARG  72           HD2      ARG  72   1.677 -10.930   3.622
  505   2HD   ARG  72           HD3      ARG  72   3.022 -11.731   4.446
  506    HE   ARG  72           HNE      ARG  72   3.009  -9.946   6.178
  507   1HH1  ARG  72           HN22     ARG  72  -0.086 -10.223   4.332
  508   2HH1  ARG  72           HN21     ARG  72  -0.864  -9.192   5.549
  509   1HH2  ARG  72           HN12     ARG  72   1.910  -8.685   7.521
  510   2HH2  ARG  72           HN11     ARG  72   0.135  -8.383   7.267
  511    H    ASP  73           HN       ASP  73   4.915 -10.812  -0.638
  512    HA   ASP  73           HA       ASP  73   7.158 -12.334  -0.586
  513   1HB   ASP  73           HB2      ASP  73   5.265 -12.230  -2.338
  514   2HB   ASP  73           HB3      ASP  73   6.146 -10.953  -3.128
  515    H    PHE  74           HN       PHE  74   6.780  -9.144  -1.886
  516    HA   PHE  74           HA       PHE  74   9.215  -8.565  -3.120
  517   1HB   PHE  74           HB2      PHE  74   7.051  -7.039  -1.667
  518   2HB   PHE  74           HB3      PHE  74   8.520  -6.190  -1.991
  519    HD1  PHE  74           HD1      PHE  74   7.533  -8.707  -4.558
  520    HD2  PHE  74           HD2      PHE  74   7.097  -4.618  -3.280
  521    HE1  PHE  74           HE1      PHE  74   7.675  -7.955  -6.904
  522    HE2  PHE  74           HE2      PHE  74   7.194  -3.871  -5.619
  523    HZ   PHE  74           HZ       PHE  74   7.544  -5.524  -7.450
  524    H    PHE  75           HN       PHE  75   8.626  -8.651   0.374
  525    HA   PHE  75           HA       PHE  75  11.551  -8.256   0.790
  526   1HB   PHE  75           HB2      PHE  75   9.274  -7.561   2.691
  527   2HB   PHE  75           HB3      PHE  75  10.961  -7.181   2.871
  528    HD1  PHE  75           HD1      PHE  75   7.916  -6.505   0.911
  529    HD2  PHE  75           HD2      PHE  75  11.788  -5.049   2.072
  530    HE1  PHE  75           HE1      PHE  75   7.196  -4.210   0.353
  531    HE2  PHE  75           HE2      PHE  75  11.041  -2.727   1.609
  532    HZ   PHE  75           HZ       PHE  75   8.681  -2.318   0.930
  533    H    LYS  76           HN       LYS  76   9.676 -10.829   0.585
  534    HA   LYS  76           HA       LYS  76  10.616 -12.023   3.154
  535   1HB   LYS  76           HB2      LYS  76   7.948 -11.362   2.355
  536   2HB   LYS  76           HB3      LYS  76   8.110 -13.052   2.194
  537   1HG   LYS  76           HG2      LYS  76   7.362 -12.689   4.421
  538   2HG   LYS  76           HG3      LYS  76   9.090 -13.022   4.596
  539   1HD   LYS  76           HD2      LYS  76   8.199 -11.091   5.984
  540   2HD   LYS  76           HD3      LYS  76   9.557 -10.632   4.946
  541   1HE   LYS  76           HE2      LYS  76   8.128  -9.446   3.416
  542   2HE   LYS  76           HE3      LYS  76   6.678 -10.252   4.053
  543   1HZ   LYS  76           HNZ1     LYS  76   6.948  -9.025   6.070
  544   2HZ   LYS  76           HNZ2     LYS  76   8.186  -8.070   5.389
  545   3HZ   LYS  76           HNZ3     LYS  76   6.716  -8.031   4.833
  546    H    LYS  77           HN       LYS  77  11.715 -14.000   2.789
  547    HA   LYS  77           HA       LYS  77  10.432 -16.056   1.557
  548   1HB   LYS  77           HB2      LYS  77  12.133 -14.431  -0.221
  549   2HB   LYS  77           HB3      LYS  77  12.799 -16.029   0.017
  550   1HG   LYS  77           HG2      LYS  77  10.830 -17.122  -0.778
  551   2HG   LYS  77           HG3      LYS  77   9.833 -15.687  -0.633
  552   1HD   LYS  77           HD2      LYS  77  12.058 -16.150  -2.677
  553   2HD   LYS  77           HD3      LYS  77  10.323 -16.227  -2.991
  554   1HE   LYS  77           HE2      LYS  77  11.952 -13.736  -2.298
  555   2HE   LYS  77           HE3      LYS  77  11.164 -14.110  -3.831
  556   1HZ   LYS  77           HNZ1     LYS  77   9.689 -13.711  -1.308
  557   2HZ   LYS  77           HNZ2     LYS  77   9.889 -12.527  -2.382
  558   3HZ   LYS  77           HNZ3     LYS  77   9.028 -13.848  -2.796
   
  No H/Q in entry =         557
  Start of MODEL   14
    1   1H    ALA   1           HN1      ALA   1  -2.459  -5.348   8.522
    2   2H    ALA   1           HN2      ALA   1  -2.883  -4.009   9.452
    3   2H    ALA   1           HN3      ALA   1  -2.883  -4.009   9.452
    4    HA   ALA   1           HA       ALA   1  -1.013  -2.783   8.767
    5   1HB   ALA   1           HB3      ALA   1   0.419  -4.717   8.501
    6   2HB   ALA   1           HB1      ALA   1  -0.359  -5.102   6.943
    7   3HB   ALA   1           HB2      ALA   1   0.553  -3.576   7.133
    8    H    TYR   2           HN       TYR   2  -1.106  -1.384   7.031
    9    HA   TYR   2           HA       TYR   2  -3.467  -1.613   5.247
   10   1HB   TYR   2           HB2      TYR   2  -1.814   0.664   6.294
   11   2HB   TYR   2           HB3      TYR   2  -2.795   0.836   4.855
   12    HD1  TYR   2           HD1      TYR   2  -5.258   0.482   4.892
   13    HD2  TYR   2           HD2      TYR   2  -2.920   0.579   8.513
   14    HE1  TYR   2           HE1      TYR   2  -7.221   1.316   6.143
   15    HE2  TYR   2           HE2      TYR   2  -4.888   1.435   9.746
   16    HH   TYR   2           HOH      TYR   2  -6.793   3.262   8.267
   17    H    VAL   3           HN       VAL   3  -3.181  -2.196   3.244
   18    HA   VAL   3           HA       VAL   3  -0.428  -2.178   2.027
   19    HB   VAL   3           HB       VAL   3  -2.360  -4.429   1.657
   20   1HG1  VAL   3           HG11     VAL   3   0.693  -4.186   1.722
   21   2HG1  VAL   3           HG12     VAL   3  -0.180  -5.709   1.511
   22   3HG1  VAL   3           HG13     VAL   3  -0.322  -4.448   0.288
   23   1HG2  VAL   3           HG23     VAL   3  -0.665  -4.066   4.142
   24   2HG2  VAL   3           HG21     VAL   3  -2.395  -4.453   4.003
   25   3HG2  VAL   3           HG22     VAL   3  -1.181  -5.657   3.555
   26    H    ILE   4           HN       ILE   4  -0.411  -2.496  -0.196
   27    HA   ILE   4           HA       ILE   4  -2.098  -0.606  -1.457
   28    HB   ILE   4           HB       ILE   4   0.429  -1.828  -1.894
   29   1HG1  ILE   4           HG12     ILE   4   0.280  -0.761  -4.263
   30   2HG1  ILE   4           HG13     ILE   4  -1.338  -0.227  -3.817
   31   1HG2  ILE   4           HG21     ILE   4  -0.509  -3.833  -2.530
   32   2HG2  ILE   4           HG22     ILE   4  -1.226  -3.114  -4.014
   33   3HG2  ILE   4           HG23     ILE   4   0.521  -3.067  -3.781
   34   1HD1  ILE   4           HD2      ILE   4   1.202   0.348  -2.197
   35   2HD1  ILE   4           HD3      ILE   4   0.464   1.467  -3.343
   36   3HD1  ILE   4           HD1      ILE   4  -0.420   0.999  -1.876
   37    H    THR   5           HN       THR   5  -3.320  -1.056  -3.518
   38    HA   THR   5           HA       THR   5  -4.048  -3.884  -3.944
   39    HB   THR   5           HB       THR   5  -6.377  -3.197  -4.574
   40    HG1  THR   5           HOG      THR   5  -5.845  -0.913  -2.947
   41   1HG2  THR   5           HG2      THR   5  -5.889  -4.337  -2.411
   42   2HG2  THR   5           HG3      THR   5  -5.831  -2.733  -1.637
   43   3HG2  THR   5           HG1      THR   5  -7.335  -3.309  -2.388
   44    H    GLU   6           HN       GLU   6  -5.561  -1.299  -5.537
   45    HA   GLU   6           HA       GLU   6  -4.302  -2.095  -8.122
   46   1HB   GLU   6           HB2      GLU   6  -5.972  -3.681  -7.522
   47   2HB   GLU   6           HB3      GLU   6  -7.102  -2.399  -7.211
   48   1HG   GLU   6           HG2      GLU   6  -7.806  -3.015  -9.301
   49   2HG   GLU   6           HG3      GLU   6  -6.642  -1.796  -9.805
   50    HA   PRO   7           HA       PRO   7  -6.765   1.996  -8.842
   51   1HB   PRO   7           HB2      PRO   7  -6.834   3.103  -6.056
   52   2HB   PRO   7           HB3      PRO   7  -7.945   3.383  -7.415
   53   1HG   PRO   7           HG2      PRO   7  -8.473   1.634  -5.320
   54   2HG   PRO   7           HG3      PRO   7  -9.132   1.429  -6.964
   55   1HD   PRO   7           HD2      PRO   7  -7.098  -0.196  -5.608
   56   2HD   PRO   7           HD3      PRO   7  -8.048  -0.503  -7.084
   57    H    CYS   8           HN       CYS   8  -4.107   1.357  -6.631
   58    HA   CYS   8           HA       CYS   8  -2.669   3.797  -6.908
   59   1HB   CYS   8           HB2      CYS   8  -2.276   2.099  -5.148
   60   2HB   CYS   8           HB3      CYS   8  -1.755   0.972  -6.400
   61    H    ILE   9           HN       ILE   9  -3.100   1.100  -9.180
   62    HA   ILE   9           HA       ILE   9  -0.648   0.633 -10.129
   63    HB   ILE   9           HB       ILE   9  -3.214   0.756 -11.632
   64   1HG1  ILE   9           HG12     ILE   9  -3.041  -0.960  -9.811
   65   2HG1  ILE   9           HG13     ILE   9  -3.390  -1.604 -11.413
   66   1HG2  ILE   9           HG21     ILE   9  -1.383   0.865 -13.330
   67   2HG2  ILE   9           HG22     ILE   9  -0.600  -0.540 -12.576
   68   3HG2  ILE   9           HG23     ILE   9  -2.174  -0.709 -13.372
   69   1HD1  ILE   9           HD1      ILE   9  -0.803  -1.692  -9.843
   70   2HD1  ILE   9           HD2      ILE   9  -1.985  -2.976 -10.011
   71   3HD1  ILE   9           HD3      ILE   9  -1.037  -2.462 -11.434
   72    H    GLY  10           HN       GLY  10   0.981   1.584 -11.105
   73   1HA   GLY  10           HA2      GLY  10   2.118   3.018 -12.467
   74   2HA   GLY  10           HA3      GLY  10   0.617   3.826 -12.919
   75    H    THR  11           HN       THR  11   0.945   3.645  -9.510
   76    HA   THR  11           HA       THR  11   1.567   5.076  -7.884
   77    HB   THR  11           HB       THR  11   3.431   6.531  -9.808
   78    HG1  THR  11           HOG      THR  11   3.833   4.262  -9.843
   79   1HG2  THR  11           HG2      THR  11   3.042   7.522  -7.530
   80   2HG2  THR  11           HG3      THR  11   3.598   5.997  -6.810
   81   3HG2  THR  11           HG1      THR  11   4.709   6.978  -7.788
   82    H    LYS  12           HN       LYS  12  -0.731   5.355  -8.810
   83    HA   LYS  12           HA       LYS  12  -1.456   7.426 -10.489
   84   1HB   LYS  12           HB2      LYS  12  -2.826   5.478  -9.863
   85   2HB   LYS  12           HB3      LYS  12  -3.007   6.143  -8.245
   86   1HG   LYS  12           HG2      LYS  12  -3.957   8.269  -9.688
   87   2HG   LYS  12           HG3      LYS  12  -4.181   7.033 -10.897
   88   1HD   LYS  12           HD2      LYS  12  -6.183   7.523  -9.493
   89   2HD   LYS  12           HD3      LYS  12  -5.722   5.821  -9.506
   90   1HE   LYS  12           HE2      LYS  12  -6.434   6.823  -7.267
   91   2HE   LYS  12           HE3      LYS  12  -4.945   5.894  -7.236
   92   1HZ   LYS  12           HNZ3     LYS  12  -4.958   8.830  -7.510
   93   2HZ   LYS  12           HNZ1     LYS  12  -4.950   8.056  -6.055
   94   3HZ   LYS  12           HNZ2     LYS  12  -3.679   7.897  -7.113
   95    H    ASP  13           HN       ASP  13  -0.782   9.457 -10.177
   96    HA   ASP  13           HA       ASP  13  -1.338  11.597  -9.821
   97   1HB   ASP  13           HB2      ASP  13  -2.812  10.912  -7.279
   98   2HB   ASP  13           HB3      ASP  13  -2.863  12.420  -8.165
   99    H    ALA  14           HN       ALA  14  -0.707  10.021  -6.676
  100    HA   ALA  14           HA       ALA  14   1.514  11.955  -6.112
  101   1HB   ALA  14           HB3      ALA  14  -0.977  11.420  -4.482
  102   2HB   ALA  14           HB1      ALA  14   0.491  11.973  -3.678
  103   3HB   ALA  14           HB2      ALA  14  -0.242  12.972  -4.929
  104    H    SER  15           HN       SER  15   2.037  10.859  -3.475
  105    HA   SER  15           HA       SER  15   2.197   8.014  -3.807
  106   1HB   SER  15           HB2      SER  15   4.323   8.795  -4.903
  107   2HB   SER  15           HB3      SER  15   4.775   9.572  -3.368
  108    HG   SER  15           HOG      SER  15   4.275   6.806  -3.855
  109    H    CYS  16           HN       CYS  16   3.074   7.075  -1.806
  110    HA   CYS  16           HA       CYS  16   1.970   8.478   0.589
  111   1HB   CYS  16           HB2      CYS  16   1.705   6.050   1.333
  112   2HB   CYS  16           HB3      CYS  16   0.545   6.729   0.208
  113    H    VAL  17           HN       VAL  17   4.865   8.044  -0.758
  114    HA   VAL  17           HA       VAL  17   6.411   6.953   1.415
  115    HB   VAL  17           HB       VAL  17   7.043   7.106  -1.005
  116   1HG1  VAL  17           HG11     VAL  17   6.340   9.481  -1.398
  117   2HG1  VAL  17           HG12     VAL  17   7.716  10.020  -0.416
  118   3HG1  VAL  17           HG13     VAL  17   7.994   9.129  -1.922
  119   1HG2  VAL  17           HG22     VAL  17   8.707   6.580   0.723
  120   2HG2  VAL  17           HG23     VAL  17   9.399   7.457  -0.650
  121   3HG2  VAL  17           HG21     VAL  17   9.103   8.306   0.876
  122    H    GLU  18           HN       GLU  18   7.871   8.242   2.786
  123    HA   GLU  18           HA       GLU  18   8.610   9.760   4.137
  124   1HB   GLU  18           HB2      GLU  18   7.255  11.633   2.212
  125   2HB   GLU  18           HB3      GLU  18   8.044  12.225   3.685
  126   1HG   GLU  18           HG2      GLU  18  10.165  11.177   2.992
  127   2HG   GLU  18           HG3      GLU  18   9.402  10.598   1.500
  128    H    VAL  19           HN       VAL  19   5.158   9.954   3.563
  129    HA   VAL  19           HA       VAL  19   4.616  11.327   6.060
  130    HB   VAL  19           HB       VAL  19   2.285  10.948   5.647
  131   1HG1  VAL  19           HG12     VAL  19   3.503  12.700   4.348
  132   2HG1  VAL  19           HG13     VAL  19   3.670  11.552   3.001
  133   3HG1  VAL  19           HG11     VAL  19   2.062  12.080   3.524
  134   1HG2  VAL  19           HG22     VAL  19   3.192   9.000   3.511
  135   2HG2  VAL  19           HG23     VAL  19   2.150   8.663   4.909
  136   3HG2  VAL  19           HG21     VAL  19   1.558   9.669   3.582
  137    H    CYS  20           HN       CYS  20   5.030   7.928   5.246
  138    HA   CYS  20           HA       CYS  20   3.557   6.900   7.430
  139   1HB   CYS  20           HB2      CYS  20   3.925   5.590   5.477
  140   2HB   CYS  20           HB3      CYS  20   5.664   5.763   5.672
  141    HA   PRO  21           HA       PRO  21   6.439   7.873  10.771
  142   1HB   PRO  21           HB2      PRO  21   5.058   5.422  11.909
  143   2HB   PRO  21           HB3      PRO  21   5.506   6.932  12.753
  144   1HG   PRO  21           HG2      PRO  21   2.955   6.565  11.908
  145   2HG   PRO  21           HG3      PRO  21   3.759   8.140  11.621
  146   1HD   PRO  21           HD2      PRO  21   3.350   5.868   9.680
  147   2HD   PRO  21           HD3      PRO  21   3.166   7.634   9.437
  148    H    VAL  22           HN       VAL  22   6.044   4.595   9.465
  149    HA   VAL  22           HA       VAL  22   8.862   3.892  10.192
  150    HB   VAL  22           HB       VAL  22   8.082   1.544  10.298
  151   1HG1  VAL  22           HG13     VAL  22   8.354   2.920  12.336
  152   2HG1  VAL  22           HG11     VAL  22   6.629   3.346  12.269
  153   3HG1  VAL  22           HG12     VAL  22   7.123   1.658  12.512
  154   1HG2  VAL  22           HG21     VAL  22   5.278   2.738  10.077
  155   2HG2  VAL  22           HG22     VAL  22   6.003   1.527   9.007
  156   3HG2  VAL  22           HG23     VAL  22   5.622   1.114  10.673
  157    H    ASP  23           HN       ASP  23   8.332   5.397   7.953
  158    HA   ASP  23           HA       ASP  23   7.463   4.422   5.689
  159   1HB   ASP  23           HB2      ASP  23   8.478   6.598   5.906
  160   2HB   ASP  23           HB3      ASP  23  10.009   5.741   5.664
  161    H    CYS  24           HN       CYS  24   7.464   2.503   4.916
  162    HA   CYS  24           HA       CYS  24   9.988   1.336   3.925
  163   1HB   CYS  24           HB2      CYS  24   9.159   0.188   6.091
  164   2HB   CYS  24           HB3      CYS  24   7.823  -0.433   5.099
  165    HG   CYS  24           HSG      CYS  24   9.594  -1.279   3.199
  166    H    ILE  25           HN       ILE  25   8.197   3.136   2.741
  167    HA   ILE  25           HA       ILE  25   6.391   1.610   0.979
  168    HB   ILE  25           HB       ILE  25   7.020   4.573   1.291
  169   1HG1  ILE  25           HG12     ILE  25   4.545   4.697   1.579
  170   2HG1  ILE  25           HG13     ILE  25   4.457   2.948   1.444
  171   1HG2  ILE  25           HG22     ILE  25   5.374   3.216  -0.886
  172   2HG2  ILE  25           HG23     ILE  25   5.367   4.953  -0.540
  173   3HG2  ILE  25           HG21     ILE  25   6.842   4.192  -1.126
  174   1HD1  ILE  25           HD1      ILE  25   5.953   4.464   3.625
  175   2HD1  ILE  25           HD2      ILE  25   4.300   3.841   3.779
  176   3HD1  ILE  25           HD3      ILE  25   5.637   2.708   3.596
  177    H    HIS  26           HN       HIS  26   7.076   0.785  -0.915
  178    HA   HIS  26           HA       HIS  26   9.689   1.684  -2.061
  179   1HB   HIS  26           HB2      HIS  26   8.619  -1.048  -1.344
  180   2HB   HIS  26           HB3      HIS  26  10.000  -0.809  -2.398
  181    HD1  HIS  26           HND      HIS  26  11.688   1.290  -0.813
  182    HD2  HIS  26           HD       HIS  26   9.414  -1.740   1.010
  183    HE1  HIS  26           HE       HIS  26  12.637   0.980   1.533
  184    H    GLU  27           HN       GLU  27   9.938   0.576  -4.292
  185    HA   GLU  27           HA       GLU  27   7.429   1.131  -5.727
  186   1HB   GLU  27           HB2      GLU  27  10.181   0.701  -6.956
  187   2HB   GLU  27           HB3      GLU  27   8.787   1.568  -7.618
  188   1HG   GLU  27           HG2      GLU  27   9.085   3.265  -5.734
  189   2HG   GLU  27           HG3      GLU  27  10.598   2.448  -5.317
  190    H    GLY  28           HN       GLY  28   6.723  -0.279  -7.485
  191   1HA   GLY  28           HA2      GLY  28   7.709  -3.110  -7.382
  192   2HA   GLY  28           HA3      GLY  28   6.017  -2.597  -7.622
  193    H    GLU  29           HN       GLU  29   6.373  -3.998  -9.561
  194    HA   GLU  29           HA       GLU  29   7.824  -3.494 -11.798
  195   1HB   GLU  29           HB2      GLU  29   4.833  -4.186 -11.572
  196   2HB   GLU  29           HB3      GLU  29   5.858  -4.388 -12.972
  197   1HG   GLU  29           HG2      GLU  29   5.950  -6.525 -12.143
  198   2HG   GLU  29           HG3      GLU  29   7.327  -5.861 -11.256
  199    H    ASP  30           HN       ASP  30   4.654  -2.149 -11.110
  200    HA   ASP  30           HA       ASP  30   5.094   0.226 -12.885
  201   1HB   ASP  30           HB2      ASP  30   3.670  -1.516 -13.907
  202   2HB   ASP  30           HB3      ASP  30   2.580  -1.501 -12.508
  203    H    GLN  31           HN       GLN  31   2.911  -1.080 -10.410
  204    HA   GLN  31           HA       GLN  31   2.370   1.487  -9.167
  205   1HB   GLN  31           HB2      GLN  31   0.936   0.222  -7.730
  206   2HB   GLN  31           HB3      GLN  31   0.849  -0.489  -9.355
  207   1HG   GLN  31           HG2      GLN  31   2.447  -2.260  -8.706
  208   2HG   GLN  31           HG3      GLN  31   2.439  -1.588  -7.080
  209   1HE2  GLN  31           HNE2     GLN  31  -1.221  -2.609  -6.767
  210   2HE2  GLN  31           HNE1     GLN  31  -0.356  -1.084  -6.717
  211    H    TYR  32           HN       TYR  32   2.537   1.452  -6.626
  212    HA   TYR  32           HA       TYR  32   5.308   0.692  -5.792
  213   1HB   TYR  32           HB2      TYR  32   3.370   2.847  -4.873
  214   2HB   TYR  32           HB3      TYR  32   4.677   2.248  -3.862
  215    HD1  TYR  32           HD2      TYR  32   5.544   2.515  -7.447
  216    HD2  TYR  32           HD1      TYR  32   5.379   4.592  -3.662
  217    HE1  TYR  32           HE2      TYR  32   7.241   4.091  -8.239
  218    HE2  TYR  32           HE1      TYR  32   7.040   6.224  -4.509
  219    HH   TYR  32           HOH      TYR  32   8.938   5.579  -7.301
  220    H    TYR  33           HN       TYR  33   5.399   0.193  -3.442
  221    HA   TYR  33           HA       TYR  33   3.080  -1.366  -2.393
  222   1HB   TYR  33           HB2      TYR  33   6.003  -2.200  -2.424
  223   2HB   TYR  33           HB3      TYR  33   4.761  -3.123  -1.655
  224    HD1  TYR  33           HD1      TYR  33   2.588  -3.031  -3.610
  225    HD2  TYR  33           HD2      TYR  33   6.796  -3.615  -4.207
  226    HE1  TYR  33           HE1      TYR  33   2.108  -4.022  -5.796
  227    HE2  TYR  33           HE2      TYR  33   6.315  -4.663  -6.388
  228    HH   TYR  33           HOH      TYR  33   4.759  -4.968  -8.000
  229    H    ILE  34           HN       ILE  34   3.595  -2.104  -0.192
  230    HA   ILE  34           HA       ILE  34   5.203  -0.234   1.461
  231    HB   ILE  34           HB       ILE  34   2.329  -1.216   1.944
  232   1HG1  ILE  34           HG12     ILE  34   2.937   1.674   2.260
  233   2HG1  ILE  34           HG13     ILE  34   2.963   1.074   0.594
  234   1HG2  ILE  34           HG22     ILE  34   4.182   0.206   3.890
  235   2HG2  ILE  34           HG23     ILE  34   2.425   0.068   4.107
  236   3HG2  ILE  34           HG21     ILE  34   3.402  -1.377   4.092
  237   1HD1  ILE  34           HD1      ILE  34   0.675   0.107   0.955
  238   2HD1  ILE  34           HD2      ILE  34   0.655   0.880   2.560
  239   3HD1  ILE  34           HD3      ILE  34   0.761   1.872   1.092
  240    H    ASP  35           HN       ASP  35   6.458  -1.606   2.939
  241    HA   ASP  35           HA       ASP  35   5.978  -4.439   2.876
  242   1HB   ASP  35           HB2      ASP  35   8.196  -3.600   3.401
  243   2HB   ASP  35           HB3      ASP  35   7.570  -2.875   4.894
  244    HA   PRO  36           HA       PRO  36   2.554  -3.734   5.743
  245   1HB   PRO  36           HB2      PRO  36   1.092  -5.937   5.348
  246   2HB   PRO  36           HB3      PRO  36   1.445  -4.849   3.964
  247   1HG   PRO  36           HG2      PRO  36   2.924  -7.343   4.784
  248   2HG   PRO  36           HG3      PRO  36   2.237  -6.991   3.161
  249   1HD   PRO  36           HD2      PRO  36   4.882  -6.494   3.860
  250   2HD   PRO  36           HD3      PRO  36   3.983  -5.511   2.674
  251    H    ASP  37           HN       ASP  37   5.269  -5.807   6.327
  252    HA   ASP  37           HA       ASP  37   4.127  -6.938   8.791
  253   1HB   ASP  37           HB2      ASP  37   6.194  -7.569   6.867
  254   2HB   ASP  37           HB3      ASP  37   6.629  -7.804   8.530
  255    H    VAL  38           HN       VAL  38   6.301  -4.509   7.397
  256    HA   VAL  38           HA       VAL  38   7.329  -3.564   9.948
  257    HB   VAL  38           HB       VAL  38   7.242  -2.440   7.127
  258   1HG1  VAL  38           HG13     VAL  38   8.266  -1.151   9.676
  259   2HG1  VAL  38           HG11     VAL  38   8.875  -0.708   8.078
  260   3HG1  VAL  38           HG12     VAL  38   7.157  -0.487   8.443
  261   1HG2  VAL  38           HG22     VAL  38   8.812  -4.338   7.583
  262   2HG2  VAL  38           HG23     VAL  38   9.662  -2.833   7.204
  263   3HG2  VAL  38           HG21     VAL  38   9.549  -3.388   8.888
  264    H    CYS  39           HN       CYS  39   4.670  -2.541   7.713
  265    HA   CYS  39           HA       CYS  39   3.934  -0.197   8.995
  266   1HB   CYS  39           HB2      CYS  39   2.940  -0.985   6.910
  267   2HB   CYS  39           HB3      CYS  39   2.202  -2.298   7.792
  268    H    ILE  40           HN       ILE  40   3.185   0.328  10.947
  269    HA   ILE  40           HA       ILE  40   2.745  -1.733  12.959
  270    HB   ILE  40           HB       ILE  40   2.652   0.191  14.471
  271   1HG1  ILE  40           HG12     ILE  40   3.704   2.126  12.478
  272   2HG1  ILE  40           HG13     ILE  40   2.002   1.714  12.216
  273   1HG2  ILE  40           HG23     ILE  40   4.750  -0.945  14.050
  274   2HG2  ILE  40           HG21     ILE  40   5.066   0.072  12.635
  275   3HG2  ILE  40           HG22     ILE  40   5.027   0.794  14.257
  276   1HD1  ILE  40           HD2      ILE  40   3.099   2.617  14.890
  277   2HD1  ILE  40           HD3      ILE  40   2.241   3.642  13.714
  278   3HD1  ILE  40           HD1      ILE  40   1.402   2.258  14.455
  279    H    ASP  41           HN       ASP  41   0.586  -0.630  10.804
  280    HA   ASP  41           HA       ASP  41  -1.644  -0.375  10.618
  281   1HB   ASP  41           HB2      ASP  41  -1.673  -1.956  13.207
  282   2HB   ASP  41           HB3      ASP  41  -3.124  -1.187  12.574
  283    H    CYS  42           HN       CYS  42  -1.443   1.805  10.514
  284    HA   CYS  42           HA       CYS  42  -2.300   3.333  12.882
  285   1HB   CYS  42           HB2      CYS  42  -0.667   4.838  12.806
  286   2HB   CYS  42           HB3      CYS  42   0.288   3.428  12.374
  287    H    GLY  43           HN       GLY  43  -2.821   5.697  11.867
  288   1HA   GLY  43           HA2      GLY  43  -4.236   5.297   9.262
  289   2HA   GLY  43           HA3      GLY  43  -5.021   6.103  10.622
  290    H    ALA  44           HN       ALA  44  -3.492   6.730   7.831
  291    HA   ALA  44           HA       ALA  44  -3.074   9.466   8.143
  292   1HB   ALA  44           HB3      ALA  44  -0.476   7.869   8.433
  293   2HB   ALA  44           HB1      ALA  44  -0.551   9.584   7.982
  294   3HB   ALA  44           HB2      ALA  44  -1.123   9.067   9.570
  295    H    CYS  45           HN       CYS  45  -1.352   6.692   6.680
  296    HA   CYS  45           HA       CYS  45  -0.804   7.930   4.216
  297   1HB   CYS  45           HB2      CYS  45  -0.121   5.732   3.501
  298   2HB   CYS  45           HB3      CYS  45   0.509   6.204   5.063
  299    H    GLU  46           HN       GLU  46  -3.603   5.880   5.203
  300    HA   GLU  46           HA       GLU  46  -4.614   5.603   2.515
  301   1HB   GLU  46           HB2      GLU  46  -6.713   5.534   4.554
  302   2HB   GLU  46           HB3      GLU  46  -6.177   4.311   3.413
  303   1HG   GLU  46           HG2      GLU  46  -5.923   3.338   5.470
  304   2HG   GLU  46           HG3      GLU  46  -4.261   3.817   5.130
  305    H    ALA  47           HN       ALA  47  -5.021   7.957   5.111
  306    HA   ALA  47           HA       ALA  47  -7.238   9.367   3.968
  307   1HB   ALA  47           HB3      ALA  47  -6.542   9.593   6.343
  308   2HB   ALA  47           HB1      ALA  47  -5.082  10.465   5.823
  309   3HB   ALA  47           HB2      ALA  47  -6.682  11.157   5.513
  310    H    VAL  48           HN       VAL  48  -3.666   9.808   3.671
  311    HA   VAL  48           HA       VAL  48  -4.090  12.100   1.897
  312    HB   VAL  48           HB       VAL  48  -1.734  12.194   1.591
  313   1HG1  VAL  48           HG13     VAL  48  -3.076  12.346   4.220
  314   2HG1  VAL  48           HG11     VAL  48  -1.317  12.212   4.334
  315   3HG1  VAL  48           HG12     VAL  48  -2.046  13.511   3.380
  316   1HG2  VAL  48           HG21     VAL  48  -1.337   9.621   1.861
  317   2HG2  VAL  48           HG22     VAL  48  -0.131  10.788   2.393
  318   3HG2  VAL  48           HG23     VAL  48  -1.199  10.022   3.587
  319    H    CYS  49           HN       CYS  49  -3.482   8.598   1.384
  320    HA   CYS  49           HA       CYS  49  -2.698   8.642  -1.254
  321   1HB   CYS  49           HB2      CYS  49  -2.852   6.589   0.059
  322   2HB   CYS  49           HB3      CYS  49  -4.594   6.729   0.028
  323    HA   PRO  50           HA       PRO  50  -6.359  10.786  -2.800
  324   1HB   PRO  50           HB2      PRO  50  -5.484  10.670  -5.555
  325   2HB   PRO  50           HB3      PRO  50  -5.464  12.045  -4.430
  326   1HG   PRO  50           HG2      PRO  50  -3.211  10.443  -5.315
  327   2HG   PRO  50           HG3      PRO  50  -3.218  11.870  -4.240
  328   1HD   PRO  50           HD2      PRO  50  -2.889   9.033  -3.626
  329   2HD   PRO  50           HD3      PRO  50  -2.707  10.444  -2.551
  330    H    VAL  51           HN       VAL  51  -8.131   9.582  -2.827
  331    HA   VAL  51           HA       VAL  51  -9.703   8.085  -3.305
  332    HB   VAL  51           HB       VAL  51  -8.312   7.276  -5.882
  333   1HG1  VAL  51           HG11     VAL  51 -11.232   7.443  -5.007
  334   2HG1  VAL  51           HG12     VAL  51 -10.683   7.041  -6.645
  335   3HG1  VAL  51           HG13     VAL  51 -10.311   5.957  -5.308
  336   1HG2  VAL  51           HG21     VAL  51 -10.016   9.753  -5.377
  337   2HG2  VAL  51           HG22     VAL  51  -8.339   9.718  -5.969
  338   3HG2  VAL  51           HG23     VAL  51  -9.634   9.099  -6.984
  339    H    SER  52           HN       SER  52  -7.616   7.503  -1.602
  340    HA   SER  52           HA       SER  52  -6.388   5.696  -0.767
  341   1HB   SER  52           HB2      SER  52  -9.290   5.217  -0.123
  342   2HB   SER  52           HB3      SER  52  -7.877   4.908   0.907
  343    HG   SER  52           HOG      SER  52  -7.502   7.159   0.973
  344    H    ALA  53           HN       ALA  53  -5.678   4.598  -2.690
  345    HA   ALA  53           HA       ALA  53  -6.772   2.013  -3.425
  346   1HB   ALA  53           HB1      ALA  53  -5.069   3.341  -4.772
  347   2HB   ALA  53           HB2      ALA  53  -3.889   3.017  -3.497
  348   3HB   ALA  53           HB3      ALA  53  -4.583   1.665  -4.418
  349    H    ILE  54           HN       ILE  54  -4.714   3.354  -0.871
  350    HA   ILE  54           HA       ILE  54  -3.697   0.893   0.141
  351    HB   ILE  54           HB       ILE  54  -4.087   3.625   1.428
  352   1HG1  ILE  54           HG12     ILE  54  -1.639   2.157   0.360
  353   2HG1  ILE  54           HG13     ILE  54  -2.507   3.460  -0.464
  354   1HG2  ILE  54           HG23     ILE  54  -3.031   0.999   2.488
  355   2HG2  ILE  54           HG21     ILE  54  -2.329   2.504   3.081
  356   3HG2  ILE  54           HG22     ILE  54  -4.051   2.229   3.281
  357   1HD1  ILE  54           HD3      ILE  54  -1.197   3.977   2.239
  358   2HD1  ILE  54           HD1      ILE  54  -0.355   4.094   0.709
  359   3HD1  ILE  54           HD2      ILE  54  -1.751   5.115   1.032
  360    H    TYR  55           HN       TYR  55  -4.871  -0.740   0.992
  361    HA   TYR  55           HA       TYR  55  -7.178  -0.151   2.760
  362   1HB   TYR  55           HB2      TYR  55  -6.985  -2.043   0.459
  363   2HB   TYR  55           HB3      TYR  55  -8.236  -2.209   1.695
  364    HD1  TYR  55           HD1      TYR  55  -9.414   0.309   2.163
  365    HD2  TYR  55           HD2      TYR  55  -7.865  -1.221  -1.559
  366    HE1  TYR  55           HE1      TYR  55 -10.860   1.876   0.903
  367    HE2  TYR  55           HE2      TYR  55  -9.336   0.316  -2.805
  368    HH   TYR  55           HOH      TYR  55 -10.072   2.770  -2.050
  369    H    HIS  56           HN       HIS  56  -7.651  -1.793   4.282
  370    HA   HIS  56           HA       HIS  56  -5.182  -2.808   5.352
  371   1HB   HIS  56           HB2      HIS  56  -7.091  -1.883   6.675
  372   2HB   HIS  56           HB3      HIS  56  -8.051  -3.304   6.247
  373    HD1  HIS  56           HND      HIS  56  -7.510  -5.536   7.655
  374    HD2  HIS  56           HD       HIS  56  -4.772  -2.385   8.137
  375    HE1  HIS  56           HE       HIS  56  -5.710  -6.378   9.245
  376    H    GLU  57           HN       GLU  57  -4.398  -4.933   5.435
  377    HA   GLU  57           HA       GLU  57  -4.726  -6.465   3.228
  378   1HB   GLU  57           HB2      GLU  57  -3.547  -8.205   4.549
  379   2HB   GLU  57           HB3      GLU  57  -2.843  -6.598   4.758
  380   1HG   GLU  57           HG2      GLU  57  -4.226  -6.512   6.910
  381   2HG   GLU  57           HG3      GLU  57  -4.428  -8.265   6.662
  382    H    ASP  58           HN       ASP  58  -6.740  -6.672   6.071
  383    HA   ASP  58           HA       ASP  58  -7.941  -9.241   5.462
  384   1HB   ASP  58           HB2      ASP  58  -7.830  -8.364   7.759
  385   2HB   ASP  58           HB3      ASP  58  -8.844  -6.978   7.304
  386    H    PHE  59           HN       PHE  59  -8.954  -5.789   5.179
  387    HA   PHE  59           HA       PHE  59 -11.544  -6.165   4.130
  388   1HB   PHE  59           HB2      PHE  59  -9.492  -3.919   4.062
  389   2HB   PHE  59           HB3      PHE  59 -11.147  -3.791   3.569
  390    HD1  PHE  59           HD2      PHE  59 -11.261  -5.853   6.487
  391    HD2  PHE  59           HD1      PHE  59 -10.679  -1.757   5.200
  392    HE1  PHE  59           HE2      PHE  59 -11.704  -5.074   8.755
  393    HE2  PHE  59           HE1      PHE  59 -11.181  -0.984   7.497
  394    HZ   PHE  59           HZ       PHE  59 -11.673  -2.637   9.289
  395    H    VAL  60           HN       VAL  60  -8.294  -5.859   2.835
  396    HA   VAL  60           HA       VAL  60  -8.774  -5.314   0.125
  397    HB   VAL  60           HB       VAL  60  -6.609  -6.636   1.706
  398   1HG1  VAL  60           HG13     VAL  60  -6.914  -6.968  -1.296
  399   2HG1  VAL  60           HG11     VAL  60  -5.351  -6.942  -0.478
  400   3HG1  VAL  60           HG12     VAL  60  -6.517  -8.203  -0.077
  401   1HG2  VAL  60           HG22     VAL  60  -6.927  -4.206   1.324
  402   2HG2  VAL  60           HG23     VAL  60  -5.417  -4.775   0.594
  403   3HG2  VAL  60           HG21     VAL  60  -6.853  -4.533  -0.429
  404    HA   PRO  61           HA       PRO  61 -11.359  -8.817  -0.832
  405   1HB   PRO  61           HB2      PRO  61 -11.051  -8.626  -3.676
  406   2HB   PRO  61           HB3      PRO  61 -12.360  -7.953  -2.676
  407   1HG   PRO  61           HG2      PRO  61 -10.076  -6.587  -3.931
  408   2HG   PRO  61           HG3      PRO  61 -11.568  -5.878  -3.265
  409   1HD   PRO  61           HD2      PRO  61  -8.983  -5.795  -2.072
  410   2HD   PRO  61           HD3      PRO  61 -10.547  -5.397  -1.284
  411    H    GLU  62           HN       GLU  62 -11.053 -11.078  -1.460
  412    HA   GLU  62           HA       GLU  62  -8.710 -12.307  -1.194
  413   1HB   GLU  62           HB2      GLU  62 -11.379 -12.782  -2.551
  414   2HB   GLU  62           HB3      GLU  62 -10.109 -13.952  -2.675
  415   1HG   GLU  62           HG2      GLU  62 -11.626 -14.414  -0.743
  416   2HG   GLU  62           HG3      GLU  62  -9.945 -14.171  -0.239
  417    H    GLU  63           HN       GLU  63 -10.154 -11.260  -4.257
  418    HA   GLU  63           HA       GLU  63  -8.341 -12.020  -6.181
  419   1HB   GLU  63           HB2      GLU  63 -10.428 -10.794  -6.511
  420   2HB   GLU  63           HB3      GLU  63  -9.694  -9.307  -5.882
  421   1HG   GLU  63           HG2      GLU  63  -8.118  -9.289  -7.778
  422   2HG   GLU  63           HG3      GLU  63  -8.772 -10.830  -8.358
  423    H    TRP  64           HN       TRP  64  -8.028  -9.264  -3.927
  424    HA   TRP  64           HA       TRP  64  -5.284  -8.656  -4.880
  425   1HB   TRP  64           HB2      TRP  64  -7.366  -6.982  -3.471
  426   2HB   TRP  64           HB3      TRP  64  -5.741  -6.428  -3.832
  427    HD1  TRP  64           HD       TRP  64  -6.042  -8.066  -6.832
  428    HE1  TRP  64           HNE      TRP  64  -7.361  -6.968  -8.693
  429    HE3  TRP  64           HE       TRP  64  -8.511  -4.500  -4.086
  430    HZ2  TRP  64           HZ1      TRP  64  -9.325  -4.916  -8.978
  431    HZ3  TRP  64           HZ2      TRP  64 -10.014  -2.902  -5.241
  432    HH2  TRP  64           HH       TRP  64 -10.468  -3.146  -7.679
  433    H    LYS  65           HN       LYS  65  -6.716 -10.302  -2.337
  434    HA   LYS  65           HA       LYS  65  -4.699  -9.974  -0.318
  435   1HB   LYS  65           HB2      LYS  65  -6.231 -12.452  -1.129
  436   2HB   LYS  65           HB3      LYS  65  -5.047 -12.348   0.183
  437   1HG   LYS  65           HG2      LYS  65  -6.266 -10.317   1.039
  438   2HG   LYS  65           HG3      LYS  65  -7.570 -10.644  -0.092
  439   1HD   LYS  65           HD2      LYS  65  -8.137 -12.721   1.073
  440   2HD   LYS  65           HD3      LYS  65  -6.571 -12.723   1.902
  441   1HE   LYS  65           HE2      LYS  65  -8.048 -11.928   3.555
  442   2HE   LYS  65           HE3      LYS  65  -7.163 -10.522   2.923
  443   1HZ   LYS  65           HNZ3     LYS  65  -9.920 -11.322   2.154
  444   2HZ   LYS  65           HNZ1     LYS  65  -9.546 -10.066   3.176
  445   3HZ   LYS  65           HNZ2     LYS  65  -9.131  -9.981   1.615
  446    H    SER  66           HN       SER  66  -4.676 -11.559  -3.533
  447    HA   SER  66           HA       SER  66  -2.165 -12.684  -3.678
  448   1HB   SER  66           HB2      SER  66  -3.397 -10.904  -5.822
  449   2HB   SER  66           HB3      SER  66  -2.359 -12.327  -6.034
  450    HG   SER  66           HOG      SER  66  -5.042 -12.175  -5.724
  451    H    TYR  67           HN       TYR  67  -2.972  -9.150  -4.024
  452    HA   TYR  67           HA       TYR  67  -0.215  -8.397  -4.621
  453   1HB   TYR  67           HB2      TYR  67  -2.688  -6.851  -3.612
  454   2HB   TYR  67           HB3      TYR  67  -1.117  -6.116  -3.723
  455    HD1  TYR  67           HD1      TYR  67   0.063  -6.484  -6.133
  456    HD2  TYR  67           HD2      TYR  67  -4.148  -6.268  -5.371
  457    HE1  TYR  67           HE1      TYR  67  -0.367  -6.107  -8.571
  458    HE2  TYR  67           HE2      TYR  67  -4.552  -5.676  -7.743
  459    HH   TYR  67           HOH      TYR  67  -3.515  -5.072  -9.752
  460    H    ILE  68           HN       ILE  68  -2.225  -8.624  -1.617
  461    HA   ILE  68           HA       ILE  68  -0.320  -7.285  -0.071
  462    HB   ILE  68           HB       ILE  68  -2.530  -9.313   0.416
  463   1HG1  ILE  68           HG12     ILE  68  -3.809  -7.620   1.163
  464   2HG1  ILE  68           HG13     ILE  68  -2.457  -6.696   1.813
  465   1HG2  ILE  68           HG23     ILE  68  -0.746  -8.253   2.615
  466   2HG2  ILE  68           HG21     ILE  68  -2.324  -9.048   2.844
  467   3HG2  ILE  68           HG22     ILE  68  -0.994  -9.954   2.132
  468   1HD1  ILE  68           HD3      ILE  68  -3.244  -6.829  -1.130
  469   2HD1  ILE  68           HD1      ILE  68  -3.523  -5.500  -0.016
  470   3HD1  ILE  68           HD2      ILE  68  -1.893  -5.892  -0.494
  471    H    GLN  69           HN       GLN  69  -0.748 -10.776  -0.759
  472    HA   GLN  69           HA       GLN  69   1.593 -11.707   0.548
  473   1HB   GLN  69           HB2      GLN  69  -0.098 -12.613  -1.794
  474   2HB   GLN  69           HB3      GLN  69   1.368 -13.478  -1.345
  475   1HG   GLN  69           HG2      GLN  69   0.551 -14.020   0.806
  476   2HG   GLN  69           HG3      GLN  69  -0.731 -12.802   0.735
  477   1HE2  GLN  69           HNE2     GLN  69  -2.934 -14.729  -1.326
  478   2HE2  GLN  69           HNE1     GLN  69  -2.378 -13.080  -1.026
  479    H    LYS  70           HN       LYS  70   1.135 -10.317  -2.774
  480    HA   LYS  70           HA       LYS  70   3.819 -10.655  -3.493
  481   1HB   LYS  70           HB2      LYS  70   1.766  -9.904  -4.962
  482   2HB   LYS  70           HB3      LYS  70   2.201  -8.280  -4.463
  483   1HG   LYS  70           HG2      LYS  70   4.443  -8.470  -5.385
  484   2HG   LYS  70           HG3      LYS  70   4.235 -10.188  -5.701
  485   1HD   LYS  70           HD2      LYS  70   4.150  -8.903  -7.748
  486   2HD   LYS  70           HD3      LYS  70   2.623  -9.758  -7.473
  487   1HE   LYS  70           HE2      LYS  70   1.444  -7.836  -7.017
  488   2HE   LYS  70           HE3      LYS  70   2.857  -6.952  -6.410
  489   1HZ   LYS  70           HNZ3     LYS  70   3.425  -7.259  -9.045
  490   2HZ   LYS  70           HNZ1     LYS  70   1.804  -6.938  -9.043
  491   3HZ   LYS  70           HNZ2     LYS  70   2.881  -5.943  -8.291
  492    H    ASN  71           HN       ASN  71   2.395  -7.682  -1.930
  493    HA   ASN  71           HA       ASN  71   4.790  -6.227  -1.762
  494   1HB   ASN  71           HB2      ASN  71   2.376  -6.490   0.106
  495   2HB   ASN  71           HB3      ASN  71   3.684  -5.355   0.396
  496   1HD2  ASN  71           HND2     ASN  71   1.309  -4.536  -2.865
  497   2HD2  ASN  71           HND1     ASN  71   1.552  -6.206  -2.447
  498    H    ARG  72           HN       ARG  72   3.462  -8.733   0.473
  499    HA   ARG  72           HA       ARG  72   5.659  -8.664   2.273
  500   1HB   ARG  72           HB2      ARG  72   3.397 -10.471   1.585
  501   2HB   ARG  72           HB3      ARG  72   4.822 -11.330   2.144
  502   1HG   ARG  72           HG2      ARG  72   4.885 -10.116   4.218
  503   2HG   ARG  72           HG3      ARG  72   3.814  -8.877   3.558
  504   1HD   ARG  72           HD2      ARG  72   1.963 -10.517   3.464
  505   2HD   ARG  72           HD3      ARG  72   2.989 -11.696   4.312
  506    HE   ARG  72           HNE      ARG  72   3.229  -9.841   6.124
  507   1HH1  ARG  72           HN22     ARG  72   0.148 -10.311   4.352
  508   2HH1  ARG  72           HN21     ARG  72  -0.701  -9.319   5.540
  509   1HH2  ARG  72           HN12     ARG  72   2.112  -8.640   7.484
  510   2HH2  ARG  72           HN11     ARG  72   0.338  -8.388   7.302
  511    H    ASP  73           HN       ASP  73   5.171 -10.627  -0.713
  512    HA   ASP  73           HA       ASP  73   7.482 -12.159  -0.468
  513   1HB   ASP  73           HB2      ASP  73   5.410 -12.124  -2.202
  514   2HB   ASP  73           HB3      ASP  73   6.588 -11.328  -3.216
  515    H    PHE  74           HN       PHE  74   6.967  -9.097  -2.041
  516    HA   PHE  74           HA       PHE  74   9.414  -8.659  -3.308
  517   1HB   PHE  74           HB2      PHE  74   7.185  -7.008  -2.300
  518   2HB   PHE  74           HB3      PHE  74   8.698  -6.167  -2.216
  519    HD1  PHE  74           HD1      PHE  74   6.779  -8.368  -4.584
  520    HD2  PHE  74           HD2      PHE  74   9.532  -5.079  -4.165
  521    HE1  PHE  74           HE1      PHE  74   6.751  -8.020  -7.054
  522    HE2  PHE  74           HE2      PHE  74   9.534  -4.768  -6.618
  523    HZ   PHE  74           HZ       PHE  74   8.113  -6.223  -8.062
  524    H    PHE  75           HN       PHE  75   8.722  -8.315   0.179
  525    HA   PHE  75           HA       PHE  75  11.596  -7.609   0.628
  526   1HB   PHE  75           HB2      PHE  75   9.232  -7.221   2.473
  527   2HB   PHE  75           HB3      PHE  75  10.829  -6.526   2.616
  528    HD1  PHE  75           HD2      PHE  75  11.556  -5.189   0.261
  529    HD2  PHE  75           HD1      PHE  75   7.563  -5.776   1.754
  530    HE1  PHE  75           HE2      PHE  75  10.693  -3.587  -1.420
  531    HE2  PHE  75           HE1      PHE  75   6.694  -4.174   0.079
  532    HZ   PHE  75           HZ       PHE  75   8.241  -3.190  -1.605
  533    H    LYS  76           HN       LYS  76  10.126 -10.346   0.328
  534    HA   LYS  76           HA       LYS  76  10.903 -11.539   2.963
  535   1HB   LYS  76           HB2      LYS  76   8.521 -11.675   1.970
  536   2HB   LYS  76           HB3      LYS  76   9.228 -12.828   0.790
  537   1HG   LYS  76           HG2      LYS  76   9.663 -14.411   2.524
  538   2HG   LYS  76           HG3      LYS  76   9.523 -13.194   3.785
  539   1HD   LYS  76           HD2      LYS  76   7.523 -14.716   3.667
  540   2HD   LYS  76           HD3      LYS  76   7.194 -12.982   3.624
  541   1HE   LYS  76           HE2      LYS  76   5.774 -14.329   2.034
  542   2HE   LYS  76           HE3      LYS  76   6.631 -12.963   1.353
  543   1HZ   LYS  76           HNZ3     LYS  76   8.374 -14.792   0.785
  544   2HZ   LYS  76           HNZ1     LYS  76   7.063 -15.791   0.859
  545   3HZ   LYS  76           HNZ2     LYS  76   7.093 -14.529  -0.182
  546    H    LYS  77           HN       LYS  77  11.384 -11.677  -0.585
  547    HA   LYS  77           HA       LYS  77  13.011 -14.138  -0.420
  548   1HB   LYS  77           HB2      LYS  77  10.620 -14.696  -0.064
  549   2HB   LYS  77           HB3      LYS  77  10.147 -13.762  -1.479
  550   1HG   LYS  77           HG2      LYS  77  12.185 -15.785  -2.125
  551   2HG   LYS  77           HG3      LYS  77  10.808 -16.460  -1.250
  552   1HD   LYS  77           HD2      LYS  77  10.350 -16.715  -3.552
  553   2HD   LYS  77           HD3      LYS  77   9.229 -15.501  -2.945
  554   1HE   LYS  77           HE2      LYS  77  11.844 -14.811  -4.406
  555   2HE   LYS  77           HE3      LYS  77  10.318 -15.139  -5.244
  556   1HZ   LYS  77           HNZ2     LYS  77   9.319 -13.319  -4.003
  557   2HZ   LYS  77           HNZ3     LYS  77  10.798 -12.906  -3.391
  558   3HZ   LYS  77           HNZ1     LYS  77  10.548 -12.828  -4.981
   
  No H/Q in entry =         557
  Start of MODEL   15
    1   1H    ALA   1           HN1      ALA   1  -2.406  -4.905   8.162
    2   2H    ALA   1           HN2      ALA   1  -2.343  -3.816   9.395
    3   2H    ALA   1           HN3      ALA   1  -2.343  -3.816   9.395
    4    HA   ALA   1           HA       ALA   1  -1.240  -4.024   6.979
    5   1HB   ALA   1           HB1      ALA   1   0.538  -4.728   7.306
    6   2HB   ALA   1           HB2      ALA   1   0.746  -3.088   6.757
    7   3HB   ALA   1           HB3      ALA   1   0.989  -3.502   8.497
    8    H    TYR   2           HN       TYR   2  -0.404  -1.556   6.208
    9    HA   TYR   2           HA       TYR   2  -3.150  -1.481   5.119
   10   1HB   TYR   2           HB2      TYR   2  -1.502   0.844   5.987
   11   2HB   TYR   2           HB3      TYR   2  -2.450   1.015   4.549
   12    HD1  TYR   2           HD2      TYR   2  -2.699   0.355   8.194
   13    HD2  TYR   2           HD1      TYR   2  -4.870   1.088   4.542
   14    HE1  TYR   2           HE2      TYR   2  -4.794   0.642   9.492
   15    HE2  TYR   2           HE1      TYR   2  -6.945   1.407   5.842
   16    HH   TYR   2           HOH      TYR   2  -7.690   1.973   8.024
   17    H    VAL   3           HN       VAL   3  -2.963  -2.053   2.952
   18    HA   VAL   3           HA       VAL   3  -0.205  -2.360   1.810
   19    HB   VAL   3           HB       VAL   3  -2.420  -4.377   1.526
   20   1HG1  VAL   3           HG13     VAL   3   0.634  -4.506   1.559
   21   2HG1  VAL   3           HG11     VAL   3  -0.425  -5.912   1.427
   22   3HG1  VAL   3           HG12     VAL   3  -0.435  -4.693   0.148
   23   1HG2  VAL   3           HG21     VAL   3  -0.622  -4.195   3.967
   24   2HG2  VAL   3           HG22     VAL   3  -2.403  -4.255   3.911
   25   3HG2  VAL   3           HG23     VAL   3  -1.465  -5.673   3.463
   26    H    ILE   4           HN       ILE   4  -0.112  -2.611  -0.449
   27    HA   ILE   4           HA       ILE   4  -1.799  -0.746  -1.792
   28    HB   ILE   4           HB       ILE   4   0.707  -1.883  -2.254
   29   1HG1  ILE   4           HG12     ILE   4   0.552  -1.004  -4.623
   30   2HG1  ILE   4           HG13     ILE   4  -1.182  -0.790  -4.431
   31   1HG2  ILE   4           HG23     ILE   4  -0.316  -3.998  -2.725
   32   2HG2  ILE   4           HG21     ILE   4  -0.947  -3.355  -4.268
   33   3HG2  ILE   4           HG22     ILE   4   0.802  -3.355  -3.982
   34   1HD1  ILE   4           HD2      ILE   4   0.174   0.559  -2.236
   35   2HD1  ILE   4           HD3      ILE   4   0.897   1.050  -3.777
   36   3HD1  ILE   4           HD1      ILE   4  -0.843   1.249  -3.519
   37    H    THR   5           HN       THR   5  -3.179  -1.219  -3.683
   38    HA   THR   5           HA       THR   5  -3.960  -4.071  -4.011
   39    HB   THR   5           HB       THR   5  -6.239  -3.247  -4.710
   40    HG1  THR   5           HOG      THR   5  -5.612  -0.967  -3.123
   41   1HG2  THR   5           HG1      THR   5  -5.526  -2.990  -1.772
   42   2HG2  THR   5           HG2      THR   5  -7.178  -3.140  -2.419
   43   3HG2  THR   5           HG3      THR   5  -6.024  -4.457  -2.647
   44    H    GLU   6           HN       GLU   6  -5.240  -1.391  -5.710
   45    HA   GLU   6           HA       GLU   6  -4.012  -2.360  -8.236
   46   1HB   GLU   6           HB2      GLU   6  -5.521  -4.011  -7.622
   47   2HB   GLU   6           HB3      GLU   6  -6.763  -2.845  -7.295
   48   1HG   GLU   6           HG2      GLU   6  -7.519  -3.110  -9.386
   49   2HG   GLU   6           HG3      GLU   6  -6.021  -2.432 -10.036
   50    HA   PRO   7           HA       PRO   7  -6.914   1.378  -9.338
   51   1HB   PRO   7           HB2      PRO   7  -7.087   2.767  -6.694
   52   2HB   PRO   7           HB3      PRO   7  -8.282   2.679  -8.012
   53   1HG   PRO   7           HG2      PRO   7  -8.276   1.130  -5.645
   54   2HG   PRO   7           HG3      PRO   7  -9.198   0.741  -7.121
   55   1HD   PRO   7           HD2      PRO   7  -6.979  -0.701  -6.028
   56   2HD   PRO   7           HD3      PRO   7  -7.890  -1.014  -7.526
   57    H    CYS   8           HN       CYS   8  -4.262   1.548  -6.956
   58    HA   CYS   8           HA       CYS   8  -3.294   4.146  -7.633
   59   1HB   CYS   8           HB2      CYS   8  -2.615   2.933  -5.619
   60   2HB   CYS   8           HB3      CYS   8  -1.911   1.678  -6.629
   61    H    ILE   9           HN       ILE   9  -2.984   0.989  -9.259
   62    HA   ILE   9           HA       ILE   9  -0.553   1.009 -10.400
   63    HB   ILE   9           HB       ILE   9  -3.128  -0.002 -11.489
   64   1HG1  ILE   9           HG12     ILE   9  -0.668  -1.362 -10.340
   65   2HG1  ILE   9           HG13     ILE   9  -2.040  -0.882  -9.341
   66   1HG2  ILE   9           HG23     ILE   9  -1.567   0.335 -13.446
   67   2HG2  ILE   9           HG21     ILE   9  -0.295  -0.539 -12.558
   68   3HG2  ILE   9           HG22     ILE   9  -1.769  -1.368 -13.083
   69   1HD1  ILE   9           HD3      ILE   9  -3.504  -2.332 -10.779
   70   2HD1  ILE   9           HD1      ILE   9  -2.019  -2.958 -11.543
   71   3HD1  ILE   9           HD2      ILE   9  -2.275  -3.170  -9.805
   72    H    GLY  10           HN       GLY  10   0.611   2.151 -11.711
   73   1HA   GLY  10           HA2      GLY  10   1.165   3.431 -13.548
   74   2HA   GLY  10           HA3      GLY  10  -0.531   3.795 -13.859
   75    H    THR  11           HN       THR  11  -0.835   4.692 -10.924
   76    HA   THR  11           HA       THR  11  -0.241   7.469 -11.365
   77    HB   THR  11           HB       THR  11  -1.016   6.132  -8.726
   78    HG1  THR  11           HOG      THR  11  -2.505   5.476 -10.113
   79   1HG2  THR  11           HG3      THR  11  -1.165   8.959  -9.816
   80   2HG2  THR  11           HG1      THR  11  -2.266   8.382  -8.548
   81   3HG2  THR  11           HG2      THR  11  -0.516   8.375  -8.266
   82    H    LYS  12           HN       LYS  12   0.983   5.063  -9.033
   83    HA   LYS  12           HA       LYS  12   2.904   4.690  -8.033
   84   1HB   LYS  12           HB2      LYS  12   3.716   4.749 -10.424
   85   2HB   LYS  12           HB3      LYS  12   4.304   6.392 -10.118
   86   1HG   LYS  12           HG2      LYS  12   5.642   5.432  -8.160
   87   2HG   LYS  12           HG3      LYS  12   5.075   3.837  -8.639
   88   1HD   LYS  12           HD2      LYS  12   7.234   3.991  -9.559
   89   2HD   LYS  12           HD3      LYS  12   6.118   4.190 -10.911
   90   1HE   LYS  12           HE2      LYS  12   7.941   5.786 -11.131
   91   2HE   LYS  12           HE3      LYS  12   6.453   6.681 -10.789
   92   1HZ   LYS  12           HNZ1     LYS  12   7.189   6.754  -8.442
   93   2HZ   LYS  12           HNZ2     LYS  12   8.615   6.071  -8.845
   94   3HZ   LYS  12           HNZ3     LYS  12   8.076   7.585  -9.423
   95    H    ASP  13           HN       ASP  13   3.203   8.158  -8.996
   96    HA   ASP  13           HA       ASP  13   4.426   8.720  -6.314
   97   1HB   ASP  13           HB2      ASP  13   4.732  10.136  -8.995
   98   2HB   ASP  13           HB3      ASP  13   5.445  10.663  -7.464
   99    H    ALA  14           HN       ALA  14   2.422   8.983  -5.214
  100    HA   ALA  14           HA       ALA  14   1.470  11.751  -5.512
  101   1HB   ALA  14           HB3      ALA  14  -0.122  10.338  -6.835
  102   2HB   ALA  14           HB1      ALA  14  -0.538   9.472  -5.342
  103   3HB   ALA  14           HB2      ALA  14  -0.877  11.206  -5.501
  104    H    SER  15           HN       SER  15  -0.652  11.327  -3.529
  105    HA   SER  15           HA       SER  15   0.457  12.615  -1.570
  106   1HB   SER  15           HB2      SER  15  -1.729  10.558  -1.106
  107   2HB   SER  15           HB3      SER  15  -1.550  12.169  -0.372
  108    HG   SER  15           HOG      SER  15  -3.084  12.032  -2.123
  109    H    CYS  16           HN       CYS  16   0.557   9.083  -1.665
  110    HA   CYS  16           HA       CYS  16   1.058   8.690   1.130
  111   1HB   CYS  16           HB2      CYS  16   1.408   6.416   0.534
  112   2HB   CYS  16           HB3      CYS  16  -0.035   7.025  -0.268
  113    H    VAL  17           HN       VAL  17   3.131   9.588  -1.528
  114    HA   VAL  17           HA       VAL  17   5.536   8.446  -0.854
  115    HB   VAL  17           HB       VAL  17   5.062   9.784  -2.839
  116   1HG1  VAL  17           HG11     VAL  17   4.015  11.779  -1.571
  117   2HG1  VAL  17           HG12     VAL  17   5.680  12.310  -1.271
  118   3HG1  VAL  17           HG13     VAL  17   5.091  12.141  -2.932
  119   1HG2  VAL  17           HG21     VAL  17   7.389   9.194  -2.215
  120   2HG2  VAL  17           HG22     VAL  17   7.282  10.705  -3.134
  121   3HG2  VAL  17           HG23     VAL  17   7.547  10.759  -1.383
  122    H    GLU  18           HN       GLU  18   6.716   8.374   0.917
  123    HA   GLU  18           HA       GLU  18   7.726   8.780   2.856
  124   1HB   GLU  18           HB2      GLU  18   7.793  11.552   1.634
  125   2HB   GLU  18           HB3      GLU  18   8.795  11.040   3.000
  126   1HG   GLU  18           HG2      GLU  18   9.846   9.293   1.643
  127   2HG   GLU  18           HG3      GLU  18   8.852   9.734   0.246
  128    H    VAL  19           HN       VAL  19   4.597   9.427   2.921
  129    HA   VAL  19           HA       VAL  19   4.577  11.201   5.268
  130    HB   VAL  19           HB       VAL  19   2.253  10.869   5.394
  131   1HG1  VAL  19           HG11     VAL  19   3.157  12.343   3.597
  132   2HG1  VAL  19           HG12     VAL  19   2.988  11.002   2.446
  133   3HG1  VAL  19           HG13     VAL  19   1.554  11.684   3.232
  134   1HG2  VAL  19           HG22     VAL  19   2.560   8.571   3.430
  135   2HG2  VAL  19           HG23     VAL  19   1.955   8.495   5.091
  136   3HG2  VAL  19           HG21     VAL  19   1.018   9.337   3.850
  137    H    CYS  20           HN       CYS  20   5.139   7.834   4.752
  138    HA   CYS  20           HA       CYS  20   3.775   6.825   6.957
  139   1HB   CYS  20           HB2      CYS  20   4.271   5.546   5.027
  140   2HB   CYS  20           HB3      CYS  20   6.006   5.737   5.309
  141    HA   PRO  21           HA       PRO  21   6.515   8.041  10.337
  142   1HB   PRO  21           HB2      PRO  21   5.106   5.644  11.546
  143   2HB   PRO  21           HB3      PRO  21   5.505   7.204  12.321
  144   1HG   PRO  21           HG2      PRO  21   2.994   6.755  11.397
  145   2HG   PRO  21           HG3      PRO  21   3.788   8.326  11.066
  146   1HD   PRO  21           HD2      PRO  21   3.491   5.956   9.226
  147   2HD   PRO  21           HD3      PRO  21   3.288   7.705   8.888
  148    H    VAL  22           HN       VAL  22   6.206   4.697   9.124
  149    HA   VAL  22           HA       VAL  22   8.975   4.104  10.074
  150    HB   VAL  22           HB       VAL  22   7.154   2.941  11.302
  151   1HG1  VAL  22           HG11     VAL  22   6.287   2.114   8.589
  152   2HG1  VAL  22           HG12     VAL  22   6.377   0.814   9.781
  153   3HG1  VAL  22           HG13     VAL  22   5.405   2.249  10.117
  154   1HG2  VAL  22           HG23     VAL  22   9.373   2.061  11.324
  155   2HG2  VAL  22           HG21     VAL  22   8.188   0.747  11.287
  156   3HG2  VAL  22           HG22     VAL  22   9.102   1.159   9.826
  157    H    ASP  23           HN       ASP  23   8.143   5.461   7.652
  158    HA   ASP  23           HA       ASP  23   8.895   5.731   5.693
  159   1HB   ASP  23           HB2      ASP  23  11.131   5.353   5.378
  160   2HB   ASP  23           HB3      ASP  23  10.912   5.486   7.120
  161    H    CYS  24           HN       CYS  24   8.630   2.192   5.993
  162    HA   CYS  24           HA       CYS  24   9.613   1.786   3.418
  163   1HB   CYS  24           HB2      CYS  24   9.693   0.174   5.408
  164   2HB   CYS  24           HB3      CYS  24   8.061  -0.311   4.931
  165    HG   CYS  24           HSG      CYS  24   9.588  -2.057   3.869
  166    H    ILE  25           HN       ILE  25   7.932   3.372   2.483
  167    HA   ILE  25           HA       ILE  25   6.020   1.769   0.830
  168    HB   ILE  25           HB       ILE  25   6.426   4.769   1.221
  169   1HG1  ILE  25           HG12     ILE  25   4.030   4.877   1.507
  170   2HG1  ILE  25           HG13     ILE  25   3.836   3.164   1.146
  171   1HG2  ILE  25           HG21     ILE  25   4.989   3.359  -1.061
  172   2HG2  ILE  25           HG22     ILE  25   4.831   5.087  -0.680
  173   3HG2  ILE  25           HG23     ILE  25   6.385   4.451  -1.205
  174   1HD1  ILE  25           HD3      ILE  25   5.442   4.202   3.500
  175   2HD1  ILE  25           HD1      ILE  25   3.702   3.821   3.581
  176   3HD1  ILE  25           HD2      ILE  25   4.870   2.536   3.244
  177    H    HIS  26           HN       HIS  26   7.287   0.817  -0.818
  178    HA   HIS  26           HA       HIS  26   9.558   2.410  -1.895
  179   1HB   HIS  26           HB2      HIS  26  10.844   0.614  -1.861
  180   2HB   HIS  26           HB3      HIS  26   9.949   0.237  -0.409
  181    HD1  HIS  26           HND      HIS  26  11.019  -1.330  -3.574
  182    HD2  HIS  26           HD       HIS  26   7.691  -1.520  -0.996
  183    HE1  HIS  26           HE       HIS  26   9.883  -3.562  -4.021
  184    H    GLU  27           HN       GLU  27  10.103   1.277  -4.182
  185    HA   GLU  27           HA       GLU  27   7.549   1.383  -5.635
  186   1HB   GLU  27           HB2      GLU  27  10.245   1.589  -6.962
  187   2HB   GLU  27           HB3      GLU  27   8.644   2.167  -7.474
  188   1HG   GLU  27           HG2      GLU  27   8.750   3.843  -5.564
  189   2HG   GLU  27           HG3      GLU  27  10.432   3.352  -5.308
  190    H    GLY  28           HN       GLY  28   6.852  -0.317  -6.880
  191   1HA   GLY  28           HA2      GLY  28   8.738  -2.673  -7.180
  192   2HA   GLY  28           HA3      GLY  28   6.999  -2.779  -7.246
  193    H    GLU  29           HN       GLU  29   6.655  -3.480  -9.328
  194    HA   GLU  29           HA       GLU  29   8.299  -2.870 -11.504
  195   1HB   GLU  29           HB2      GLU  29   5.381  -3.841 -11.408
  196   2HB   GLU  29           HB3      GLU  29   6.487  -3.914 -12.761
  197   1HG   GLU  29           HG2      GLU  29   6.692  -6.053 -11.915
  198   2HG   GLU  29           HG3      GLU  29   8.043  -5.271 -11.090
  199    H    ASP  30           HN       ASP  30   4.945  -1.870 -10.939
  200    HA   ASP  30           HA       ASP  30   5.252   0.525 -12.699
  201   1HB   ASP  30           HB2      ASP  30   3.638  -1.036 -13.535
  202   2HB   ASP  30           HB3      ASP  30   2.870  -1.264 -11.961
  203    H    GLN  31           HN       GLN  31   3.154  -0.471 -10.052
  204    HA   GLN  31           HA       GLN  31   3.135   2.231  -8.929
  205   1HB   GLN  31           HB2      GLN  31   1.462   1.174  -7.310
  206   2HB   GLN  31           HB3      GLN  31   1.020   1.282  -9.003
  207   1HG   GLN  31           HG2      GLN  31   1.354  -1.051  -9.377
  208   2HG   GLN  31           HG3      GLN  31   2.308  -1.198  -7.907
  209   1HE2  GLN  31           HNE2     GLN  31  -0.895  -2.782  -6.998
  210   2HE2  GLN  31           HNE1     GLN  31   0.613  -3.153  -7.829
  211    H    TYR  32           HN       TYR  32   3.064   2.343  -6.425
  212    HA   TYR  32           HA       TYR  32   5.571   1.260  -5.403
  213   1HB   TYR  32           HB2      TYR  32   3.274   2.659  -3.945
  214   2HB   TYR  32           HB3      TYR  32   4.864   2.306  -3.270
  215    HD1  TYR  32           HD1      TYR  32   6.240   3.406  -6.063
  216    HD2  TYR  32           HD2      TYR  32   3.683   4.837  -2.907
  217    HE1  TYR  32           HE1      TYR  32   7.250   5.653  -6.247
  218    HE2  TYR  32           HE2      TYR  32   4.694   7.092  -3.103
  219    HH   TYR  32           HOH      TYR  32   6.710   7.943  -5.797
  220    H    TYR  33           HN       TYR  33   5.627   0.146  -3.375
  221    HA   TYR  33           HA       TYR  33   3.242  -1.488  -2.677
  222   1HB   TYR  33           HB2      TYR  33   6.094  -2.513  -2.699
  223   2HB   TYR  33           HB3      TYR  33   4.737  -3.353  -2.062
  224    HD1  TYR  33           HD1      TYR  33   5.697  -1.805  -5.371
  225    HD2  TYR  33           HD2      TYR  33   3.921  -5.131  -3.336
  226    HE1  TYR  33           HE1      TYR  33   4.796  -2.586  -7.498
  227    HE2  TYR  33           HE2      TYR  33   2.978  -5.939  -5.464
  228    HH   TYR  33           HOH      TYR  33   4.206  -4.655  -8.487
  229    H    ILE  34           HN       ILE  34   3.741  -2.386  -0.418
  230    HA   ILE  34           HA       ILE  34   5.298  -0.484   1.256
  231    HB   ILE  34           HB       ILE  34   2.454  -1.532   1.710
  232   1HG1  ILE  34           HG12     ILE  34   2.646   1.289   2.155
  233   2HG1  ILE  34           HG13     ILE  34   3.541   0.965   0.672
  234   1HG2  ILE  34           HG21     ILE  34   4.246  -0.088   3.686
  235   2HG2  ILE  34           HG22     ILE  34   2.488  -0.302   3.860
  236   3HG2  ILE  34           HG23     ILE  34   3.528  -1.711   3.831
  237   1HD1  ILE  34           HD2      ILE  34   1.451  -0.420  -0.057
  238   2HD1  ILE  34           HD3      ILE  34   0.632   0.433   1.273
  239   3HD1  ILE  34           HD1      ILE  34   1.355   1.352  -0.065
  240    H    ASP  35           HN       ASP  35   6.403  -1.623   2.959
  241    HA   ASP  35           HA       ASP  35   6.285  -4.531   2.878
  242   1HB   ASP  35           HB2      ASP  35   8.407  -3.595   3.283
  243   2HB   ASP  35           HB3      ASP  35   7.798  -2.660   4.649
  244    HA   PRO  36           HA       PRO  36   2.758  -3.812   5.634
  245   1HB   PRO  36           HB2      PRO  36   1.370  -6.097   5.258
  246   2HB   PRO  36           HB3      PRO  36   1.655  -4.973   3.909
  247   1HG   PRO  36           HG2      PRO  36   3.256  -7.472   4.615
  248   2HG   PRO  36           HG3      PRO  36   2.574  -7.052   3.015
  249   1HD   PRO  36           HD2      PRO  36   5.187  -6.523   3.858
  250   2HD   PRO  36           HD3      PRO  36   4.336  -5.592   2.613
  251    H    ASP  37           HN       ASP  37   5.502  -5.797   6.238
  252    HA   ASP  37           HA       ASP  37   4.436  -6.889   8.752
  253   1HB   ASP  37           HB2      ASP  37   6.418  -7.578   6.774
  254   2HB   ASP  37           HB3      ASP  37   6.979  -7.701   8.416
  255    H    VAL  38           HN       VAL  38   6.647  -4.540   7.225
  256    HA   VAL  38           HA       VAL  38   7.687  -3.474   9.727
  257    HB   VAL  38           HB       VAL  38   7.645  -2.482   6.847
  258   1HG1  VAL  38           HG13     VAL  38   8.692  -1.068   9.301
  259   2HG1  VAL  38           HG11     VAL  38   9.224  -0.699   7.647
  260   3HG1  VAL  38           HG12     VAL  38   7.531  -0.463   8.089
  261   1HG2  VAL  38           HG21     VAL  38   9.206  -4.373   7.536
  262   2HG2  VAL  38           HG22     VAL  38  10.035  -2.914   6.966
  263   3HG2  VAL  38           HG23     VAL  38   9.938  -3.262   8.705
  264    H    CYS  39           HN       CYS  39   5.043  -2.538   7.426
  265    HA   CYS  39           HA       CYS  39   4.278  -0.178   8.674
  266   1HB   CYS  39           HB2      CYS  39   3.337  -0.967   6.580
  267   2HB   CYS  39           HB3      CYS  39   2.637  -2.309   7.436
  268    H    ILE  40           HN       ILE  40   3.357   0.379  10.508
  269    HA   ILE  40           HA       ILE  40   2.880  -1.630  12.583
  270    HB   ILE  40           HB       ILE  40   2.815   0.355  14.011
  271   1HG1  ILE  40           HG12     ILE  40   3.886   2.293  12.093
  272   2HG1  ILE  40           HG13     ILE  40   2.258   1.774  11.611
  273   1HG2  ILE  40           HG23     ILE  40   4.942  -0.763  13.638
  274   2HG2  ILE  40           HG21     ILE  40   5.258   0.252  12.214
  275   3HG2  ILE  40           HG22     ILE  40   5.155   0.984  13.828
  276   1HD1  ILE  40           HD3      ILE  40   2.913   2.704  14.398
  277   2HD1  ILE  40           HD1      ILE  40   2.161   3.681  13.114
  278   3HD1  ILE  40           HD2      ILE  40   1.330   2.205  13.694
  279    H    ASP  41           HN       ASP  41   0.577  -1.051  10.314
  280    HA   ASP  41           HA       ASP  41  -1.540  -0.335  10.210
  281   1HB   ASP  41           HB2      ASP  41  -1.559  -1.601  12.978
  282   2HB   ASP  41           HB3      ASP  41  -3.005  -0.921  12.229
  283    H    CYS  42           HN       CYS  42  -1.527   1.871   9.880
  284    HA   CYS  42           HA       CYS  42  -2.299   3.494  12.169
  285   1HB   CYS  42           HB2      CYS  42  -0.614   4.937  12.225
  286   2HB   CYS  42           HB3      CYS  42   0.304   3.482  11.861
  287    H    GLY  43           HN       GLY  43  -3.036   5.694  11.404
  288   1HA   GLY  43           HA2      GLY  43  -4.734   5.177   9.025
  289   2HA   GLY  43           HA3      GLY  43  -4.991   6.369  10.292
  290    H    ALA  44           HN       ALA  44  -1.748   6.525   9.181
  291    HA   ALA  44           HA       ALA  44  -2.243   9.212   8.280
  292   1HB   ALA  44           HB2      ALA  44  -0.189   8.602   9.446
  293   2HB   ALA  44           HB3      ALA  44   0.298   7.538   8.113
  294   3HB   ALA  44           HB1      ALA  44   0.175   9.290   7.851
  295    H    CYS  45           HN       CYS  45  -0.690   6.535   6.457
  296    HA   CYS  45           HA       CYS  45  -0.867   7.736   3.939
  297   1HB   CYS  45           HB2      CYS  45  -0.365   5.582   3.049
  298   2HB   CYS  45           HB3      CYS  45   0.650   5.967   4.424
  299    H    GLU  46           HN       GLU  46  -3.043   5.361   5.430
  300    HA   GLU  46           HA       GLU  46  -5.064   4.941   3.674
  301   1HB   GLU  46           HB2      GLU  46  -4.979   4.112   6.029
  302   2HB   GLU  46           HB3      GLU  46  -5.392   5.732   6.601
  303   1HG   GLU  46           HG2      GLU  46  -7.580   5.545   5.308
  304   2HG   GLU  46           HG3      GLU  46  -7.149   3.864   4.963
  305    H    ALA  47           HN       ALA  47  -4.934   7.841   5.821
  306    HA   ALA  47           HA       ALA  47  -7.343   8.960   4.850
  307   1HB   ALA  47           HB1      ALA  47  -4.966  10.238   6.259
  308   2HB   ALA  47           HB2      ALA  47  -6.533  11.033   5.996
  309   3HB   ALA  47           HB3      ALA  47  -6.438   9.573   7.003
  310    H    VAL  48           HN       VAL  48  -3.975   9.420   3.734
  311    HA   VAL  48           HA       VAL  48  -4.839  11.704   2.061
  312    HB   VAL  48           HB       VAL  48  -2.529  12.085   1.610
  313   1HG1  VAL  48           HG13     VAL  48  -3.489  13.073   3.608
  314   2HG1  VAL  48           HG11     VAL  48  -3.074  11.637   4.569
  315   3HG1  VAL  48           HG12     VAL  48  -1.790  12.652   3.886
  316   1HG2  VAL  48           HG23     VAL  48  -1.688   9.717   1.607
  317   2HG2  VAL  48           HG21     VAL  48  -0.721  10.811   2.602
  318   3HG2  VAL  48           HG22     VAL  48  -1.867   9.705   3.377
  319    H    CYS  49           HN       CYS  49  -4.063   8.267   1.599
  320    HA   CYS  49           HA       CYS  49  -3.513   8.461  -1.165
  321   1HB   CYS  49           HB2      CYS  49  -3.019   6.461   0.138
  322   2HB   CYS  49           HB3      CYS  49  -4.724   6.214   0.395
  323    HA   PRO  50           HA       PRO  50  -7.590   9.703  -2.626
  324   1HB   PRO  50           HB2      PRO  50  -6.660   8.249  -5.112
  325   2HB   PRO  50           HB3      PRO  50  -7.517   9.814  -4.988
  326   1HG   PRO  50           HG2      PRO  50  -4.831   9.761  -5.376
  327   2HG   PRO  50           HG3      PRO  50  -5.530  10.901  -4.183
  328   1HD   PRO  50           HD2      PRO  50  -4.219   8.229  -3.672
  329   2HD   PRO  50           HD3      PRO  50  -4.008   9.784  -2.812
  330    H    VAL  51           HN       VAL  51  -9.369   8.641  -1.979
  331    HA   VAL  51           HA       VAL  51 -10.897   7.070  -1.537
  332    HB   VAL  51           HB       VAL  51 -10.013   5.419  -3.911
  333   1HG1  VAL  51           HG11     VAL  51 -12.072   4.811  -2.483
  334   2HG1  VAL  51           HG12     VAL  51 -12.796   6.321  -3.057
  335   3HG1  VAL  51           HG13     VAL  51 -12.368   5.042  -4.210
  336   1HG2  VAL  51           HG23     VAL  51 -11.380   8.140  -4.057
  337   2HG2  VAL  51           HG21     VAL  51  -9.867   7.653  -4.855
  338   3HG2  VAL  51           HG22     VAL  51 -11.393   6.945  -5.369
  339    H    SER  52           HN       SER  52  -8.045   6.747  -0.526
  340    HA   SER  52           HA       SER  52  -6.659   5.267   0.440
  341   1HB   SER  52           HB2      SER  52  -7.774   3.660   2.025
  342   2HB   SER  52           HB3      SER  52  -8.247   5.357   2.203
  343    HG   SER  52           HOG      SER  52  -9.756   3.732   0.497
  344    H    ALA  53           HN       ALA  53  -6.460   4.713  -2.090
  345    HA   ALA  53           HA       ALA  53  -7.188   2.078  -2.933
  346   1HB   ALA  53           HB3      ALA  53  -6.288   3.830  -4.455
  347   2HB   ALA  53           HB1      ALA  53  -4.685   3.628  -3.714
  348   3HB   ALA  53           HB2      ALA  53  -5.427   2.281  -4.590
  349    H    ILE  54           HN       ILE  54  -4.573   3.289  -0.887
  350    HA   ILE  54           HA       ILE  54  -3.383   0.705  -0.335
  351    HB   ILE  54           HB       ILE  54  -3.447   3.335   1.194
  352   1HG1  ILE  54           HG12     ILE  54  -1.232   1.988  -0.431
  353   2HG1  ILE  54           HG13     ILE  54  -2.233   3.330  -0.991
  354   1HG2  ILE  54           HG22     ILE  54  -3.124   1.241   2.604
  355   2HG2  ILE  54           HG23     ILE  54  -1.637   0.934   1.702
  356   3HG2  ILE  54           HG21     ILE  54  -1.811   2.411   2.683
  357   1HD1  ILE  54           HD1      ILE  54  -1.368   4.784   0.793
  358   2HD1  ILE  54           HD2      ILE  54  -0.336   3.463   1.393
  359   3HD1  ILE  54           HD3      ILE  54  -0.057   4.138  -0.212
  360    H    TYR  55           HN       TYR  55  -4.642  -0.889   0.526
  361    HA   TYR  55           HA       TYR  55  -6.747  -0.217   2.509
  362   1HB   TYR  55           HB2      TYR  55  -6.807  -2.143   0.239
  363   2HB   TYR  55           HB3      TYR  55  -7.916  -2.276   1.606
  364    HD1  TYR  55           HD1      TYR  55  -9.247  -0.043   2.210
  365    HD2  TYR  55           HD2      TYR  55  -7.634  -1.003  -1.671
  366    HE1  TYR  55           HE1      TYR  55 -10.933   1.422   1.139
  367    HE2  TYR  55           HE2      TYR  55  -9.378   0.390  -2.738
  368    HH   TYR  55           HOH      TYR  55 -10.753   2.769  -1.502
  369    H    HIS  56           HN       HIS  56  -6.955  -1.608   4.235
  370    HA   HIS  56           HA       HIS  56  -4.605  -3.020   5.147
  371   1HB   HIS  56           HB2      HIS  56  -6.102  -1.791   6.607
  372   2HB   HIS  56           HB3      HIS  56  -7.481  -2.744   6.059
  373    HD1  HIS  56           HND      HIS  56  -4.524  -4.915   7.041
  374    HD2  HIS  56           HD       HIS  56  -7.838  -2.997   8.719
  375    HE1  HIS  56           HE       HIS  56  -5.031  -6.171   9.157
  376    H    GLU  57           HN       GLU  57  -4.225  -5.333   5.309
  377    HA   GLU  57           HA       GLU  57  -5.167  -6.834   3.190
  378   1HB   GLU  57           HB2      GLU  57  -4.238  -8.725   4.459
  379   2HB   GLU  57           HB3      GLU  57  -3.111  -7.383   4.212
  380   1HG   GLU  57           HG2      GLU  57  -4.633  -7.526   6.804
  381   2HG   GLU  57           HG3      GLU  57  -3.377  -8.727   6.492
  382    H    ASP  58           HN       ASP  58  -6.911  -6.151   6.099
  383    HA   ASP  58           HA       ASP  58  -8.568  -8.547   6.048
  384   1HB   ASP  58           HB2      ASP  58  -8.234  -7.234   8.094
  385   2HB   ASP  58           HB3      ASP  58  -8.972  -5.812   7.348
  386    H    PHE  59           HN       PHE  59  -8.952  -5.086   5.156
  387    HA   PHE  59           HA       PHE  59 -11.547  -5.125   4.129
  388   1HB   PHE  59           HB2      PHE  59  -9.140  -3.315   3.681
  389   2HB   PHE  59           HB3      PHE  59 -10.805  -2.938   3.325
  390    HD1  PHE  59           HD1      PHE  59 -11.206  -4.508   6.399
  391    HD2  PHE  59           HD2      PHE  59  -9.559  -0.902   4.668
  392    HE1  PHE  59           HE1      PHE  59 -11.251  -3.433   8.594
  393    HE2  PHE  59           HE2      PHE  59  -9.654   0.192   6.886
  394    HZ   PHE  59           HZ       PHE  59 -10.485  -1.069   8.860
  395    H    VAL  60           HN       VAL  60  -8.336  -5.493   2.790
  396    HA   VAL  60           HA       VAL  60  -8.729  -5.085   0.057
  397    HB   VAL  60           HB       VAL  60  -6.888  -6.747   1.732
  398   1HG1  VAL  60           HG13     VAL  60  -6.971  -6.974  -1.299
  399   2HG1  VAL  60           HG11     VAL  60  -5.565  -7.336  -0.297
  400   3HG1  VAL  60           HG12     VAL  60  -7.030  -8.304  -0.114
  401   1HG2  VAL  60           HG23     VAL  60  -6.810  -4.250   1.211
  402   2HG2  VAL  60           HG21     VAL  60  -5.349  -5.117   0.772
  403   3HG2  VAL  60           HG22     VAL  60  -6.563  -4.727  -0.491
  404    HA   PRO  61           HA       PRO  61 -11.650  -8.366  -0.882
  405   1HB   PRO  61           HB2      PRO  61 -11.442  -8.306  -3.674
  406   2HB   PRO  61           HB3      PRO  61 -12.482  -7.259  -2.691
  407   1HG   PRO  61           HG2      PRO  61  -9.848  -6.656  -3.967
  408   2HG   PRO  61           HG3      PRO  61 -11.208  -5.542  -3.666
  409   1HD   PRO  61           HD2      PRO  61  -8.856  -5.682  -2.127
  410   2HD   PRO  61           HD3      PRO  61 -10.401  -5.025  -1.530
  411    H    GLU  62           HN       GLU  62 -11.482 -10.640  -1.386
  412    HA   GLU  62           HA       GLU  62  -9.241 -12.059  -1.196
  413   1HB   GLU  62           HB2      GLU  62 -11.996 -12.328  -2.410
  414   2HB   GLU  62           HB3      GLU  62 -10.826 -13.585  -2.608
  415   1HG   GLU  62           HG2      GLU  62 -12.269 -13.924  -0.575
  416   2HG   GLU  62           HG3      GLU  62 -10.548 -13.828  -0.176
  417    H    GLU  63           HN       GLU  63 -10.657 -10.895  -4.215
  418    HA   GLU  63           HA       GLU  63  -8.963 -11.899  -6.154
  419   1HB   GLU  63           HB2      GLU  63 -10.907 -10.451  -6.470
  420   2HB   GLU  63           HB3      GLU  63  -9.991  -9.044  -5.924
  421   1HG   GLU  63           HG2      GLU  63  -9.046  -8.749  -7.936
  422   2HG   GLU  63           HG3      GLU  63  -8.501 -10.423  -8.036
  423    H    TRP  64           HN       TRP  64  -8.333  -9.164  -3.941
  424    HA   TRP  64           HA       TRP  64  -5.577  -8.834  -4.999
  425   1HB   TRP  64           HB2      TRP  64  -7.407  -6.924  -3.543
  426   2HB   TRP  64           HB3      TRP  64  -5.757  -6.563  -4.021
  427    HD1  TRP  64           HD       TRP  64  -6.229  -8.100  -6.980
  428    HE1  TRP  64           HNE      TRP  64  -7.346  -6.699  -8.840
  429    HE3  TRP  64           HE       TRP  64  -8.438  -4.409  -4.156
  430    HZ2  TRP  64           HZ1      TRP  64  -9.279  -4.683  -9.049
  431    HZ3  TRP  64           HZ2      TRP  64  -9.719  -2.623  -5.312
  432    HH2  TRP  64           HH       TRP  64 -10.179  -2.775  -7.746
  433    H    LYS  65           HN       LYS  65  -6.967 -10.499  -2.478
  434    HA   LYS  65           HA       LYS  65  -4.924 -10.065  -0.496
  435   1HB   LYS  65           HB2      LYS  65  -6.751 -12.371  -1.149
  436   2HB   LYS  65           HB3      LYS  65  -5.211 -12.771  -0.420
  437   1HG   LYS  65           HG2      LYS  65  -6.347 -12.554   1.484
  438   2HG   LYS  65           HG3      LYS  65  -5.820 -10.884   1.335
  439   1HD   LYS  65           HD2      LYS  65  -8.142 -10.529   0.139
  440   2HD   LYS  65           HD3      LYS  65  -8.551 -12.125   0.842
  441   1HE   LYS  65           HE2      LYS  65  -7.918 -11.203   3.116
  442   2HE   LYS  65           HE3      LYS  65  -7.655  -9.647   2.282
  443   1HZ   LYS  65           HNZ1     LYS  65 -10.271 -10.996   2.369
  444   2HZ   LYS  65           HNZ2     LYS  65  -9.812  -9.707   3.351
  445   3HZ   LYS  65           HNZ3     LYS  65  -9.909  -9.529   1.744
  446    H    SER  66           HN       SER  66  -4.909 -11.701  -3.651
  447    HA   SER  66           HA       SER  66  -2.434 -12.797  -3.861
  448   1HB   SER  66           HB2      SER  66  -3.620 -10.839  -5.878
  449   2HB   SER  66           HB3      SER  66  -2.638 -12.283  -6.193
  450    HG   SER  66           HOG      SER  66  -5.311 -12.074  -5.887
  451    H    TYR  67           HN       TYR  67  -3.139  -9.232  -4.059
  452    HA   TYR  67           HA       TYR  67  -0.358  -8.537  -4.567
  453   1HB   TYR  67           HB2      TYR  67  -2.822  -6.959  -3.669
  454   2HB   TYR  67           HB3      TYR  67  -1.227  -6.256  -3.669
  455    HD1  TYR  67           HD1      TYR  67   0.115  -6.368  -5.951
  456    HD2  TYR  67           HD2      TYR  67  -4.147  -6.903  -5.641
  457    HE1  TYR  67           HE1      TYR  67  -0.136  -5.849  -8.370
  458    HE2  TYR  67           HE2      TYR  67  -4.396  -6.327  -8.038
  459    HH   TYR  67           HOH      TYR  67  -3.303  -5.443  -9.906
  460    H    ILE  68           HN       ILE  68  -2.425  -8.826  -1.602
  461    HA   ILE  68           HA       ILE  68  -0.508  -7.513  -0.028
  462    HB   ILE  68           HB       ILE  68  -2.824  -9.420   0.423
  463   1HG1  ILE  68           HG12     ILE  68  -3.989  -7.619   1.166
  464   2HG1  ILE  68           HG13     ILE  68  -2.575  -6.729   1.702
  465   1HG2  ILE  68           HG22     ILE  68  -1.097  -8.375   2.679
  466   2HG2  ILE  68           HG23     ILE  68  -2.676  -9.191   2.827
  467   3HG2  ILE  68           HG21     ILE  68  -1.301 -10.078   2.195
  468   1HD1  ILE  68           HD1      ILE  68  -2.030  -6.154  -0.691
  469   2HD1  ILE  68           HD2      ILE  68  -3.499  -7.002  -1.185
  470   3HD1  ILE  68           HD3      ILE  68  -3.576  -5.566  -0.182
  471    H    GLN  69           HN       GLN  69  -1.037 -10.961  -0.767
  472    HA   GLN  69           HA       GLN  69   1.234 -11.937   0.660
  473   1HB   GLN  69           HB2      GLN  69  -0.578 -12.926  -1.512
  474   2HB   GLN  69           HB3      GLN  69   1.017 -13.659  -1.399
  475   1HG   GLN  69           HG2      GLN  69  -0.658 -14.874  -0.009
  476   2HG   GLN  69           HG3      GLN  69   0.723 -14.255   0.911
  477   1HE2  GLN  69           HNE2     GLN  69  -2.862 -12.314   1.540
  478   2HE2  GLN  69           HNE1     GLN  69  -2.438 -12.698  -0.113
  479    H    LYS  70           HN       LYS  70   0.920 -10.528  -2.640
  480    HA   LYS  70           HA       LYS  70   3.619 -10.865  -3.338
  481   1HB   LYS  70           HB2      LYS  70   1.604 -10.022  -4.773
  482   2HB   LYS  70           HB3      LYS  70   2.012  -8.425  -4.155
  483   1HG   LYS  70           HG2      LYS  70   4.246  -8.522  -5.062
  484   2HG   LYS  70           HG3      LYS  70   4.004 -10.197  -5.596
  485   1HD   LYS  70           HD2      LYS  70   2.188  -9.527  -7.097
  486   2HD   LYS  70           HD3      LYS  70   2.308  -7.843  -6.592
  487   1HE   LYS  70           HE2      LYS  70   4.568  -9.422  -7.927
  488   2HE   LYS  70           HE3      LYS  70   3.433  -8.381  -8.796
  489   1HZ   LYS  70           HNZ1     LYS  70   5.237  -7.383  -6.681
  490   2HZ   LYS  70           HNZ2     LYS  70   5.506  -7.300  -8.290
  491   3HZ   LYS  70           HNZ3     LYS  70   4.250  -6.496  -7.666
  492    H    ASN  71           HN       ASN  71   2.204  -7.854  -1.828
  493    HA   ASN  71           HA       ASN  71   4.610  -6.547  -1.321
  494   1HB   ASN  71           HB2      ASN  71   1.968  -6.716   0.200
  495   2HB   ASN  71           HB3      ASN  71   3.275  -5.669   0.724
  496   1HD2  ASN  71           HND2     ASN  71   1.480  -4.700  -2.839
  497   2HD2  ASN  71           HND1     ASN  71   1.352  -6.351  -2.283
  498    H    ARG  72           HN       ARG  72   3.059  -9.173   0.635
  499    HA   ARG  72           HA       ARG  72   5.120  -9.172   2.602
  500   1HB   ARG  72           HB2      ARG  72   2.917 -10.939   1.831
  501   2HB   ARG  72           HB3      ARG  72   4.369 -11.885   2.050
  502   1HG   ARG  72           HG2      ARG  72   3.749 -11.930   4.226
  503   2HG   ARG  72           HG3      ARG  72   4.518 -10.350   4.310
  504   1HD   ARG  72           HD2      ARG  72   2.123  -9.493   3.528
  505   2HD   ARG  72           HD3      ARG  72   1.584 -11.090   4.095
  506    HE   ARG  72           HNE      ARG  72   3.241  -9.798   6.112
  507   1HH1  ARG  72           HN22     ARG  72  -0.013  -9.430   4.730
  508   2HH1  ARG  72           HN21     ARG  72  -0.499  -8.287   5.975
  509   1HH2  ARG  72           HN12     ARG  72   2.651  -8.440   7.591
  510   2HH2  ARG  72           HN11     ARG  72   1.078  -7.647   7.638
  511    H    ASP  73           HN       ASP  73   4.877 -10.964  -0.523
  512    HA   ASP  73           HA       ASP  73   7.152 -12.546  -0.225
  513   1HB   ASP  73           HB2      ASP  73   5.167 -12.348  -2.065
  514   2HB   ASP  73           HB3      ASP  73   6.475 -11.628  -2.986
  515    H    PHE  74           HN       PHE  74   6.748  -9.394  -1.664
  516    HA   PHE  74           HA       PHE  74   9.271  -8.831  -2.736
  517   1HB   PHE  74           HB2      PHE  74   7.025  -7.263  -1.450
  518   2HB   PHE  74           HB3      PHE  74   8.527  -6.458  -1.746
  519    HD1  PHE  74           HD1      PHE  74   7.592  -9.063  -4.237
  520    HD2  PHE  74           HD2      PHE  74   7.174  -4.917  -3.157
  521    HE1  PHE  74           HE1      PHE  74   7.705  -8.430  -6.620
  522    HE2  PHE  74           HE2      PHE  74   7.294  -4.285  -5.537
  523    HZ   PHE  74           HZ       PHE  74   7.606  -6.030  -7.281
  524    H    PHE  75           HN       PHE  75   8.378  -8.864   0.716
  525    HA   PHE  75           HA       PHE  75  11.243  -8.286   1.387
  526   1HB   PHE  75           HB2      PHE  75   8.704  -7.724   2.961
  527   2HB   PHE  75           HB3      PHE  75  10.336  -7.363   3.459
  528    HD1  PHE  75           HD2      PHE  75  11.686  -5.593   2.274
  529    HD2  PHE  75           HD1      PHE  75   7.530  -6.285   1.434
  530    HE1  PHE  75           HE2      PHE  75  11.524  -3.360   1.198
  531    HE2  PHE  75           HE1      PHE  75   7.389  -4.112   0.253
  532    HZ   PHE  75           HZ       PHE  75   9.337  -2.590   0.294
  533    H    LYS  76           HN       LYS  76  10.030 -10.943   0.707
  534    HA   LYS  76           HA       LYS  76  10.676 -12.400   3.219
  535   1HB   LYS  76           HB2      LYS  76   8.253 -11.766   3.260
  536   2HB   LYS  76           HB3      LYS  76   8.081 -12.507   1.677
  537   1HG   LYS  76           HG2      LYS  76   8.910 -14.712   2.951
  538   2HG   LYS  76           HG3      LYS  76   8.350 -13.796   4.360
  539   1HD   LYS  76           HD2      LYS  76   6.381 -14.928   3.669
  540   2HD   LYS  76           HD3      LYS  76   6.211 -13.326   2.939
  541   1HE   LYS  76           HE2      LYS  76   7.566 -14.622   0.915
  542   2HE   LYS  76           HE3      LYS  76   6.816 -16.017   1.670
  543   1HZ   LYS  76           HNZ1     LYS  76   4.855 -14.038   1.239
  544   2HZ   LYS  76           HNZ2     LYS  76   5.783 -14.225  -0.129
  545   3HZ   LYS  76           HNZ3     LYS  76   5.050 -15.502   0.482
  546    H    LYS  77           HN       LYS  77  12.411 -13.446   2.202
  547    HA   LYS  77           HA       LYS  77  13.612 -14.659   1.021
  548   1HB   LYS  77           HB2      LYS  77  12.971 -16.718   0.577
  549   2HB   LYS  77           HB3      LYS  77  11.948 -16.232   1.892
  550   1HG   LYS  77           HG2      LYS  77  10.675 -17.626   0.500
  551   2HG   LYS  77           HG3      LYS  77   9.978 -16.045   0.375
  552   1HD   LYS  77           HD2      LYS  77  11.961 -16.497  -1.785
  553   2HD   LYS  77           HD3      LYS  77  10.867 -17.845  -1.663
  554   1HE   LYS  77           HE2      LYS  77   9.991 -16.301  -3.287
  555   2HE   LYS  77           HE3      LYS  77   8.894 -16.355  -1.902
  556   1HZ   LYS  77           HNZ2     LYS  77  10.896 -14.187  -2.301
  557   2HZ   LYS  77           HNZ3     LYS  77   9.271 -14.125  -2.723
  558   3HZ   LYS  77           HNZ1     LYS  77   9.783 -14.261  -1.177
   
  No H/Q in entry =         557
  Start of MODEL   16
    1   1H    ALA   1           HN1      ALA   1  -2.161  -5.696   8.326
    2   2H    ALA   1           HN2      ALA   1  -2.503  -4.299   9.204
    3   2H    ALA   1           HN3      ALA   1  -2.503  -4.299   9.204
    4    HA   ALA   1           HA       ALA   1  -0.265  -4.771   7.402
    5   1HB   ALA   1           HB1      ALA   1   0.435  -3.582   9.407
    6   2HB   ALA   1           HB2      ALA   1   0.731  -2.894   7.798
    7   3HB   ALA   1           HB3      ALA   1  -0.558  -2.213   8.832
    8    H    TYR   2           HN       TYR   2  -0.597  -1.825   6.676
    9    HA   TYR   2           HA       TYR   2  -3.131  -1.839   5.126
   10   1HB   TYR   2           HB2      TYR   2  -1.478   0.251   6.444
   11   2HB   TYR   2           HB3      TYR   2  -2.130   0.662   4.868
   12    HD1  TYR   2           HD1      TYR   2  -3.060  -0.310   8.327
   13    HD2  TYR   2           HD2      TYR   2  -4.526   0.879   4.461
   14    HE1  TYR   2           HE1      TYR   2  -5.262   0.234   9.332
   15    HE2  TYR   2           HE2      TYR   2  -6.730   1.372   5.447
   16    HH   TYR   2           HOH      TYR   2  -7.811   1.870   7.520
   17    H    VAL   3           HN       VAL   3  -3.031  -2.135   3.025
   18    HA   VAL   3           HA       VAL   3  -0.331  -2.223   1.699
   19    HB   VAL   3           HB       VAL   3  -2.355  -4.396   1.393
   20   1HG1  VAL   3           HG13     VAL   3   0.697  -4.200   1.283
   21   2HG1  VAL   3           HG11     VAL   3  -0.175  -5.732   1.205
   22   3HG1  VAL   3           HG12     VAL   3  -0.413  -4.525  -0.067
   23   1HG2  VAL   3           HG23     VAL   3  -0.477  -4.165   3.748
   24   2HG2  VAL   3           HG21     VAL   3  -2.245  -4.407   3.770
   25   3HG2  VAL   3           HG22     VAL   3  -1.183  -5.703   3.222
   26    H    ILE   4           HN       ILE   4  -0.317  -2.479  -0.505
   27    HA   ILE   4           HA       ILE   4  -1.991  -0.590  -1.759
   28    HB   ILE   4           HB       ILE   4   0.523  -1.783  -2.226
   29   1HG1  ILE   4           HG12     ILE   4   0.424  -0.763  -4.570
   30   2HG1  ILE   4           HG13     ILE   4  -1.285  -0.422  -4.314
   31   1HG2  ILE   4           HG22     ILE   4  -0.501  -3.828  -2.855
   32   2HG2  ILE   4           HG23     ILE   4  -1.105  -3.078  -4.363
   33   3HG2  ILE   4           HG21     ILE   4   0.643  -3.121  -4.042
   34   1HD1  ILE   4           HD2      ILE   4  -0.645   1.037  -2.346
   35   2HD1  ILE   4           HD3      ILE   4   1.062   0.658  -2.668
   36   3HD1  ILE   4           HD1      ILE   4   0.106   1.557  -3.854
   37    H    THR   5           HN       THR   5  -3.352  -0.908  -3.721
   38    HA   THR   5           HA       THR   5  -4.074  -3.658  -4.327
   39    HB   THR   5           HB       THR   5  -6.493  -3.088  -4.540
   40    HG1  THR   5           HOG      THR   5  -5.812  -0.789  -3.016
   41   1HG2  THR   5           HG1      THR   5  -5.702  -4.312  -2.541
   42   2HG2  THR   5           HG2      THR   5  -5.599  -2.766  -1.667
   43   3HG2  THR   5           HG3      THR   5  -7.170  -3.347  -2.270
   44    H    GLU   6           HN       GLU   6  -5.189  -3.758  -6.325
   45    HA   GLU   6           HA       GLU   6  -4.482  -3.014  -8.608
   46   1HB   GLU   6           HB2      GLU   6  -6.419  -4.311  -8.089
   47   2HB   GLU   6           HB3      GLU   6  -7.301  -2.854  -7.751
   48   1HG   GLU   6           HG2      GLU   6  -7.984  -3.511  -9.885
   49   2HG   GLU   6           HG3      GLU   6  -6.867  -2.180 -10.209
   50    HA   PRO   7           HA       PRO   7  -6.542   1.284  -9.203
   51   1HB   PRO   7           HB2      PRO   7  -6.716   2.793  -6.746
   52   2HB   PRO   7           HB3      PRO   7  -8.013   2.248  -7.839
   53   1HG   PRO   7           HG2      PRO   7  -6.977   0.973  -5.331
   54   2HG   PRO   7           HG3      PRO   7  -8.621   0.896  -6.022
   55   1HD   PRO   7           HD2      PRO   7  -6.928  -1.199  -6.153
   56   2HD   PRO   7           HD3      PRO   7  -8.014  -0.796  -7.513
   57    H    CYS   8           HN       CYS   8  -3.884   0.900  -6.789
   58    HA   CYS   8           HA       CYS   8  -2.726   3.480  -7.474
   59   1HB   CYS   8           HB2      CYS   8  -2.187   2.331  -5.373
   60   2HB   CYS   8           HB3      CYS   8  -1.428   1.048  -6.322
   61    H    ILE   9           HN       ILE   9  -2.760   0.283  -9.054
   62    HA   ILE   9           HA       ILE   9  -0.368   0.336 -10.421
   63    HB   ILE   9           HB       ILE   9  -2.988  -0.836 -11.228
   64   1HG1  ILE   9           HG12     ILE   9  -0.459  -2.011 -10.023
   65   2HG1  ILE   9           HG13     ILE   9  -1.891  -1.590  -9.069
   66   1HG2  ILE   9           HG22     ILE   9  -0.160  -1.216 -12.368
   67   2HG2  ILE   9           HG23     ILE   9  -1.555  -2.242 -12.775
   68   3HG2  ILE   9           HG21     ILE   9  -1.557  -0.551 -13.243
   69   1HD1  ILE   9           HD2      ILE   9  -3.197  -3.156 -10.547
   70   2HD1  ILE   9           HD3      ILE   9  -1.625  -3.759 -11.138
   71   3HD1  ILE   9           HD1      ILE   9  -2.022  -3.868  -9.409
   72    H    GLY  10           HN       GLY  10   0.442   1.579 -11.928
   73   1HA   GLY  10           HA2      GLY  10   0.504   2.875 -13.895
   74   2HA   GLY  10           HA3      GLY  10  -1.254   3.064 -13.856
   75    H    THR  11           HN       THR  11  -1.854   4.052 -11.405
   76    HA   THR  11           HA       THR  11  -1.323   6.727 -11.536
   77    HB   THR  11           HB       THR  11  -1.873   5.295  -8.908
   78    HG1  THR  11           HOG      THR  11  -3.598   4.440  -9.813
   79   1HG2  THR  11           HG1      THR  11  -2.918   7.862 -10.206
   80   2HG2  THR  11           HG2      THR  11  -3.470   7.201  -8.655
   81   3HG2  THR  11           HG3      THR  11  -1.799   7.758  -8.825
   82    H    LYS  12           HN       LYS  12   0.018   8.187 -10.525
   83    HA   LYS  12           HA       LYS  12   2.157   7.337  -8.694
   84   1HB   LYS  12           HB2      LYS  12   2.720   9.038 -11.182
   85   2HB   LYS  12           HB3      LYS  12   3.869   8.604  -9.909
   86   1HG   LYS  12           HG2      LYS  12   2.510   6.686 -11.824
   87   2HG   LYS  12           HG3      LYS  12   4.107   7.377 -12.069
   88   1HD   LYS  12           HD2      LYS  12   5.070   6.288 -10.185
   89   2HD   LYS  12           HD3      LYS  12   3.511   5.768  -9.538
   90   1HE   LYS  12           HE2      LYS  12   4.464   4.916 -12.308
   91   2HE   LYS  12           HE3      LYS  12   4.856   4.023 -10.845
   92   1HZ   LYS  12           HNZ3     LYS  12   2.103   4.660 -11.729
   93   2HZ   LYS  12           HNZ1     LYS  12   2.836   3.237 -11.991
   94   3HZ   LYS  12           HNZ2     LYS  12   2.481   3.723 -10.459
   95    H    ASP  13           HN       ASP  13   1.016   8.451  -7.107
   96    HA   ASP  13           HA       ASP  13   1.134  11.419  -7.469
   97   1HB   ASP  13           HB2      ASP  13  -0.986  10.335  -6.463
   98   2HB   ASP  13           HB3      ASP  13   0.012  10.018  -5.037
   99    H    ALA  14           HN       ALA  14   1.827  11.916  -4.898
  100    HA   ALA  14           HA       ALA  14   4.424  10.552  -4.320
  101   1HB   ALA  14           HB3      ALA  14   3.753  13.512  -4.510
  102   2HB   ALA  14           HB1      ALA  14   5.127  12.916  -3.550
  103   3HB   ALA  14           HB2      ALA  14   5.069  12.620  -5.303
  104    H    SER  15           HN       SER  15   1.374  12.033  -3.255
  105    HA   SER  15           HA       SER  15   1.808  12.770  -0.737
  106   1HB   SER  15           HB2      SER  15  -0.592  11.190  -1.758
  107   2HB   SER  15           HB3      SER  15  -0.536  12.197  -0.293
  108    HG   SER  15           HOG      SER  15  -0.208  13.046  -2.987
  109    H    CYS  16           HN       CYS  16   1.259   9.267  -1.571
  110    HA   CYS  16           HA       CYS  16   1.225   8.496   1.170
  111   1HB   CYS  16           HB2      CYS  16   1.358   6.286   0.406
  112   2HB   CYS  16           HB3      CYS  16   0.181   7.199  -0.536
  113    H    VAL  17           HN       VAL  17   4.004   8.792  -1.109
  114    HA   VAL  17           HA       VAL  17   5.538   6.887   0.260
  115    HB   VAL  17           HB       VAL  17   6.017   7.645  -2.028
  116   1HG1  VAL  17           HG13     VAL  17   7.463  10.011  -0.723
  117   2HG1  VAL  17           HG11     VAL  17   7.585   9.509  -2.417
  118   3HG1  VAL  17           HG12     VAL  17   6.064  10.106  -1.785
  119   1HG2  VAL  17           HG23     VAL  17   7.614   6.258  -0.732
  120   2HG2  VAL  17           HG21     VAL  17   8.434   7.333  -1.876
  121   3HG2  VAL  17           HG22     VAL  17   8.413   7.735  -0.150
  122    H    GLU  18           HN       GLU  18   5.555  10.425   0.796
  123    HA   GLU  18           HA       GLU  18   7.804  10.183   2.616
  124   1HB   GLU  18           HB2      GLU  18   7.474  12.651   2.894
  125   2HB   GLU  18           HB3      GLU  18   7.841  12.081   1.266
  126   1HG   GLU  18           HG2      GLU  18   5.531  12.403   0.547
  127   2HG   GLU  18           HG3      GLU  18   5.031  12.779   2.210
  128    H    VAL  19           HN       VAL  19   4.379   9.966   3.139
  129    HA   VAL  19           HA       VAL  19   4.463  11.320   5.692
  130    HB   VAL  19           HB       VAL  19   2.148  10.791   5.914
  131   1HG1  VAL  19           HG11     VAL  19   2.929  11.580   3.078
  132   2HG1  VAL  19           HG12     VAL  19   1.335  11.854   3.813
  133   3HG1  VAL  19           HG13     VAL  19   2.778  12.652   4.470
  134   1HG2  VAL  19           HG23     VAL  19   2.110   8.437   5.065
  135   2HG2  VAL  19           HG21     VAL  19   0.865   9.468   4.354
  136   3HG2  VAL  19           HG22     VAL  19   2.295   9.061   3.414
  137    H    CYS  20           HN       CYS  20   5.221   8.050   4.838
  138    HA   CYS  20           HA       CYS  20   3.974   6.850   7.060
  139   1HB   CYS  20           HB2      CYS  20   4.268   5.709   5.090
  140   2HB   CYS  20           HB3      CYS  20   6.029   5.849   5.153
  141    HA   PRO  21           HA       PRO  21   6.932   7.864  10.305
  142   1HB   PRO  21           HB2      PRO  21   5.590   5.391  11.437
  143   2HB   PRO  21           HB3      PRO  21   6.052   6.891  12.293
  144   1HG   PRO  21           HG2      PRO  21   3.483   6.532  11.511
  145   2HG   PRO  21           HG3      PRO  21   4.275   8.110  11.208
  146   1HD   PRO  21           HD2      PRO  21   3.846   5.835   9.270
  147   2HD   PRO  21           HD3      PRO  21   3.610   7.595   9.051
  148    H    VAL  22           HN       VAL  22   6.562   4.616   8.895
  149    HA   VAL  22           HA       VAL  22   9.377   3.932   9.658
  150    HB   VAL  22           HB       VAL  22   8.635   1.580   9.663
  151   1HG1  VAL  22           HG12     VAL  22   8.774   2.873  11.765
  152   2HG1  VAL  22           HG13     VAL  22   7.060   3.309  11.612
  153   3HG1  VAL  22           HG11     VAL  22   7.529   1.612  11.824
  154   1HG2  VAL  22           HG21     VAL  22   6.600   1.789   8.219
  155   2HG2  VAL  22           HG22     VAL  22   6.268   0.993   9.765
  156   3HG2  VAL  22           HG23     VAL  22   5.786   2.677   9.526
  157    H    ASP  23           HN       ASP  23   8.298   5.407   7.289
  158    HA   ASP  23           HA       ASP  23   8.611   5.548   5.108
  159   1HB   ASP  23           HB2      ASP  23  10.937   5.566   4.636
  160   2HB   ASP  23           HB3      ASP  23  10.685   6.070   6.305
  161    H    CYS  24           HN       CYS  24   7.776   2.564   5.742
  162    HA   CYS  24           HA       CYS  24   9.264   1.087   3.840
  163   1HB   CYS  24           HB2      CYS  24   8.063  -0.793   4.555
  164   2HB   CYS  24           HB3      CYS  24   8.319   0.220   5.983
  165    HG   CYS  24           HSG      CYS  24   5.909  -1.016   5.895
  166    H    ILE  25           HN       ILE  25   7.128   3.265   2.836
  167    HA   ILE  25           HA       ILE  25   5.789   1.662   0.760
  168    HB   ILE  25           HB       ILE  25   6.150   4.672   1.033
  169   1HG1  ILE  25           HG12     ILE  25   3.407   3.964   1.080
  170   2HG1  ILE  25           HG13     ILE  25   4.215   2.735   2.080
  171   1HG2  ILE  25           HG22     ILE  25   4.556   3.046  -0.995
  172   2HG2  ILE  25           HG23     ILE  25   4.474   4.809  -0.800
  173   3HG2  ILE  25           HG21     ILE  25   5.971   4.061  -1.352
  174   1HD1  ILE  25           HD3      ILE  25   4.632   5.689   2.480
  175   2HD1  ILE  25           HD1      ILE  25   3.437   4.683   3.336
  176   3HD1  ILE  25           HD2      ILE  25   5.185   4.328   3.483
  177    H    HIS  26           HN       HIS  26   7.240   0.651  -0.597
  178    HA   HIS  26           HA       HIS  26   9.498   2.257  -1.697
  179   1HB   HIS  26           HB2      HIS  26  10.834   0.543  -1.426
  180   2HB   HIS  26           HB3      HIS  26   9.805   0.117  -0.086
  181    HD1  HIS  26           HND      HIS  26  11.270  -1.329  -3.132
  182    HD2  HIS  26           HD       HIS  26   7.679  -1.728  -0.968
  183    HE1  HIS  26           HE       HIS  26  10.250  -3.571  -3.816
  184    H    GLU  27           HN       GLU  27  10.149   0.954  -3.889
  185    HA   GLU  27           HA       GLU  27   7.724   1.252  -5.497
  186   1HB   GLU  27           HB2      GLU  27  10.528   1.164  -6.629
  187   2HB   GLU  27           HB3      GLU  27   9.117   2.069  -7.162
  188   1HG   GLU  27           HG2      GLU  27  10.463   3.698  -6.334
  189   2HG   GLU  27           HG3      GLU  27   9.534   3.389  -4.863
  190    H    GLY  28           HN       GLY  28   6.965  -0.292  -6.951
  191   1HA   GLY  28           HA2      GLY  28   8.686  -2.759  -7.330
  192   2HA   GLY  28           HA3      GLY  28   6.940  -2.768  -7.386
  193    H    GLU  29           HN       GLU  29   6.598  -3.410  -9.468
  194    HA   GLU  29           HA       GLU  29   8.302  -2.885 -11.611
  195   1HB   GLU  29           HB2      GLU  29   5.309  -3.621 -11.582
  196   2HB   GLU  29           HB3      GLU  29   6.439  -3.775 -12.913
  197   1HG   GLU  29           HG2      GLU  29   6.455  -5.924 -12.081
  198   2HG   GLU  29           HG3      GLU  29   7.842  -5.251 -11.219
  199    H    ASP  30           HN       ASP  30   4.997  -1.658 -11.116
  200    HA   ASP  30           HA       ASP  30   5.696   0.935 -12.401
  201   1HB   ASP  30           HB2      ASP  30   4.086  -0.273 -13.710
  202   2HB   ASP  30           HB3      ASP  30   3.090  -0.688 -12.310
  203    H    GLN  31           HN       GLN  31   3.129  -0.297 -10.297
  204    HA   GLN  31           HA       GLN  31   2.984   2.105  -8.777
  205   1HB   GLN  31           HB2      GLN  31   1.545   0.686  -7.192
  206   2HB   GLN  31           HB3      GLN  31   0.989   0.877  -8.847
  207   1HG   GLN  31           HG2      GLN  31   1.634  -1.351  -9.441
  208   2HG   GLN  31           HG3      GLN  31   2.745  -1.416  -8.077
  209   1HE2  GLN  31           HNE2     GLN  31   0.184  -3.631  -6.871
  210   2HE2  GLN  31           HNE1     GLN  31   1.679  -3.625  -7.800
  211    H    TYR  32           HN       TYR  32   3.061   2.166  -6.366
  212    HA   TYR  32           HA       TYR  32   5.649   1.150  -5.403
  213   1HB   TYR  32           HB2      TYR  32   3.481   2.725  -3.955
  214   2HB   TYR  32           HB3      TYR  32   5.124   2.505  -3.389
  215    HD1  TYR  32           HD1      TYR  32   6.603   3.192  -6.049
  216    HD2  TYR  32           HD2      TYR  32   3.390   5.065  -3.878
  217    HE1  TYR  32           HE1      TYR  32   7.209   5.377  -7.027
  218    HE2  TYR  32           HE2      TYR  32   3.984   7.247  -4.869
  219    HH   TYR  32           HOH      TYR  32   5.246   8.331  -6.431
  220    H    TYR  33           HN       TYR  33   5.692   0.028  -3.339
  221    HA   TYR  33           HA       TYR  33   3.262  -1.577  -2.714
  222   1HB   TYR  33           HB2      TYR  33   6.113  -2.583  -2.621
  223   2HB   TYR  33           HB3      TYR  33   4.740  -3.444  -2.053
  224    HD1  TYR  33           HD2      TYR  33   5.750  -1.830  -5.329
  225    HD2  TYR  33           HD1      TYR  33   3.923  -5.180  -3.365
  226    HE1  TYR  33           HE2      TYR  33   4.773  -2.536  -7.464
  227    HE2  TYR  33           HE1      TYR  33   2.934  -5.903  -5.494
  228    HH   TYR  33           HOH      TYR  33   4.056  -4.530  -8.525
  229    H    ILE  34           HN       ILE  34   3.654  -2.483  -0.424
  230    HA   ILE  34           HA       ILE  34   5.102  -0.584   1.376
  231    HB   ILE  34           HB       ILE  34   2.201  -1.550   1.559
  232   1HG1  ILE  34           HG12     ILE  34   2.721   1.311   1.938
  233   2HG1  ILE  34           HG13     ILE  34   3.174   0.781   0.315
  234   1HG2  ILE  34           HG22     ILE  34   3.852  -0.020   3.595
  235   2HG2  ILE  34           HG23     ILE  34   2.098  -0.208   3.679
  236   3HG2  ILE  34           HG21     ILE  34   3.130  -1.625   3.828
  237   1HD1  ILE  34           HD2      ILE  34   0.478   0.398   1.677
  238   2HD1  ILE  34           HD3      ILE  34   0.903   1.584   0.420
  239   3HD1  ILE  34           HD1      ILE  34   0.891  -0.149   0.027
  240    H    ASP  35           HN       ASP  35   6.293  -1.876   2.901
  241    HA   ASP  35           HA       ASP  35   5.859  -4.727   3.024
  242   1HB   ASP  35           HB2      ASP  35   8.054  -3.909   3.419
  243   2HB   ASP  35           HB3      ASP  35   7.512  -2.898   4.719
  244    HA   PRO  36           HA       PRO  36   2.384  -3.609   5.726
  245   1HB   PRO  36           HB2      PRO  36   1.674  -6.481   5.900
  246   2HB   PRO  36           HB3      PRO  36   0.730  -5.096   5.316
  247   1HG   PRO  36           HG2      PRO  36   1.839  -7.064   3.636
  248   2HG   PRO  36           HG3      PRO  36   1.764  -5.369   3.098
  249   1HD   PRO  36           HD2      PRO  36   4.122  -6.746   4.385
  250   2HD   PRO  36           HD3      PRO  36   4.041  -5.780   2.898
  251    H    ASP  37           HN       ASP  37   5.023  -5.845   6.559
  252    HA   ASP  37           HA       ASP  37   3.915  -6.548   9.159
  253   1HB   ASP  37           HB2      ASP  37   5.949  -7.497   7.278
  254   2HB   ASP  37           HB3      ASP  37   5.934  -8.020   8.922
  255    H    VAL  38           HN       VAL  38   6.357  -4.649   7.461
  256    HA   VAL  38           HA       VAL  38   7.531  -3.520   9.904
  257    HB   VAL  38           HB       VAL  38   7.524  -2.703   6.981
  258   1HG1  VAL  38           HG11     VAL  38   8.736  -1.264   9.368
  259   2HG1  VAL  38           HG12     VAL  38   9.267  -1.007   7.696
  260   3HG1  VAL  38           HG13     VAL  38   7.599  -0.622   8.154
  261   1HG2  VAL  38           HG23     VAL  38   8.943  -4.668   7.660
  262   2HG2  VAL  38           HG21     VAL  38   9.899  -3.290   7.096
  263   3HG2  VAL  38           HG22     VAL  38   9.768  -3.626   8.834
  264    H    CYS  39           HN       CYS  39   4.959  -2.527   7.502
  265    HA   CYS  39           HA       CYS  39   4.266  -0.100   8.742
  266   1HB   CYS  39           HB2      CYS  39   3.389  -0.870   6.565
  267   2HB   CYS  39           HB3      CYS  39   2.631  -2.174   7.391
  268    H    ILE  40           HN       ILE  40   2.979   0.445  10.443
  269    HA   ILE  40           HA       ILE  40   2.599  -1.674  12.477
  270    HB   ILE  40           HB       ILE  40   2.608   0.184  14.037
  271   1HG1  ILE  40           HG12     ILE  40   3.681   2.369  12.716
  272   2HG1  ILE  40           HG13     ILE  40   2.359   1.902  11.644
  273   1HG2  ILE  40           HG21     ILE  40   4.691  -0.979  13.342
  274   2HG2  ILE  40           HG22     ILE  40   4.966   0.276  12.117
  275   3HG2  ILE  40           HG23     ILE  40   4.970   0.696  13.841
  276   1HD1  ILE  40           HD3      ILE  40   2.077   2.337  14.646
  277   2HD1  ILE  40           HD1      ILE  40   1.691   3.533  13.398
  278   3HD1  ILE  40           HD2      ILE  40   0.768   2.019  13.480
  279    H    ASP  41           HN       ASP  41   0.480  -1.266  10.299
  280    HA   ASP  41           HA       ASP  41  -1.688  -0.614  10.017
  281   1HB   ASP  41           HB2      ASP  41  -1.805  -1.883  12.774
  282   2HB   ASP  41           HB3      ASP  41  -3.247  -1.254  11.971
  283    H    CYS  42           HN       CYS  42  -1.186   1.581   9.751
  284    HA   CYS  42           HA       CYS  42  -2.293   3.293  11.899
  285   1HB   CYS  42           HB2      CYS  42  -0.617   4.659  12.016
  286   2HB   CYS  42           HB3      CYS  42   0.353   3.280  11.518
  287    H    GLY  43           HN       GLY  43  -2.813   5.538  10.855
  288   1HA   GLY  43           HA2      GLY  43  -4.546   4.858   8.490
  289   2HA   GLY  43           HA3      GLY  43  -4.977   5.924   9.821
  290    H    ALA  44           HN       ALA  44  -1.743   6.512   8.927
  291    HA   ALA  44           HA       ALA  44  -2.447   9.169   8.081
  292   1HB   ALA  44           HB2      ALA  44  -0.379   8.681   9.305
  293   2HB   ALA  44           HB3      ALA  44   0.239   7.727   7.943
  294   3HB   ALA  44           HB1      ALA  44  -0.027   9.472   7.756
  295    H    CYS  45           HN       CYS  45  -0.695   6.603   6.285
  296    HA   CYS  45           HA       CYS  45  -0.853   7.853   3.778
  297   1HB   CYS  45           HB2      CYS  45  -0.115   5.794   2.877
  298   2HB   CYS  45           HB3      CYS  45   0.776   6.172   4.336
  299    H    GLU  46           HN       GLU  46  -2.956   5.378   5.241
  300    HA   GLU  46           HA       GLU  46  -4.873   4.886   3.340
  301   1HB   GLU  46           HB2      GLU  46  -4.846   3.990   5.671
  302   2HB   GLU  46           HB3      GLU  46  -5.355   5.576   6.265
  303   1HG   GLU  46           HG2      GLU  46  -7.498   5.351   4.988
  304   2HG   GLU  46           HG3      GLU  46  -6.970   3.747   4.452
  305    H    ALA  47           HN       ALA  47  -4.904   7.737   5.567
  306    HA   ALA  47           HA       ALA  47  -7.263   8.876   4.454
  307   1HB   ALA  47           HB3      ALA  47  -6.382   9.435   6.691
  308   2HB   ALA  47           HB1      ALA  47  -4.987  10.249   5.949
  309   3HB   ALA  47           HB2      ALA  47  -6.624  10.889   5.700
  310    H    VAL  48           HN       VAL  48  -3.770   9.568   3.795
  311    HA   VAL  48           HA       VAL  48  -4.406  11.699   2.066
  312    HB   VAL  48           HB       VAL  48  -2.288  11.042   3.499
  313   1HG1  VAL  48           HG13     VAL  48  -1.562   9.139   2.044
  314   2HG1  VAL  48           HG11     VAL  48  -1.340  10.267   0.702
  315   3HG1  VAL  48           HG12     VAL  48  -0.360  10.426   2.172
  316   1HG2  VAL  48           HG23     VAL  48  -2.333  12.722   1.000
  317   2HG2  VAL  48           HG21     VAL  48  -2.775  13.174   2.664
  318   3HG2  VAL  48           HG22     VAL  48  -1.082  12.800   2.277
  319    H    CYS  49           HN       CYS  49  -3.745   8.253   1.390
  320    HA   CYS  49           HA       CYS  49  -3.150   8.486  -1.325
  321   1HB   CYS  49           HB2      CYS  49  -2.831   6.440   0.008
  322   2HB   CYS  49           HB3      CYS  49  -4.558   6.283   0.135
  323    HA   PRO  50           HA       PRO  50  -7.115   9.879  -2.962
  324   1HB   PRO  50           HB2      PRO  50  -6.188   8.372  -5.413
  325   2HB   PRO  50           HB3      PRO  50  -6.958   9.984  -5.314
  326   1HG   PRO  50           HG2      PRO  50  -4.263   9.766  -5.623
  327   2HG   PRO  50           HG3      PRO  50  -4.934  10.963  -4.473
  328   1HD   PRO  50           HD2      PRO  50  -3.777   8.240  -3.877
  329   2HD   PRO  50           HD3      PRO  50  -3.536   9.798  -3.024
  330    H    VAL  51           HN       VAL  51  -8.935   8.889  -2.309
  331    HA   VAL  51           HA       VAL  51 -10.556   7.400  -1.931
  332    HB   VAL  51           HB       VAL  51  -9.686   5.701  -4.280
  333   1HG1  VAL  51           HG11     VAL  51 -11.759   5.060  -3.002
  334   2HG1  VAL  51           HG12     VAL  51 -12.422   6.670  -3.330
  335   3HG1  VAL  51           HG13     VAL  51 -12.110   5.541  -4.661
  336   1HG2  VAL  51           HG23     VAL  51 -10.970   8.460  -4.456
  337   2HG2  VAL  51           HG21     VAL  51  -9.441   7.943  -5.205
  338   3HG2  VAL  51           HG22     VAL  51 -10.961   7.269  -5.773
  339    H    SER  52           HN       SER  52  -7.728   6.946  -0.862
  340    HA   SER  52           HA       SER  52  -6.526   5.428   0.279
  341   1HB   SER  52           HB2      SER  52  -9.208   4.209   0.953
  342   2HB   SER  52           HB3      SER  52  -7.711   4.144   1.903
  343    HG   SER  52           HOG      SER  52  -7.838   6.435   2.093
  344    H    ALA  53           HN       ALA  53  -6.241   4.782  -2.298
  345    HA   ALA  53           HA       ALA  53  -6.942   2.126  -3.048
  346   1HB   ALA  53           HB1      ALA  53  -5.855   3.791  -4.570
  347   2HB   ALA  53           HB2      ALA  53  -4.326   3.545  -3.697
  348   3HB   ALA  53           HB3      ALA  53  -5.057   2.202  -4.572
  349    H    ILE  54           HN       ILE  54  -4.472   3.386  -0.850
  350    HA   ILE  54           HA       ILE  54  -3.404   0.797  -0.113
  351    HB   ILE  54           HB       ILE  54  -3.395   3.506   1.275
  352   1HG1  ILE  54           HG12     ILE  54  -1.199   1.942  -0.121
  353   2HG1  ILE  54           HG13     ILE  54  -2.123   3.215  -0.906
  354   1HG2  ILE  54           HG21     ILE  54  -2.509   0.765   2.145
  355   2HG2  ILE  54           HG22     ILE  54  -1.405   2.086   2.498
  356   3HG2  ILE  54           HG23     ILE  54  -3.059   2.163   3.100
  357   1HD1  ILE  54           HD3      ILE  54  -0.524   3.791   1.617
  358   2HD1  ILE  54           HD1      ILE  54   0.110   3.963  -0.018
  359   3HD1  ILE  54           HD2      ILE  54  -1.280   4.927   0.499
  360    H    TYR  55           HN       TYR  55  -4.785  -0.715   0.641
  361    HA   TYR  55           HA       TYR  55  -6.921   0.012   2.594
  362   1HB   TYR  55           HB2      TYR  55  -6.946  -1.944   0.337
  363   2HB   TYR  55           HB3      TYR  55  -8.123  -2.011   1.648
  364    HD1  TYR  55           HD2      TYR  55  -9.279   0.438   2.126
  365    HD2  TYR  55           HD1      TYR  55  -7.838  -1.079  -1.641
  366    HE1  TYR  55           HE2      TYR  55 -10.827   1.951   0.917
  367    HE2  TYR  55           HE1      TYR  55  -9.397   0.419  -2.844
  368    HH   TYR  55           HOH      TYR  55 -10.613   3.100  -1.627
  369    H    HIS  56           HN       HIS  56  -7.466  -1.602   4.134
  370    HA   HIS  56           HA       HIS  56  -5.039  -2.699   5.200
  371   1HB   HIS  56           HB2      HIS  56  -6.820  -1.731   6.596
  372   2HB   HIS  56           HB3      HIS  56  -7.968  -2.941   6.035
  373    HD1  HIS  56           HND      HIS  56  -7.938  -5.274   7.315
  374    HD2  HIS  56           HD       HIS  56  -4.589  -2.824   7.957
  375    HE1  HIS  56           HE       HIS  56  -6.342  -6.598   8.805
  376    H    GLU  57           HN       GLU  57  -4.362  -4.852   5.397
  377    HA   GLU  57           HA       GLU  57  -4.672  -6.293   3.138
  378   1HB   GLU  57           HB2      GLU  57  -3.544  -8.107   4.466
  379   2HB   GLU  57           HB3      GLU  57  -2.786  -6.520   4.698
  380   1HG   GLU  57           HG2      GLU  57  -3.983  -6.398   6.870
  381   2HG   GLU  57           HG3      GLU  57  -4.572  -8.058   6.565
  382    H    ASP  58           HN       ASP  58  -6.835  -6.719   5.885
  383    HA   ASP  58           HA       ASP  58  -7.874  -9.145   4.631
  384   1HB   ASP  58           HB2      ASP  58  -7.496  -8.981   7.089
  385   2HB   ASP  58           HB3      ASP  58  -8.874  -7.865   7.178
  386    H    PHE  59           HN       PHE  59  -8.790  -5.725   5.035
  387    HA   PHE  59           HA       PHE  59 -11.534  -5.832   4.243
  388   1HB   PHE  59           HB2      PHE  59  -9.302  -3.754   4.197
  389   2HB   PHE  59           HB3      PHE  59 -10.914  -3.484   3.644
  390    HD1  PHE  59           HD1      PHE  59 -10.931  -5.561   6.642
  391    HD2  PHE  59           HD2      PHE  59 -10.726  -1.492   5.183
  392    HE1  PHE  59           HE1      PHE  59 -11.436  -4.718   8.895
  393    HE2  PHE  59           HE2      PHE  59 -11.269  -0.665   7.446
  394    HZ   PHE  59           HZ       PHE  59 -11.608  -2.271   9.314
  395    H    VAL  60           HN       VAL  60  -8.345  -5.570   2.778
  396    HA   VAL  60           HA       VAL  60  -8.822  -5.076   0.117
  397    HB   VAL  60           HB       VAL  60  -6.735  -6.478   1.740
  398   1HG1  VAL  60           HG11     VAL  60  -7.143  -7.032  -1.224
  399   2HG1  VAL  60           HG12     VAL  60  -5.546  -6.930  -0.502
  400   3HG1  VAL  60           HG13     VAL  60  -6.684  -8.152   0.087
  401   1HG2  VAL  60           HG21     VAL  60  -6.960  -4.062   1.192
  402   2HG2  VAL  60           HG22     VAL  60  -5.444  -4.774   0.652
  403   3HG2  VAL  60           HG23     VAL  60  -6.779  -4.546  -0.519
  404    HA   PRO  61           HA       PRO  61 -11.619  -8.385  -1.007
  405   1HB   PRO  61           HB2      PRO  61 -10.557  -8.129  -3.781
  406   2HB   PRO  61           HB3      PRO  61 -12.227  -7.924  -3.199
  407   1HG   PRO  61           HG2      PRO  61 -10.536  -5.843  -3.969
  408   2HG   PRO  61           HG3      PRO  61 -11.919  -5.661  -2.863
  409   1HD   PRO  61           HD2      PRO  61  -9.009  -5.642  -2.169
  410   2HD   PRO  61           HD3      PRO  61 -10.444  -5.005  -1.309
  411    H    GLU  62           HN       GLU  62 -11.342 -10.713  -1.382
  412    HA   GLU  62           HA       GLU  62  -9.054 -11.966  -0.765
  413   1HB   GLU  62           HB2      GLU  62 -11.620 -12.565  -2.259
  414   2HB   GLU  62           HB3      GLU  62 -10.412 -13.770  -1.957
  415   1HG   GLU  62           HG2      GLU  62 -11.427 -11.946   0.266
  416   2HG   GLU  62           HG3      GLU  62 -12.250 -13.479  -0.120
  417    H    GLU  63           HN       GLU  63 -10.319 -11.321  -3.971
  418    HA   GLU  63           HA       GLU  63  -8.500 -12.218  -5.798
  419   1HB   GLU  63           HB2      GLU  63 -10.549 -10.686  -5.934
  420   2HB   GLU  63           HB3      GLU  63  -9.389  -9.351  -5.961
  421   1HG   GLU  63           HG2      GLU  63  -9.681 -11.668  -7.930
  422   2HG   GLU  63           HG3      GLU  63 -10.183  -9.985  -8.169
  423    H    TRP  64           HN       TRP  64  -8.227  -9.135  -4.007
  424    HA   TRP  64           HA       TRP  64  -5.418  -8.757  -4.841
  425   1HB   TRP  64           HB2      TRP  64  -7.423  -6.915  -3.511
  426   2HB   TRP  64           HB3      TRP  64  -5.801  -6.443  -3.981
  427    HD1  TRP  64           HD       TRP  64  -6.328  -8.457  -6.758
  428    HE1  TRP  64           HNE      TRP  64  -7.783  -7.717  -8.595
  429    HE3  TRP  64           HE       TRP  64  -8.457  -4.383  -4.441
  430    HZ2  TRP  64           HZ1      TRP  64  -9.589  -5.501  -9.160
  431    HZ3  TRP  64           HZ2      TRP  64  -9.964  -2.908  -5.750
  432    HH2  TRP  64           HH       TRP  64 -10.561  -3.492  -8.101
  433    H    LYS  65           HN       LYS  65  -6.966 -10.132  -2.214
  434    HA   LYS  65           HA       LYS  65  -4.912  -9.740  -0.299
  435   1HB   LYS  65           HB2      LYS  65  -7.240 -11.036  -0.272
  436   2HB   LYS  65           HB3      LYS  65  -6.210 -12.444  -0.540
  437   1HG   LYS  65           HG2      LYS  65  -5.099 -12.111   1.539
  438   2HG   LYS  65           HG3      LYS  65  -5.632 -10.430   1.688
  439   1HD   LYS  65           HD2      LYS  65  -7.553 -12.796   1.805
  440   2HD   LYS  65           HD3      LYS  65  -6.802 -12.036   3.219
  441   1HE   LYS  65           HE2      LYS  65  -7.812  -9.808   2.458
  442   2HE   LYS  65           HE3      LYS  65  -8.725 -10.701   1.252
  443   1HZ   LYS  65           HNZ3     LYS  65  -9.002 -11.159   4.165
  444   2HZ   LYS  65           HNZ1     LYS  65  -9.970 -10.268   3.224
  445   3HZ   LYS  65           HNZ2     LYS  65  -9.813 -11.903   2.913
  446    H    SER  66           HN       SER  66  -4.974 -11.524  -3.359
  447    HA   SER  66           HA       SER  66  -2.487 -12.833  -3.187
  448   1HB   SER  66           HB2      SER  66  -3.628 -11.415  -5.631
  449   2HB   SER  66           HB3      SER  66  -2.475 -12.760  -5.588
  450    HG   SER  66           HOG      SER  66  -5.222 -12.724  -5.140
  451    H    TYR  67           HN       TYR  67  -3.207  -9.385  -4.090
  452    HA   TYR  67           HA       TYR  67  -0.437  -8.692  -4.635
  453   1HB   TYR  67           HB2      TYR  67  -2.894  -7.043  -3.813
  454   2HB   TYR  67           HB3      TYR  67  -1.334  -6.323  -3.976
  455    HD1  TYR  67           HD1      TYR  67  -0.263  -7.442  -6.524
  456    HD2  TYR  67           HD2      TYR  67  -4.249  -6.175  -5.495
  457    HE1  TYR  67           HE1      TYR  67  -0.796  -7.123  -8.922
  458    HE2  TYR  67           HE2      TYR  67  -4.782  -5.904  -7.891
  459    HH   TYR  67           HOH      TYR  67  -3.937  -5.838 -10.036
  460    H    ILE  68           HN       ILE  68  -2.514  -8.663  -1.679
  461    HA   ILE  68           HA       ILE  68  -0.591  -7.269  -0.221
  462    HB   ILE  68           HB       ILE  68  -2.840  -9.205   0.378
  463   1HG1  ILE  68           HG12     ILE  68  -4.069  -7.435   1.028
  464   2HG1  ILE  68           HG13     ILE  68  -2.700  -6.530   1.643
  465   1HG2  ILE  68           HG23     ILE  68  -1.263  -9.765   2.146
  466   2HG2  ILE  68           HG21     ILE  68  -1.155  -8.053   2.606
  467   3HG2  ILE  68           HG22     ILE  68  -2.693  -8.952   2.735
  468   1HD1  ILE  68           HD2      ILE  68  -2.076  -5.866  -0.715
  469   2HD1  ILE  68           HD3      ILE  68  -3.480  -6.743  -1.300
  470   3HD1  ILE  68           HD1      ILE  68  -3.667  -5.348  -0.261
  471    H    GLN  69           HN       GLN  69  -1.072 -10.783  -0.651
  472    HA   GLN  69           HA       GLN  69   1.256 -11.564   0.809
  473   1HB   GLN  69           HB2      GLN  69  -0.622 -12.800  -1.157
  474   2HB   GLN  69           HB3      GLN  69   0.983 -13.513  -1.052
  475   1HG   GLN  69           HG2      GLN  69  -0.739 -14.505   0.542
  476   2HG   GLN  69           HG3      GLN  69   0.791 -13.993   1.255
  477   1HE2  GLN  69           HNE2     GLN  69  -2.569 -11.746   2.152
  478   2HE2  GLN  69           HNE1     GLN  69  -2.428 -12.394   0.531
  479    H    LYS  70           HN       LYS  70   0.885 -10.450  -2.580
  480    HA   LYS  70           HA       LYS  70   3.599 -10.828  -3.272
  481   1HB   LYS  70           HB2      LYS  70   1.587 -10.110  -4.784
  482   2HB   LYS  70           HB3      LYS  70   1.925  -8.476  -4.226
  483   1HG   LYS  70           HG2      LYS  70   4.192  -8.529  -5.088
  484   2HG   LYS  70           HG3      LYS  70   3.970 -10.204  -5.633
  485   1HD   LYS  70           HD2      LYS  70   2.137  -9.528  -7.121
  486   2HD   LYS  70           HD3      LYS  70   2.245  -7.849  -6.586
  487   1HE   LYS  70           HE2      LYS  70   4.551  -9.339  -7.929
  488   2HE   LYS  70           HE3      LYS  70   3.350  -8.397  -8.820
  489   1HZ   LYS  70           HNZ2     LYS  70   5.106  -7.238  -6.747
  490   2HZ   LYS  70           HNZ3     LYS  70   5.326  -7.164  -8.366
  491   3HZ   LYS  70           HNZ1     LYS  70   4.038  -6.429  -7.721
  492    H    ASN  71           HN       ASN  71   2.117  -7.759  -1.953
  493    HA   ASN  71           HA       ASN  71   4.505  -6.378  -1.545
  494   1HB   ASN  71           HB2      ASN  71   1.878  -6.558   0.009
  495   2HB   ASN  71           HB3      ASN  71   3.162  -5.487   0.518
  496   1HD2  ASN  71           HND2     ASN  71   1.287  -4.617  -3.051
  497   2HD2  ASN  71           HND1     ASN  71   1.239  -6.267  -2.472
  498    H    ARG  72           HN       ARG  72   3.057  -8.905   0.614
  499    HA   ARG  72           HA       ARG  72   5.164  -8.647   2.496
  500   1HB   ARG  72           HB2      ARG  72   3.005 -10.556   1.882
  501   2HB   ARG  72           HB3      ARG  72   4.455 -11.364   2.460
  502   1HG   ARG  72           HG2      ARG  72   4.533  -9.887   4.437
  503   2HG   ARG  72           HG3      ARG  72   3.174  -8.951   3.791
  504   1HD   ARG  72           HD2      ARG  72   1.805 -11.090   3.877
  505   2HD   ARG  72           HD3      ARG  72   3.121 -11.800   4.826
  506    HE   ARG  72           HNE      ARG  72   2.906  -9.932   6.447
  507   1HH1  ARG  72           HN22     ARG  72  -0.022 -10.931   4.586
  508   2HH1  ARG  72           HN21     ARG  72  -1.050  -9.895   5.581
  509   1HH2  ARG  72           HN12     ARG  72   1.460  -8.621   7.614
  510   2HH2  ARG  72           HN11     ARG  72  -0.285  -8.589   7.233
  511    H    ASP  73           HN       ASP  73   4.844 -10.746  -0.434
  512    HA   ASP  73           HA       ASP  73   7.121 -12.294  -0.103
  513   1HB   ASP  73           HB2      ASP  73   5.118 -12.271  -1.881
  514   2HB   ASP  73           HB3      ASP  73   6.285 -11.432  -2.870
  515    H    PHE  74           HN       PHE  74   6.689  -9.244  -1.694
  516    HA   PHE  74           HA       PHE  74   9.167  -8.738  -2.891
  517   1HB   PHE  74           HB2      PHE  74   6.935  -7.123  -1.677
  518   2HB   PHE  74           HB3      PHE  74   8.428  -6.297  -1.967
  519    HD1  PHE  74           HD1      PHE  74   7.393  -9.005  -4.341
  520    HD2  PHE  74           HD2      PHE  74   7.313  -4.786  -3.492
  521    HE1  PHE  74           HE1      PHE  74   7.526  -8.507  -6.762
  522    HE2  PHE  74           HE2      PHE  74   7.463  -4.294  -5.883
  523    HZ   PHE  74           HZ       PHE  74   7.600  -6.137  -7.548
  524    H    PHE  75           HN       PHE  75   8.411  -8.537   0.597
  525    HA   PHE  75           HA       PHE  75  11.272  -7.771   1.085
  526   1HB   PHE  75           HB2      PHE  75   8.800  -7.447   2.824
  527   2HB   PHE  75           HB3      PHE  75  10.423  -7.016   3.276
  528    HD1  PHE  75           HD1      PHE  75   7.614  -6.190   1.086
  529    HD2  PHE  75           HD2      PHE  75  11.458  -4.935   2.504
  530    HE1  PHE  75           HE1      PHE  75   7.098  -3.882   0.358
  531    HE2  PHE  75           HE2      PHE  75  10.933  -2.597   1.846
  532    HZ   PHE  75           HZ       PHE  75   8.669  -2.057   0.932
  533    H    LYS  76           HN       LYS  76   9.771 -10.501   0.696
  534    HA   LYS  76           HA       LYS  76  10.491 -11.786   3.297
  535   1HB   LYS  76           HB2      LYS  76   8.131 -11.855   2.184
  536   2HB   LYS  76           HB3      LYS  76   8.902 -12.992   1.034
  537   1HG   LYS  76           HG2      LYS  76   9.233 -14.612   2.753
  538   2HG   LYS  76           HG3      LYS  76   9.059 -13.412   4.028
  539   1HD   LYS  76           HD2      LYS  76   7.085 -14.906   3.876
  540   2HD   LYS  76           HD3      LYS  76   6.727 -13.184   3.779
  541   1HE   LYS  76           HE2      LYS  76   5.426 -14.747   2.204
  542   2HE   LYS  76           HE3      LYS  76   6.085 -13.257   1.551
  543   1HZ   LYS  76           HNZ2     LYS  76   7.930 -14.542   0.657
  544   2HZ   LYS  76           HNZ3     LYS  76   7.260 -15.950   1.186
  545   3HZ   LYS  76           HNZ1     LYS  76   6.558 -14.982   0.024
  546    H    LYS  77           HN       LYS  77  10.978 -11.892  -0.257
  547    HA   LYS  77           HA       LYS  77  12.671 -14.310  -0.110
  548   1HB   LYS  77           HB2      LYS  77  10.300 -14.932   0.283
  549   2HB   LYS  77           HB3      LYS  77   9.780 -14.017  -1.129
  550   1HG   LYS  77           HG2      LYS  77  11.858 -15.982  -1.804
  551   2HG   LYS  77           HG3      LYS  77  10.527 -16.695  -0.890
  552   1HD   LYS  77           HD2      LYS  77   9.984 -16.995  -3.158
  553   2HD   LYS  77           HD3      LYS  77   8.881 -15.753  -2.572
  554   1HE   LYS  77           HE2      LYS  77  11.489 -15.141  -4.072
  555   2HE   LYS  77           HE3      LYS  77   9.954 -15.456  -4.899
  556   1HZ   LYS  77           HNZ3     LYS  77  10.374 -13.237  -3.001
  557   2HZ   LYS  77           HNZ1     LYS  77  10.400 -13.106  -4.590
  558   3HZ   LYS  77           HNZ2     LYS  77   8.995 -13.561  -3.843
   
  No H/Q in entry =         557
  Start of MODEL   17
    1   1H    ALA   1           HN1      ALA   1  -1.757  -5.546   8.114
    2   2H    ALA   1           HN2      ALA   1  -2.150  -4.287   9.159
    3   2H    ALA   1           HN3      ALA   1  -2.150  -4.287   9.159
    4    HA   ALA   1           HA       ALA   1  -0.310  -3.028   8.525
    5   1HB   ALA   1           HB1      ALA   1   1.032  -5.229   7.967
    6   2HB   ALA   1           HB2      ALA   1   0.404  -4.908   6.334
    7   3HB   ALA   1           HB3      ALA   1   1.372  -3.673   7.171
    8    H    TYR   2           HN       TYR   2  -0.563  -1.547   6.786
    9    HA   TYR   2           HA       TYR   2  -3.051  -1.863   5.199
   10   1HB   TYR   2           HB2      TYR   2  -1.324   0.412   6.081
   11   2HB   TYR   2           HB3      TYR   2  -2.318   0.589   4.658
   12    HD1  TYR   2           HD2      TYR   2  -2.480  -0.079   8.324
   13    HD2  TYR   2           HD1      TYR   2  -4.738   0.657   4.729
   14    HE1  TYR   2           HE2      TYR   2  -4.509   0.377   9.682
   15    HE2  TYR   2           HE1      TYR   2  -6.751   1.077   6.073
   16    HH   TYR   2           HOH      TYR   2  -7.467   1.692   8.211
   17    H    VAL   3           HN       VAL   3  -2.993  -2.325   3.076
   18    HA   VAL   3           HA       VAL   3  -0.309  -2.479   1.767
   19    HB   VAL   3           HB       VAL   3  -2.367  -4.616   1.410
   20   1HG1  VAL   3           HG13     VAL   3   0.684  -4.478   1.421
   21   2HG1  VAL   3           HG11     VAL   3  -0.203  -6.000   1.370
   22   3HG1  VAL   3           HG12     VAL   3  -0.398  -4.834   0.053
   23   1HG2  VAL   3           HG23     VAL   3  -0.665  -4.445   3.909
   24   2HG2  VAL   3           HG21     VAL   3  -2.435  -4.652   3.758
   25   3HG2  VAL   3           HG22     VAL   3  -1.348  -5.954   3.289
   26    H    ILE   4           HN       ILE   4  -0.401  -2.800  -0.522
   27    HA   ILE   4           HA       ILE   4  -2.162  -0.884  -1.673
   28    HB   ILE   4           HB       ILE   4   0.340  -1.844  -2.290
   29   1HG1  ILE   4           HG12     ILE   4   0.068  -1.061  -4.663
   30   2HG1  ILE   4           HG13     ILE   4  -1.677  -0.942  -4.424
   31   1HG2  ILE   4           HG23     ILE   4  -0.405  -4.083  -2.707
   32   2HG2  ILE   4           HG21     ILE   4  -1.285  -3.534  -4.166
   33   3HG2  ILE   4           HG22     ILE   4   0.464  -3.323  -4.063
   34   1HD1  ILE   4           HD1      ILE   4   0.464   0.620  -2.899
   35   2HD1  ILE   4           HD2      ILE   4  -0.535   1.235  -4.221
   36   3HD1  ILE   4           HD3      ILE   4  -1.290   0.824  -2.684
   37    H    THR   5           HN       THR   5  -3.695  -1.231  -3.444
   38    HA   THR   5           HA       THR   5  -4.496  -4.084  -3.884
   39    HB   THR   5           HB       THR   5  -6.733  -3.171  -4.577
   40    HG1  THR   5           HOG      THR   5  -6.015  -0.947  -2.959
   41   1HG2  THR   5           HG3      THR   5  -6.460  -4.400  -2.512
   42   2HG2  THR   5           HG1      THR   5  -6.052  -2.898  -1.636
   43   3HG2  THR   5           HG2      THR   5  -7.678  -3.129  -2.328
   44    H    GLU   6           HN       GLU   6  -5.647  -1.306  -5.530
   45    HA   GLU   6           HA       GLU   6  -4.549  -2.359  -8.086
   46   1HB   GLU   6           HB2      GLU   6  -6.192  -3.867  -7.415
   47   2HB   GLU   6           HB3      GLU   6  -7.316  -2.584  -7.090
   48   1HG   GLU   6           HG2      GLU   6  -8.139  -2.926  -9.141
   49   2HG   GLU   6           HG3      GLU   6  -6.668  -2.217  -9.821
   50    HA   PRO   7           HA       PRO   7  -7.073   1.622  -9.129
   51   1HB   PRO   7           HB2      PRO   7  -7.227   3.098  -6.555
   52   2HB   PRO   7           HB3      PRO   7  -8.431   2.931  -7.855
   53   1HG   PRO   7           HG2      PRO   7  -8.305   1.496  -5.371
   54   2HG   PRO   7           HG3      PRO   7  -9.424   1.180  -6.720
   55   1HD   PRO   7           HD2      PRO   7  -7.346  -0.516  -5.844
   56   2HD   PRO   7           HD3      PRO   7  -8.289  -0.643  -7.349
   57    H    CYS   8           HN       CYS   8  -4.441   1.550  -6.741
   58    HA   CYS   8           HA       CYS   8  -3.217   4.049  -7.343
   59   1HB   CYS   8           HB2      CYS   8  -2.612   2.662  -5.418
   60   2HB   CYS   8           HB3      CYS   8  -2.095   1.388  -6.511
   61    H    ILE   9           HN       ILE   9  -3.325   0.982  -9.151
   62    HA   ILE   9           HA       ILE   9  -0.914   0.914 -10.339
   63    HB   ILE   9           HB       ILE   9  -3.547   0.009 -11.371
   64   1HG1  ILE   9           HG12     ILE   9  -1.096  -1.444 -10.313
   65   2HG1  ILE   9           HG13     ILE   9  -2.436  -0.953  -9.272
   66   1HG2  ILE   9           HG23     ILE   9  -0.755  -0.517 -12.541
   67   2HG2  ILE   9           HG21     ILE   9  -2.219  -1.413 -12.990
   68   3HG2  ILE   9           HG22     ILE   9  -2.097   0.299 -13.377
   69   1HD1  ILE   9           HD2      ILE   9  -3.912  -2.299 -10.960
   70   2HD1  ILE   9           HD3      ILE   9  -2.362  -3.085 -11.378
   71   3HD1  ILE   9           HD1      ILE   9  -2.961  -3.129  -9.708
   72    H    GLY  10           HN       GLY  10   0.254   1.945 -11.852
   73   1HA   GLY  10           HA2      GLY  10   0.423   3.316 -13.805
   74   2HA   GLY  10           HA3      GLY  10  -1.036   4.188 -13.331
   75    H    THR  11           HN       THR  11  -0.585   4.590 -10.585
   76    HA   THR  11           HA       THR  11   0.875   7.001 -10.740
   77    HB   THR  11           HB       THR  11   0.105   5.526  -8.192
   78    HG1  THR  11           HOG      THR  11  -1.733   5.471  -9.268
   79   1HG2  THR  11           HG1      THR  11   0.180   8.491  -8.934
   80   2HG2  THR  11           HG2      THR  11  -0.386   7.820  -7.390
   81   3HG2  THR  11           HG3      THR  11   1.314   7.655  -7.846
   82    H    LYS  12           HN       LYS  12   2.966   7.539 -10.240
   83    HA   LYS  12           HA       LYS  12   4.822   5.543  -8.981
   84   1HB   LYS  12           HB2      LYS  12   5.250   7.118 -11.550
   85   2HB   LYS  12           HB3      LYS  12   6.530   6.220 -10.726
   86   1HG   LYS  12           HG2      LYS  12   5.773   4.163 -11.366
   87   2HG   LYS  12           HG3      LYS  12   4.085   4.675 -11.426
   88   1HD   LYS  12           HD2      LYS  12   4.536   6.032 -13.459
   89   2HD   LYS  12           HD3      LYS  12   6.234   5.525 -13.431
   90   1HE   LYS  12           HE2      LYS  12   4.754   4.273 -15.069
   91   2HE   LYS  12           HE3      LYS  12   5.635   3.229 -13.934
   92   1HZ   LYS  12           HNZ1     LYS  12   2.860   4.087 -13.427
   93   2HZ   LYS  12           HNZ2     LYS  12   3.231   2.673 -14.212
   94   3HZ   LYS  12           HNZ3     LYS  12   3.733   2.908 -12.686
   95    H    ASP  13           HN       ASP  13   3.340   8.009  -8.189
   96    HA   ASP  13           HA       ASP  13   5.263  10.183  -8.556
   97   1HB   ASP  13           HB2      ASP  13   2.297  10.107  -7.838
   98   2HB   ASP  13           HB3      ASP  13   3.259  11.562  -8.175
   99    H    ALA  14           HN       ALA  14   3.009  10.719  -6.082
  100    HA   ALA  14           HA       ALA  14   4.608  10.022  -3.783
  101   1HB   ALA  14           HB1      ALA  14   5.834  12.025  -4.715
  102   2HB   ALA  14           HB2      ALA  14   4.311  12.941  -4.670
  103   3HB   ALA  14           HB3      ALA  14   5.062  12.378  -3.166
  104    H    SER  15           HN       SER  15   3.396  10.894  -1.861
  105    HA   SER  15           HA       SER  15   1.371  12.168  -1.210
  106   1HB   SER  15           HB2      SER  15   0.039  10.024  -2.904
  107   2HB   SER  15           HB3      SER  15  -0.787  10.817  -1.557
  108    HG   SER  15           HOG      SER  15   0.316  12.030  -3.850
  109    H    CYS  16           HN       CYS  16   1.651   8.574  -1.501
  110    HA   CYS  16           HA       CYS  16   1.023   8.268   1.335
  111   1HB   CYS  16           HB2      CYS  16   1.392   5.921   0.932
  112   2HB   CYS  16           HB3      CYS  16   0.123   6.646  -0.047
  113    H    VAL  17           HN       VAL  17   3.911   7.715  -0.707
  114    HA   VAL  17           HA       VAL  17   5.540   6.637   1.224
  115    HB   VAL  17           HB       VAL  17   6.154   6.647  -1.076
  116   1HG1  VAL  17           HG12     VAL  17   5.395   8.901  -1.758
  117   2HG1  VAL  17           HG13     VAL  17   6.744   9.628  -0.861
  118   3HG1  VAL  17           HG11     VAL  17   7.063   8.585  -2.257
  119   1HG2  VAL  17           HG23     VAL  17   7.934   6.508   0.750
  120   2HG2  VAL  17           HG21     VAL  17   8.504   6.933  -0.874
  121   3HG2  VAL  17           HG22     VAL  17   8.336   8.193   0.366
  122    H    GLU  18           HN       GLU  18   5.123  10.181   0.712
  123    HA   GLU  18           HA       GLU  18   7.149  10.982   2.474
  124   1HB   GLU  18           HB2      GLU  18   4.527  12.479   2.053
  125   2HB   GLU  18           HB3      GLU  18   6.108  13.121   2.519
  126   1HG   GLU  18           HG2      GLU  18   6.155  13.684   0.327
  127   2HG   GLU  18           HG3      GLU  18   6.851  12.067   0.191
  128    H    VAL  19           HN       VAL  19   3.888   9.815   3.283
  129    HA   VAL  19           HA       VAL  19   3.911  11.425   5.745
  130    HB   VAL  19           HB       VAL  19   1.626  11.040   5.917
  131   1HG1  VAL  19           HG11     VAL  19   2.352  12.620   4.161
  132   2HG1  VAL  19           HG12     VAL  19   2.320  11.320   2.957
  133   3HG1  VAL  19           HG13     VAL  19   0.814  11.843   3.732
  134   1HG2  VAL  19           HG22     VAL  19   1.526   8.573   5.406
  135   2HG2  VAL  19           HG23     VAL  19   0.274   9.546   4.634
  136   3HG2  VAL  19           HG21     VAL  19   1.639   8.978   3.684
  137    H    CYS  20           HN       CYS  20   4.811   8.208   5.002
  138    HA   CYS  20           HA       CYS  20   3.444   6.915   7.045
  139   1HB   CYS  20           HB2      CYS  20   4.239   5.802   5.094
  140   2HB   CYS  20           HB3      CYS  20   5.907   6.119   5.580
  141    HA   PRO  21           HA       PRO  21   5.879   8.308  10.570
  142   1HB   PRO  21           HB2      PRO  21   4.509   6.009  11.950
  143   2HB   PRO  21           HB3      PRO  21   4.671   7.701  12.492
  144   1HG   PRO  21           HG2      PRO  21   2.328   6.755  11.453
  145   2HG   PRO  21           HG3      PRO  21   2.914   8.398  11.044
  146   1HD   PRO  21           HD2      PRO  21   3.121   5.876   9.408
  147   2HD   PRO  21           HD3      PRO  21   2.695   7.548   8.919
  148    H    VAL  22           HN       VAL  22   6.184   5.219   9.058
  149    HA   VAL  22           HA       VAL  22   8.606   4.626  10.651
  150    HB   VAL  22           HB       VAL  22   6.710   3.328  11.519
  151   1HG1  VAL  22           HG11     VAL  22   6.018   2.814   8.802
  152   2HG1  VAL  22           HG12     VAL  22   6.431   1.264   9.501
  153   3HG1  VAL  22           HG13     VAL  22   5.212   2.260  10.262
  154   1HG2  VAL  22           HG23     VAL  22   9.257   2.545  11.251
  155   2HG2  VAL  22           HG21     VAL  22   8.004   1.571  12.043
  156   3HG2  VAL  22           HG22     VAL  22   8.470   1.242  10.373
  157    H    ASP  23           HN       ASP  23   8.824   6.088   8.627
  158    HA   ASP  23           HA       ASP  23   8.956   6.081   6.188
  159   1HB   ASP  23           HB2      ASP  23  11.542   5.764   7.750
  160   2HB   ASP  23           HB3      ASP  23  11.373   6.540   6.169
  161    H    CYS  24           HN       CYS  24   8.148   4.133   5.198
  162    HA   CYS  24           HA       CYS  24  10.431   3.113   3.818
  163   1HB   CYS  24           HB2      CYS  24   9.944   1.267   5.561
  164   2HB   CYS  24           HB3      CYS  24   8.571   0.832   4.544
  165    HG   CYS  24           HSG      CYS  24  10.303  -0.649   3.464
  166    H    ILE  25           HN       ILE  25   7.935   1.177   2.646
  167    HA   ILE  25           HA       ILE  25   6.418   1.412   1.054
  168    HB   ILE  25           HB       ILE  25   6.612   4.463   1.251
  169   1HG1  ILE  25           HG12     ILE  25   4.220   4.278   1.853
  170   2HG1  ILE  25           HG13     ILE  25   4.347   2.515   1.856
  171   1HG2  ILE  25           HG21     ILE  25   4.900   2.826  -0.615
  172   2HG2  ILE  25           HG22     ILE  25   4.797   4.569  -0.345
  173   3HG2  ILE  25           HG23     ILE  25   6.243   3.893  -1.084
  174   1HD1  ILE  25           HD3      ILE  25   5.947   4.331   3.696
  175   2HD1  ILE  25           HD1      ILE  25   4.370   3.614   4.087
  176   3HD1  ILE  25           HD2      ILE  25   5.757   2.558   3.825
  177    H    HIS  26           HN       HIS  26   6.765   1.003  -1.073
  178    HA   HIS  26           HA       HIS  26   9.393   1.839  -2.228
  179   1HB   HIS  26           HB2      HIS  26   8.580  -0.755  -1.069
  180   2HB   HIS  26           HB3      HIS  26   9.332  -0.829  -2.664
  181    HD1  HIS  26           HND      HIS  26  11.734   0.717  -2.806
  182    HD2  HIS  26           HD       HIS  26  10.306  -0.882   0.809
  183    HE1  HIS  26           HE       HIS  26  13.765   0.555  -1.233
  184    H    GLU  27           HN       GLU  27   9.693   0.622  -4.326
  185    HA   GLU  27           HA       GLU  27   7.348   1.200  -5.954
  186   1HB   GLU  27           HB2      GLU  27  10.060   0.583  -7.111
  187   2HB   GLU  27           HB3      GLU  27   8.803   1.722  -7.615
  188   1HG   GLU  27           HG2      GLU  27  10.495   3.080  -6.913
  189   2HG   GLU  27           HG3      GLU  27   9.534   3.041  -5.433
  190    H    GLY  28           HN       GLY  28   6.500  -0.256  -7.403
  191   1HA   GLY  28           HA2      GLY  28   7.502  -3.087  -7.449
  192   2HA   GLY  28           HA3      GLY  28   5.823  -2.579  -7.712
  193    H    GLU  29           HN       GLU  29   6.228  -3.789  -9.767
  194    HA   GLU  29           HA       GLU  29   7.993  -3.059 -11.769
  195   1HB   GLU  29           HB2      GLU  29   5.153  -4.231 -11.900
  196   2HB   GLU  29           HB3      GLU  29   6.340  -4.211 -13.196
  197   1HG   GLU  29           HG2      GLU  29   6.702  -6.313 -12.368
  198   2HG   GLU  29           HG3      GLU  29   7.903  -5.431 -11.425
  199    H    ASP  30           HN       ASP  30   4.533  -2.209 -11.626
  200    HA   ASP  30           HA       ASP  30   4.993   0.161 -13.380
  201   1HB   ASP  30           HB2      ASP  30   3.175  -1.246 -14.110
  202   2HB   ASP  30           HB3      ASP  30   2.441  -1.265 -12.491
  203    H    GLN  31           HN       GLN  31   3.358  -0.729 -10.373
  204    HA   GLN  31           HA       GLN  31   3.002   2.127  -9.655
  205   1HB   GLN  31           HB2      GLN  31   1.160   1.288  -8.286
  206   2HB   GLN  31           HB3      GLN  31   1.064   0.745  -9.972
  207   1HG   GLN  31           HG2      GLN  31   1.752  -1.482  -9.469
  208   2HG   GLN  31           HG3      GLN  31   2.329  -0.978  -7.888
  209   1HE2  GLN  31           HNE2     GLN  31  -1.347  -0.862  -6.867
  210   2HE2  GLN  31           HNE1     GLN  31  -0.219   0.456  -7.097
  211    H    TYR  32           HN       TYR  32   2.652   2.128  -6.991
  212    HA   TYR  32           HA       TYR  32   5.232   1.140  -5.860
  213   1HB   TYR  32           HB2      TYR  32   3.166   3.128  -4.830
  214   2HB   TYR  32           HB3      TYR  32   4.583   2.539  -3.962
  215    HD1  TYR  32           HD1      TYR  32   6.106   2.903  -7.017
  216    HD2  TYR  32           HD2      TYR  32   4.179   5.311  -3.993
  217    HE1  TYR  32           HE1      TYR  32   7.594   4.795  -7.559
  218    HE2  TYR  32           HE2      TYR  32   5.610   7.226  -4.614
  219    HH   TYR  32           HOH      TYR  32   7.030   8.053  -6.327
  220    H    TYR  33           HN       TYR  33   5.238   0.236  -3.789
  221    HA   TYR  33           HA       TYR  33   2.779  -1.206  -2.844
  222   1HB   TYR  33           HB2      TYR  33   5.638  -2.218  -2.908
  223   2HB   TYR  33           HB3      TYR  33   4.313  -3.091  -2.219
  224    HD1  TYR  33           HD1      TYR  33   2.393  -2.191  -4.726
  225    HD2  TYR  33           HD2      TYR  33   6.022  -4.418  -4.122
  226    HE1  TYR  33           HE1      TYR  33   2.200  -3.062  -6.963
  227    HE2  TYR  33           HE2      TYR  33   5.674  -5.517  -6.302
  228    HH   TYR  33           HOH      TYR  33   4.313  -4.887  -8.618
  229    H    ILE  34           HN       ILE  34   3.266  -2.099  -0.626
  230    HA   ILE  34           HA       ILE  34   4.781  -0.162   1.066
  231    HB   ILE  34           HB       ILE  34   1.997  -1.296   1.630
  232   1HG1  ILE  34           HG12     ILE  34   1.763   1.432   1.865
  233   2HG1  ILE  34           HG13     ILE  34   2.951   1.324   0.562
  234   1HG2  ILE  34           HG21     ILE  34   3.786   0.458   3.368
  235   2HG2  ILE  34           HG22     ILE  34   2.087   0.063   3.699
  236   3HG2  ILE  34           HG23     ILE  34   3.288  -1.203   3.736
  237   1HD1  ILE  34           HD3      ILE  34   1.355  -0.246  -0.644
  238   2HD1  ILE  34           HD1      ILE  34   0.178   0.078   0.646
  239   3HD1  ILE  34           HD2      ILE  34   0.755   1.399  -0.399
  240    H    ASP  35           HN       ASP  35   6.183  -1.227   2.300
  241    HA   ASP  35           HA       ASP  35   6.525  -3.960   2.860
  242   1HB   ASP  35           HB2      ASP  35   7.013  -1.554   4.612
  243   2HB   ASP  35           HB3      ASP  35   7.937  -3.083   4.608
  244    HA   PRO  36           HA       PRO  36   2.817  -3.712   5.487
  245   1HB   PRO  36           HB2      PRO  36   1.497  -6.018   4.794
  246   2HB   PRO  36           HB3      PRO  36   1.739  -4.717   3.605
  247   1HG   PRO  36           HG2      PRO  36   3.295  -7.290   3.887
  248   2HG   PRO  36           HG3      PRO  36   2.714  -6.486   2.409
  249   1HD   PRO  36           HD2      PRO  36   5.275  -6.240   3.690
  250   2HD   PRO  36           HD3      PRO  36   4.714  -5.297   2.314
  251    H    ASP  37           HN       ASP  37   5.168  -4.150   6.495
  252    HA   ASP  37           HA       ASP  37   5.394  -6.536   8.226
  253   1HB   ASP  37           HB2      ASP  37   6.063  -7.003   5.832
  254   2HB   ASP  37           HB3      ASP  37   7.262  -5.718   5.923
  255    H    VAL  38           HN       VAL  38   7.099  -3.729   6.743
  256    HA   VAL  38           HA       VAL  38   8.215  -2.774   9.257
  257    HB   VAL  38           HB       VAL  38   7.919  -1.527   6.478
  258   1HG1  VAL  38           HG12     VAL  38   8.866  -0.301   9.018
  259   2HG1  VAL  38           HG13     VAL  38   9.291   0.326   7.422
  260   3HG1  VAL  38           HG11     VAL  38   7.583   0.275   7.887
  261   1HG2  VAL  38           HG22     VAL  38   9.702  -3.268   6.814
  262   2HG2  VAL  38           HG23     VAL  38  10.347  -1.650   6.489
  263   3HG2  VAL  38           HG21     VAL  38  10.349  -2.287   8.148
  264    H    CYS  39           HN       CYS  39   5.277  -2.079   7.241
  265    HA   CYS  39           HA       CYS  39   4.360   0.152   8.564
  266   1HB   CYS  39           HB2      CYS  39   3.385  -0.849   6.532
  267   2HB   CYS  39           HB3      CYS  39   2.839  -2.177   7.510
  268    H    ILE  40           HN       ILE  40   3.603   0.615  10.538
  269    HA   ILE  40           HA       ILE  40   3.435  -1.426  12.618
  270    HB   ILE  40           HB       ILE  40   3.068   0.521  14.061
  271   1HG1  ILE  40           HG12     ILE  40   3.847   2.492  11.979
  272   2HG1  ILE  40           HG13     ILE  40   2.190   1.883  11.837
  273   1HG2  ILE  40           HG22     ILE  40   5.498   0.494  12.235
  274   2HG2  ILE  40           HG23     ILE  40   5.381   1.504  13.689
  275   3HG2  ILE  40           HG21     ILE  40   5.299  -0.260  13.827
  276   1HD1  ILE  40           HD3      ILE  40   3.365   3.026  14.388
  277   2HD1  ILE  40           HD1      ILE  40   2.318   3.894  13.239
  278   3HD1  ILE  40           HD2      ILE  40   1.689   2.476  14.107
  279    H    ASP  41           HN       ASP  41   1.173  -0.495  10.432
  280    HA   ASP  41           HA       ASP  41  -1.046  -0.504  10.185
  281   1HB   ASP  41           HB2      ASP  41  -1.033  -1.991  12.827
  282   2HB   ASP  41           HB3      ASP  41  -2.514  -1.338  12.142
  283    H    CYS  42           HN       CYS  42  -1.487   1.629   9.960
  284    HA   CYS  42           HA       CYS  42  -2.338   3.125  12.297
  285   1HB   CYS  42           HB2      CYS  42  -0.806   4.744  12.309
  286   2HB   CYS  42           HB3      CYS  42   0.257   3.396  11.934
  287    H    GLY  43           HN       GLY  43  -3.125   5.379  11.463
  288   1HA   GLY  43           HA2      GLY  43  -4.790   4.784   9.026
  289   2HA   GLY  43           HA3      GLY  43  -5.297   5.696  10.443
  290    H    ALA  44           HN       ALA  44  -2.143   6.118   8.840
  291    HA   ALA  44           HA       ALA  44  -2.863   8.955   8.277
  292   1HB   ALA  44           HB3      ALA  44  -0.176   7.531   8.161
  293   2HB   ALA  44           HB1      ALA  44  -0.471   9.263   7.903
  294   3HB   ALA  44           HB2      ALA  44  -0.796   8.532   9.486
  295    H    CYS  45           HN       CYS  45  -0.952   6.523   6.472
  296    HA   CYS  45           HA       CYS  45  -1.245   7.652   3.967
  297   1HB   CYS  45           HB2      CYS  45  -0.446   5.591   3.111
  298   2HB   CYS  45           HB3      CYS  45   0.423   6.026   4.559
  299    H    GLU  46           HN       GLU  46  -3.260   5.157   5.486
  300    HA   GLU  46           HA       GLU  46  -5.220   4.544   3.688
  301   1HB   GLU  46           HB2      GLU  46  -5.127   3.808   6.076
  302   2HB   GLU  46           HB3      GLU  46  -5.638   5.425   6.581
  303   1HG   GLU  46           HG2      GLU  46  -7.795   5.073   5.298
  304   2HG   GLU  46           HG3      GLU  46  -7.267   3.415   4.971
  305    H    ALA  47           HN       ALA  47  -5.095   7.605   5.596
  306    HA   ALA  47           HA       ALA  47  -7.627   8.546   4.544
  307   1HB   ALA  47           HB1      ALA  47  -6.821   9.171   6.786
  308   2HB   ALA  47           HB2      ALA  47  -5.440  10.028   6.067
  309   3HB   ALA  47           HB3      ALA  47  -7.094  10.600   5.770
  310    H    VAL  48           HN       VAL  48  -4.146   9.355   3.929
  311    HA   VAL  48           HA       VAL  48  -4.817  11.430   2.188
  312    HB   VAL  48           HB       VAL  48  -2.702  10.797   3.624
  313   1HG1  VAL  48           HG13     VAL  48  -1.983   8.858   2.198
  314   2HG1  VAL  48           HG11     VAL  48  -1.691   9.979   0.862
  315   3HG1  VAL  48           HG12     VAL  48  -0.755  10.119   2.359
  316   1HG2  VAL  48           HG21     VAL  48  -3.308  12.886   2.034
  317   2HG2  VAL  48           HG22     VAL  48  -1.841  12.698   2.996
  318   3HG2  VAL  48           HG23     VAL  48  -1.818  12.305   1.259
  319    H    CYS  49           HN       CYS  49  -4.108   7.992   1.534
  320    HA   CYS  49           HA       CYS  49  -3.418   8.229  -1.138
  321   1HB   CYS  49           HB2      CYS  49  -3.148   6.198   0.184
  322   2HB   CYS  49           HB3      CYS  49  -4.877   6.003   0.235
  323    HA   PRO  50           HA       PRO  50  -7.281   9.574  -3.062
  324   1HB   PRO  50           HB2      PRO  50  -6.089   8.074  -5.402
  325   2HB   PRO  50           HB3      PRO  50  -6.919   9.659  -5.397
  326   1HG   PRO  50           HG2      PRO  50  -4.202   9.527  -5.459
  327   2HG   PRO  50           HG3      PRO  50  -5.016  10.723  -4.404
  328   1HD   PRO  50           HD2      PRO  50  -3.799   8.073  -3.640
  329   2HD   PRO  50           HD3      PRO  50  -3.733   9.647  -2.792
  330    H    VAL  51           HN       VAL  51  -9.162   8.559  -2.686
  331    HA   VAL  51           HA       VAL  51 -10.765   7.043  -2.448
  332    HB   VAL  51           HB       VAL  51  -9.504   5.324  -4.618
  333   1HG1  VAL  51           HG13     VAL  51 -12.311   5.851  -3.599
  334   2HG1  VAL  51           HG11     VAL  51 -12.062   5.333  -5.270
  335   3HG1  VAL  51           HG12     VAL  51 -11.508   4.307  -3.949
  336   1HG2  VAL  51           HG23     VAL  51 -10.954   7.972  -5.008
  337   2HG2  VAL  51           HG21     VAL  51  -9.299   7.568  -5.520
  338   3HG2  VAL  51           HG22     VAL  51 -10.660   6.778  -6.291
  339    H    SER  52           HN       SER  52  -8.089   6.716  -1.028
  340    HA   SER  52           HA       SER  52  -6.902   5.296   0.224
  341   1HB   SER  52           HB2      SER  52  -8.286   3.815   1.744
  342   2HB   SER  52           HB3      SER  52  -8.664   5.541   1.765
  343    HG   SER  52           HOG      SER  52 -10.089   3.901  -0.003
  344    H    ALA  53           HN       ALA  53  -6.474   4.591  -2.262
  345    HA   ALA  53           HA       ALA  53  -7.147   1.938  -3.008
  346   1HB   ALA  53           HB1      ALA  53  -5.683   3.916  -4.203
  347   2HB   ALA  53           HB2      ALA  53  -4.381   2.827  -3.680
  348   3HB   ALA  53           HB3      ALA  53  -5.680   2.221  -4.720
  349    H    ILE  54           HN       ILE  54  -4.715   3.202  -0.766
  350    HA   ILE  54           HA       ILE  54  -3.600   0.626  -0.060
  351    HB   ILE  54           HB       ILE  54  -3.664   3.300   1.402
  352   1HG1  ILE  54           HG12     ILE  54  -1.452   1.862  -0.121
  353   2HG1  ILE  54           HG13     ILE  54  -2.414   3.175  -0.785
  354   1HG2  ILE  54           HG22     ILE  54  -2.258   0.650   2.002
  355   2HG2  ILE  54           HG23     ILE  54  -1.813   2.173   2.781
  356   3HG2  ILE  54           HG21     ILE  54  -3.430   1.526   3.016
  357   1HD1  ILE  54           HD3      ILE  54  -1.301   4.012   1.769
  358   2HD1  ILE  54           HD1      ILE  54  -0.029   3.478   0.651
  359   3HD1  ILE  54           HD2      ILE  54  -1.172   4.745   0.175
  360    H    TYR  55           HN       TYR  55  -4.799  -0.937   0.893
  361    HA   TYR  55           HA       TYR  55  -6.897  -0.225   2.877
  362   1HB   TYR  55           HB2      TYR  55  -7.028  -2.078   0.540
  363   2HB   TYR  55           HB3      TYR  55  -8.127  -2.252   1.914
  364    HD1  TYR  55           HD2      TYR  55  -9.300   0.142   2.593
  365    HD2  TYR  55           HD1      TYR  55  -8.055  -1.098  -1.345
  366    HE1  TYR  55           HE2      TYR  55 -10.983   1.649   1.575
  367    HE2  TYR  55           HE1      TYR  55  -9.791   0.346  -2.349
  368    HH   TYR  55           HOH      TYR  55 -10.797   2.684  -1.592
  369    H    HIS  56           HN       HIS  56  -7.250  -1.768   4.484
  370    HA   HIS  56           HA       HIS  56  -4.809  -3.060   5.270
  371   1HB   HIS  56           HB2      HIS  56  -6.548  -2.001   6.760
  372   2HB   HIS  56           HB3      HIS  56  -7.601  -3.382   6.441
  373    HD1  HIS  56           HND      HIS  56  -7.064  -5.582   7.911
  374    HD2  HIS  56           HD       HIS  56  -4.057  -2.650   7.879
  375    HE1  HIS  56           HE       HIS  56  -5.120  -6.529   9.245
  376    H    GLU  57           HN       GLU  57  -4.273  -5.274   5.292
  377    HA   GLU  57           HA       GLU  57  -5.090  -6.855   3.205
  378   1HB   GLU  57           HB2      GLU  57  -3.915  -8.656   4.528
  379   2HB   GLU  57           HB3      GLU  57  -3.018  -7.171   4.191
  380   1HG   GLU  57           HG2      GLU  57  -3.756  -6.565   6.657
  381   2HG   GLU  57           HG3      GLU  57  -4.027  -8.317   6.742
  382    H    ASP  58           HN       ASP  58  -6.807  -6.429   6.142
  383    HA   ASP  58           HA       ASP  58  -8.388  -8.874   6.024
  384   1HB   ASP  58           HB2      ASP  58  -8.016  -7.643   8.134
  385   2HB   ASP  58           HB3      ASP  58  -8.884  -6.233   7.481
  386    H    PHE  59           HN       PHE  59  -8.970  -5.362   5.359
  387    HA   PHE  59           HA       PHE  59 -11.601  -5.517   4.434
  388   1HB   PHE  59           HB2      PHE  59  -9.342  -3.546   3.937
  389   2HB   PHE  59           HB3      PHE  59 -11.048  -3.253   3.730
  390    HD1  PHE  59           HD2      PHE  59 -11.188  -4.976   6.724
  391    HD2  PHE  59           HD1      PHE  59  -9.767  -1.228   5.094
  392    HE1  PHE  59           HE2      PHE  59 -11.109  -4.026   8.974
  393    HE2  PHE  59           HE1      PHE  59  -9.730  -0.264   7.372
  394    HZ   PHE  59           HZ       PHE  59 -10.382  -1.662   9.325
  395    H    VAL  60           HN       VAL  60  -8.432  -5.653   2.965
  396    HA   VAL  60           HA       VAL  60  -8.959  -5.217   0.254
  397    HB   VAL  60           HB       VAL  60  -6.938  -6.776   1.818
  398   1HG1  VAL  60           HG12     VAL  60  -7.176  -6.933  -1.221
  399   2HG1  VAL  60           HG13     VAL  60  -5.697  -7.226  -0.309
  400   3HG1  VAL  60           HG11     VAL  60  -7.082  -8.296  -0.088
  401   1HG2  VAL  60           HG23     VAL  60  -7.144  -4.235   1.224
  402   2HG2  VAL  60           HG21     VAL  60  -5.582  -4.993   0.941
  403   3HG2  VAL  60           HG22     VAL  60  -6.744  -4.787  -0.419
  404    HA   PRO  61           HA       PRO  61 -11.715  -8.672  -0.572
  405   1HB   PRO  61           HB2      PRO  61 -11.407  -8.563  -3.408
  406   2HB   PRO  61           HB3      PRO  61 -12.681  -7.794  -2.434
  407   1HG   PRO  61           HG2      PRO  61 -10.360  -6.564  -3.754
  408   2HG   PRO  61           HG3      PRO  61 -11.807  -5.775  -3.071
  409   1HD   PRO  61           HD2      PRO  61  -9.170  -5.819  -1.907
  410   2HD   PRO  61           HD3      PRO  61 -10.691  -5.243  -1.164
  411    H    GLU  62           HN       GLU  62 -11.337 -10.950  -0.911
  412    HA   GLU  62           HA       GLU  62  -9.014 -12.162  -0.817
  413   1HB   GLU  62           HB2      GLU  62 -11.782 -12.708  -1.855
  414   2HB   GLU  62           HB3      GLU  62 -10.530 -13.877  -2.115
  415   1HG   GLU  62           HG2      GLU  62 -11.814 -14.233   0.035
  416   2HG   GLU  62           HG3      GLU  62 -10.067 -14.081   0.266
  417    H    GLU  63           HN       GLU  63 -10.688 -11.278  -3.821
  418    HA   GLU  63           HA       GLU  63  -9.093 -12.084  -5.884
  419   1HB   GLU  63           HB2      GLU  63 -11.144 -10.728  -6.006
  420   2HB   GLU  63           HB3      GLU  63 -10.234  -9.295  -5.486
  421   1HG   GLU  63           HG2      GLU  63 -10.424  -9.126  -7.836
  422   2HG   GLU  63           HG3      GLU  63  -8.765  -9.672  -7.582
  423    H    TRP  64           HN       TRP  64  -8.507  -9.222  -3.806
  424    HA   TRP  64           HA       TRP  64  -5.858  -8.707  -5.055
  425   1HB   TRP  64           HB2      TRP  64  -7.732  -6.984  -3.439
  426   2HB   TRP  64           HB3      TRP  64  -6.137  -6.482  -3.979
  427    HD1  TRP  64           HD       TRP  64  -6.721  -8.032  -6.951
  428    HE1  TRP  64           HNE      TRP  64  -7.932  -6.598  -8.718
  429    HE3  TRP  64           HE       TRP  64  -8.848  -4.461  -3.924
  430    HZ2  TRP  64           HZ1      TRP  64  -9.864  -4.560  -8.791
  431    HZ3  TRP  64           HZ2      TRP  64 -10.175  -2.638  -4.969
  432    HH2  TRP  64           HH       TRP  64 -10.725  -2.704  -7.385
  433    H    LYS  65           HN       LYS  65  -6.943 -10.514  -2.502
  434    HA   LYS  65           HA       LYS  65  -4.911  -9.869  -0.604
  435   1HB   LYS  65           HB2      LYS  65  -6.983 -11.615  -0.675
  436   2HB   LYS  65           HB3      LYS  65  -5.689 -12.747  -0.959
  437   1HG   LYS  65           HG2      LYS  65  -5.101 -12.707   1.221
  438   2HG   LYS  65           HG3      LYS  65  -5.031 -10.952   1.291
  439   1HD   LYS  65           HD2      LYS  65  -7.584 -12.623   1.549
  440   2HD   LYS  65           HD3      LYS  65  -6.668 -11.888   2.877
  441   1HE   LYS  65           HE2      LYS  65  -7.059  -9.622   1.771
  442   2HE   LYS  65           HE3      LYS  65  -8.170 -10.419   0.659
  443   1HZ   LYS  65           HNZ1     LYS  65  -9.491 -11.111   2.543
  444   2HZ   LYS  65           HNZ2     LYS  65  -8.520 -10.188   3.561
  445   3HZ   LYS  65           HNZ3     LYS  65  -9.380  -9.485   2.358
  446    H    SER  66           HN       SER  66  -4.875 -11.351  -3.736
  447    HA   SER  66           HA       SER  66  -2.410 -12.679  -3.924
  448   1HB   SER  66           HB2      SER  66  -2.549 -11.768  -6.297
  449   2HB   SER  66           HB3      SER  66  -4.020 -12.592  -5.743
  450    HG   SER  66           HOG      SER  66  -5.039 -10.777  -6.067
  451    H    TYR  67           HN       TYR  67  -3.111  -9.226  -4.585
  452    HA   TYR  67           HA       TYR  67  -0.437  -8.315  -4.750
  453   1HB   TYR  67           HB2      TYR  67  -2.946  -6.877  -3.743
  454   2HB   TYR  67           HB3      TYR  67  -1.390  -6.108  -3.870
  455    HD1  TYR  67           HD2      TYR  67  -0.226  -6.347  -6.308
  456    HD2  TYR  67           HD1      TYR  67  -4.450  -6.750  -5.553
  457    HE1  TYR  67           HE2      TYR  67  -0.710  -5.857  -8.693
  458    HE2  TYR  67           HE1      TYR  67  -4.925  -6.198  -7.921
  459    HH   TYR  67           HOH      TYR  67  -3.991  -5.356  -9.900
  460    H    ILE  68           HN       ILE  68  -2.531  -8.632  -1.796
  461    HA   ILE  68           HA       ILE  68  -0.688  -7.332  -0.204
  462    HB   ILE  68           HB       ILE  68  -2.870  -9.393   0.216
  463   1HG1  ILE  68           HG12     ILE  68  -4.136  -7.741   1.071
  464   2HG1  ILE  68           HG13     ILE  68  -2.779  -6.799   1.672
  465   1HG2  ILE  68           HG23     ILE  68  -1.126  -8.412   2.478
  466   2HG2  ILE  68           HG21     ILE  68  -2.708  -9.212   2.652
  467   3HG2  ILE  68           HG22     ILE  68  -1.366 -10.092   1.934
  468   1HD1  ILE  68           HD3      ILE  68  -3.648  -6.931  -1.244
  469   2HD1  ILE  68           HD1      ILE  68  -3.906  -5.598  -0.137
  470   3HD1  ILE  68           HD2      ILE  68  -2.285  -5.990  -0.635
  471    H    GLN  69           HN       GLN  69  -1.027 -10.835  -0.926
  472    HA   GLN  69           HA       GLN  69   1.305 -11.624   0.523
  473   1HB   GLN  69           HB2      GLN  69  -0.353 -12.744  -1.771
  474   2HB   GLN  69           HB3      GLN  69   1.115 -13.559  -1.246
  475   1HG   GLN  69           HG2      GLN  69   0.276 -13.999   0.907
  476   2HG   GLN  69           HG3      GLN  69  -0.994 -12.771   0.774
  477   1HE2  GLN  69           HNE2     GLN  69  -3.219 -14.784  -1.181
  478   2HE2  GLN  69           HNE1     GLN  69  -2.643 -13.125  -0.985
  479    H    LYS  70           HN       LYS  70   0.873 -10.243  -2.763
  480    HA   LYS  70           HA       LYS  70   3.541 -10.685  -3.601
  481   1HB   LYS  70           HB2      LYS  70   1.466  -9.853  -4.946
  482   2HB   LYS  70           HB3      LYS  70   1.916  -8.246  -4.376
  483   1HG   LYS  70           HG2      LYS  70   4.116  -8.407  -5.391
  484   2HG   LYS  70           HG3      LYS  70   3.780 -10.069  -5.923
  485   1HD   LYS  70           HD2      LYS  70   1.789  -9.217  -7.212
  486   2HD   LYS  70           HD3      LYS  70   2.248  -7.560  -6.804
  487   1HE   LYS  70           HE2      LYS  70   3.979  -9.570  -8.345
  488   2HE   LYS  70           HE3      LYS  70   3.003  -8.294  -9.084
  489   1HZ   LYS  70           HNZ1     LYS  70   5.225  -7.767  -7.214
  490   2HZ   LYS  70           HNZ2     LYS  70   5.304  -7.672  -8.849
  491   3HZ   LYS  70           HNZ3     LYS  70   4.333  -6.657  -8.050
  492    H    ASN  71           HN       ASN  71   2.146  -7.714  -2.001
  493    HA   ASN  71           HA       ASN  71   4.631  -6.378  -1.650
  494   1HB   ASN  71           HB2      ASN  71   2.023  -6.453  -0.078
  495   2HB   ASN  71           HB3      ASN  71   3.374  -5.422   0.378
  496   1HD2  ASN  71           HND2     ASN  71   1.857  -4.405  -3.302
  497   2HD2  ASN  71           HND1     ASN  71   2.134  -6.097  -2.966
  498    H    ARG  72           HN       ARG  72   2.943  -8.819   0.360
  499    HA   ARG  72           HA       ARG  72   4.886  -8.957   2.384
  500   1HB   ARG  72           HB2      ARG  72   2.488 -10.132   2.130
  501   2HB   ARG  72           HB3      ARG  72   3.481 -11.440   1.515
  502   1HG   ARG  72           HG2      ARG  72   4.523 -11.860   3.495
  503   2HG   ARG  72           HG3      ARG  72   4.431 -10.209   4.067
  504   1HD   ARG  72           HD2      ARG  72   2.031 -12.085   3.871
  505   2HD   ARG  72           HD3      ARG  72   2.992 -11.896   5.335
  506    HE   ARG  72           HNE      ARG  72   0.842 -10.238   4.510
  507   1HH1  ARG  72           HN22     ARG  72   4.088  -9.836   5.987
  508   2HH1  ARG  72           HN21     ARG  72   3.639  -8.264   6.630
  509   1HH2  ARG  72           HN12     ARG  72   0.245  -8.413   5.872
  510   2HH2  ARG  72           HN11     ARG  72   1.580  -7.513   6.577
  511    H    ASP  73           HN       ASP  73   4.765 -10.546  -0.814
  512    HA   ASP  73           HA       ASP  73   6.816 -12.360  -0.409
  513   1HB   ASP  73           HB2      ASP  73   5.148 -12.202  -2.384
  514   2HB   ASP  73           HB3      ASP  73   6.209 -11.013  -3.089
  515    H    PHE  74           HN       PHE  74   6.747  -9.225  -1.920
  516    HA   PHE  74           HA       PHE  74   9.457  -8.706  -2.507
  517   1HB   PHE  74           HB2      PHE  74   7.006  -7.060  -1.891
  518   2HB   PHE  74           HB3      PHE  74   8.552  -6.279  -1.782
  519    HD1  PHE  74           HD2      PHE  74   7.377  -8.870  -4.272
  520    HD2  PHE  74           HD1      PHE  74   8.709  -4.817  -3.594
  521    HE1  PHE  74           HE2      PHE  74   7.523  -8.494  -6.716
  522    HE2  PHE  74           HE1      PHE  74   8.745  -4.419  -6.018
  523    HZ   PHE  74           HZ       PHE  74   8.095  -6.230  -7.602
  524    H    PHE  75           HN       PHE  75   7.669  -8.093   0.564
  525    HA   PHE  75           HA       PHE  75  10.239  -7.292   1.851
  526   1HB   PHE  75           HB2      PHE  75   7.356  -6.563   2.452
  527   2HB   PHE  75           HB3      PHE  75   8.771  -5.996   3.335
  528    HD1  PHE  75           HD2      PHE  75  10.706  -4.927   1.861
  529    HD2  PHE  75           HD1      PHE  75   6.564  -5.132   0.664
  530    HE1  PHE  75           HE2      PHE  75  11.184  -3.449  -0.056
  531    HE2  PHE  75           HE1      PHE  75   7.032  -3.551  -1.182
  532    HZ   PHE  75           HZ       PHE  75   9.384  -2.825  -1.618
  533    H    LYS  76           HN       LYS  76   9.702  -9.929   1.487
  534    HA   LYS  76           HA       LYS  76   8.812 -11.165   3.910
  535   1HB   LYS  76           HB2      LYS  76   9.360 -12.008   1.451
  536   2HB   LYS  76           HB3      LYS  76  10.887 -12.481   2.162
  537   1HG   LYS  76           HG2      LYS  76   9.816 -14.423   2.763
  538   2HG   LYS  76           HG3      LYS  76   9.028 -13.464   4.001
  539   1HD   LYS  76           HD2      LYS  76   7.199 -14.396   2.917
  540   2HD   LYS  76           HD3      LYS  76   7.292 -12.820   2.151
  541   1HE   LYS  76           HE2      LYS  76   8.175 -15.543   1.058
  542   2HE   LYS  76           HE3      LYS  76   6.900 -14.496   0.445
  543   1HZ   LYS  76           HNZ3     LYS  76   8.781 -12.886  -0.126
  544   2HZ   LYS  76           HNZ1     LYS  76   9.805 -14.155   0.132
  545   3HZ   LYS  76           HNZ2     LYS  76   8.592 -14.199  -1.011
  546    H    LYS  77           HN       LYS  77  11.102 -12.971   4.355
  547    HA   LYS  77           HA       LYS  77  13.500 -11.959   5.234
  548   1HB   LYS  77           HB2      LYS  77  12.672 -12.397   7.565
  549   2HB   LYS  77           HB3      LYS  77  12.235 -10.842   6.817
  550   1HG   LYS  77           HG2      LYS  77   9.899 -11.961   6.352
  551   2HG   LYS  77           HG3      LYS  77  10.476 -13.272   7.355
  552   1HD   LYS  77           HD2      LYS  77   9.035 -11.597   8.542
  553   2HD   LYS  77           HD3      LYS  77  10.621 -11.809   9.288
  554   1HE   LYS  77           HE2      LYS  77   9.786  -9.421   9.139
  555   2HE   LYS  77           HE3      LYS  77  11.408  -9.676   8.502
  556   1HZ   LYS  77           HNZ2     LYS  77   8.922  -9.433   6.906
  557   2HZ   LYS  77           HNZ3     LYS  77   9.932  -8.265   7.160
  558   3HZ   LYS  77           HNZ1     LYS  77  10.465  -9.541   6.244
   
  No H/Q in entry =         557
  Start of MODEL   18
    1   1H    ALA   1           HN1      ALA   1  -1.707  -6.198   7.937
    2   2H    ALA   1           HN2      ALA   1  -1.998  -5.035   9.129
    3   2H    ALA   1           HN3      ALA   1  -1.998  -5.035   9.129
    4    HA   ALA   1           HA       ALA   1  -0.034  -4.926   7.002
    5   1HB   ALA   1           HB2      ALA   1   0.708  -4.076   9.263
    6   2HB   ALA   1           HB3      ALA   1   0.984  -3.191   7.747
    7   3HB   ALA   1           HB1      ALA   1  -0.314  -2.667   8.849
    8    H    TYR   2           HN       TYR   2  -0.359  -2.147   6.528
    9    HA   TYR   2           HA       TYR   2  -3.075  -1.949   5.332
   10   1HB   TYR   2           HB2      TYR   2  -1.426  -0.040   6.845
   11   2HB   TYR   2           HB3      TYR   2  -1.990   0.581   5.301
   12    HD1  TYR   2           HD1      TYR   2  -3.254  -1.223   8.361
   13    HD2  TYR   2           HD2      TYR   2  -4.186   1.412   5.076
   14    HE1  TYR   2           HE1      TYR   2  -5.381  -0.592   9.466
   15    HE2  TYR   2           HE2      TYR   2  -6.354   1.958   6.135
   16    HH   TYR   2           HOH      TYR   2  -7.341   2.107   8.259
   17    H    VAL   3           HN       VAL   3  -2.954  -2.063   3.085
   18    HA   VAL   3           HA       VAL   3  -0.225  -2.122   1.830
   19    HB   VAL   3           HB       VAL   3  -2.332  -4.240   1.519
   20   1HG1  VAL   3           HG11     VAL   3   0.692  -4.073   1.086
   21   2HG1  VAL   3           HG12     VAL   3  -0.189  -5.600   1.084
   22   3HG1  VAL   3           HG13     VAL   3  -0.566  -4.384  -0.135
   23   1HG2  VAL   3           HG21     VAL   3  -0.249  -4.035   3.689
   24   2HG2  VAL   3           HG22     VAL   3  -1.996  -4.361   3.856
   25   3HG2  VAL   3           HG23     VAL   3  -0.925  -5.597   3.189
   26    H    ILE   4           HN       ILE   4  -0.191  -2.295  -0.383
   27    HA   ILE   4           HA       ILE   4  -1.871  -0.411  -1.661
   28    HB   ILE   4           HB       ILE   4   0.643  -1.672  -2.090
   29   1HG1  ILE   4           HG12     ILE   4   0.610  -0.571  -4.384
   30   2HG1  ILE   4           HG13     ILE   4  -1.081  -0.145  -4.117
   31   1HG2  ILE   4           HG23     ILE   4  -0.401  -3.661  -2.762
   32   2HG2  ILE   4           HG21     ILE   4  -1.016  -2.877  -4.253
   33   3HG2  ILE   4           HG22     ILE   4   0.735  -2.953  -3.953
   34   1HD1  ILE   4           HD1      ILE   4   1.250   0.654  -2.290
   35   2HD1  ILE   4           HD2      ILE   4   0.545   1.695  -3.529
   36   3HD1  ILE   4           HD3      ILE   4  -0.430   1.215  -2.135
   37    H    THR   5           HN       THR   5  -3.309  -0.770  -3.552
   38    HA   THR   5           HA       THR   5  -3.921  -3.543  -4.175
   39    HB   THR   5           HB       THR   5  -6.351  -3.103  -4.357
   40    HG1  THR   5           HOG      THR   5  -5.797  -0.787  -2.822
   41   1HG2  THR   5           HG3      THR   5  -5.454  -4.303  -2.382
   42   2HG2  THR   5           HG1      THR   5  -5.446  -2.765  -1.492
   43   3HG2  THR   5           HG2      THR   5  -6.982  -3.453  -2.083
   44    H    GLU   6           HN       GLU   6  -5.159  -3.637  -6.150
   45    HA   GLU   6           HA       GLU   6  -4.402  -2.845  -8.442
   46   1HB   GLU   6           HB2      GLU   6  -6.289  -4.228  -7.995
   47   2HB   GLU   6           HB3      GLU   6  -7.216  -2.830  -7.556
   48   1HG   GLU   6           HG2      GLU   6  -7.923  -3.378  -9.706
   49   2HG   GLU   6           HG3      GLU   6  -6.865  -1.991  -9.976
   50    HA   PRO   7           HA       PRO   7  -6.637   1.305  -8.984
   51   1HB   PRO   7           HB2      PRO   7  -7.166   2.847  -6.655
   52   2HB   PRO   7           HB3      PRO   7  -8.324   1.978  -7.696
   53   1HG   PRO   7           HG2      PRO   7  -7.011   1.031  -5.149
   54   2HG   PRO   7           HG3      PRO   7  -8.702   0.795  -5.679
   55   1HD   PRO   7           HD2      PRO   7  -6.925  -1.194  -5.905
   56   2HD   PRO   7           HD3      PRO   7  -8.052  -0.848  -7.249
   57    H    CYS   8           HN       CYS   8  -3.998   0.958  -6.596
   58    HA   CYS   8           HA       CYS   8  -2.979   3.653  -6.976
   59   1HB   CYS   8           HB2      CYS   8  -2.277   2.326  -5.081
   60   2HB   CYS   8           HB3      CYS   8  -1.761   1.042  -6.162
   61    H    ILE   9           HN       ILE   9  -2.884   0.678  -8.880
   62    HA   ILE   9           HA       ILE   9  -0.412   0.777  -9.989
   63    HB   ILE   9           HB       ILE   9  -2.937  -0.358 -11.081
   64   1HG1  ILE   9           HG12     ILE   9  -0.458  -1.543  -9.774
   65   2HG1  ILE   9           HG13     ILE   9  -1.934  -1.160  -8.886
   66   1HG2  ILE   9           HG22     ILE   9  -1.323   0.014 -12.990
   67   2HG2  ILE   9           HG23     ILE   9  -0.069  -0.836 -12.060
   68   3HG2  ILE   9           HG21     ILE   9  -1.519  -1.692 -12.616
   69   1HD1  ILE   9           HD1      ILE   9  -3.161  -2.730 -10.429
   70   2HD1  ILE   9           HD2      ILE   9  -1.561  -3.282 -10.993
   71   3HD1  ILE   9           HD3      ILE   9  -2.000  -3.442  -9.279
   72    H    GLY  10           HN       GLY  10   0.679   1.804 -11.479
   73   1HA   GLY  10           HA2      GLY  10   1.056   3.240 -13.278
   74   2HA   GLY  10           HA3      GLY  10  -0.568   3.919 -13.130
   75    H    THR  11           HN       THR  11   0.307   3.765  -9.971
   76    HA   THR  11           HA       THR  11   0.907   5.289  -8.432
   77    HB   THR  11           HB       THR  11   2.979   6.351 -10.396
   78    HG1  THR  11           HOG      THR  11   3.128   4.067 -10.154
   79   1HG2  THR  11           HG3      THR  11   2.420   7.409  -7.968
   80   2HG2  THR  11           HG1      THR  11   3.436   6.065  -7.435
   81   3HG2  THR  11           HG2      THR  11   4.075   7.261  -8.580
   82    H    LYS  12           HN       LYS  12  -1.282   5.771  -9.778
   83    HA   LYS  12           HA       LYS  12  -1.036   8.087 -11.542
   84   1HB   LYS  12           HB2      LYS  12  -3.439   7.495 -12.126
   85   2HB   LYS  12           HB3      LYS  12  -2.169   6.339 -12.482
   86   1HG   LYS  12           HG2      LYS  12  -4.100   5.160 -11.663
   87   2HG   LYS  12           HG3      LYS  12  -2.777   4.940 -10.572
   88   1HD   LYS  12           HD2      LYS  12  -4.668   5.276  -9.247
   89   2HD   LYS  12           HD3      LYS  12  -3.783   6.735  -9.032
   90   1HE   LYS  12           HE2      LYS  12  -5.768   6.764 -11.296
   91   2HE   LYS  12           HE3      LYS  12  -6.487   6.386  -9.725
   92   1HZ   LYS  12           HNZ1     LYS  12  -4.858   8.785 -10.257
   93   2HZ   LYS  12           HNZ2     LYS  12  -6.499   8.759 -10.159
   94   3HZ   LYS  12           HNZ3     LYS  12  -5.572   8.460  -8.855
   95    H    ASP  13           HN       ASP  13  -0.984   8.502  -8.513
   96    HA   ASP  13           HA       ASP  13  -2.968  10.744  -8.499
   97   1HB   ASP  13           HB2      ASP  13  -2.428   8.714  -6.283
   98   2HB   ASP  13           HB3      ASP  13  -3.087  10.330  -6.003
   99    H    ALA  14           HN       ALA  14  -0.665   9.792  -5.983
  100    HA   ALA  14           HA       ALA  14   1.050  12.124  -6.632
  101   1HB   ALA  14           HB1      ALA  14  -0.674  11.899  -4.124
  102   2HB   ALA  14           HB2      ALA  14   0.610  13.108  -4.393
  103   3HB   ALA  14           HB3      ALA  14  -0.835  13.091  -5.422
  104    H    SER  15           HN       SER  15   1.021  11.060  -3.324
  105    HA   SER  15           HA       SER  15   3.005   9.012  -3.602
  106   1HB   SER  15           HB2      SER  15   4.791  10.532  -2.511
  107   2HB   SER  15           HB3      SER  15   4.499  10.732  -4.242
  108    HG   SER  15           HOG      SER  15   4.166  12.517  -2.232
  109    H    CYS  16           HN       CYS  16   3.303   8.016  -1.689
  110    HA   CYS  16           HA       CYS  16   1.766   8.896   0.709
  111   1HB   CYS  16           HB2      CYS  16   1.373   6.391   0.871
  112   2HB   CYS  16           HB3      CYS  16   0.442   7.271  -0.337
  113    H    VAL  17           HN       VAL  17   4.821   8.690  -0.252
  114    HA   VAL  17           HA       VAL  17   5.832   6.623   1.607
  115    HB   VAL  17           HB       VAL  17   6.802   6.595  -0.558
  116   1HG1  VAL  17           HG12     VAL  17   6.425   8.898  -1.362
  117   2HG1  VAL  17           HG13     VAL  17   7.654   9.507  -0.235
  118   3HG1  VAL  17           HG11     VAL  17   8.109   8.412  -1.547
  119   1HG2  VAL  17           HG22     VAL  17   8.285   6.256   1.492
  120   2HG2  VAL  17           HG23     VAL  17   9.116   6.634  -0.028
  121   3HG2  VAL  17           HG21     VAL  17   8.906   7.895   1.203
  122    H    GLU  18           HN       GLU  18   5.958  10.104   1.104
  123    HA   GLU  18           HA       GLU  18   7.914  10.698   3.036
  124   1HB   GLU  18           HB2      GLU  18   7.064  13.028   2.745
  125   2HB   GLU  18           HB3      GLU  18   7.529  12.220   1.241
  126   1HG   GLU  18           HG2      GLU  18   4.662  12.320   2.169
  127   2HG   GLU  18           HG3      GLU  18   5.401  13.696   1.373
  128    H    VAL  19           HN       VAL  19   4.622   9.870   3.562
  129    HA   VAL  19           HA       VAL  19   4.406  11.433   6.052
  130    HB   VAL  19           HB       VAL  19   2.120  10.885   6.039
  131   1HG1  VAL  19           HG13     VAL  19   2.992  12.529   4.292
  132   2HG1  VAL  19           HG11     VAL  19   2.818  11.223   3.094
  133   3HG1  VAL  19           HG12     VAL  19   1.400  11.828   3.971
  134   1HG2  VAL  19           HG23     VAL  19   2.759   8.792   3.932
  135   2HG2  VAL  19           HG21     VAL  19   2.059   8.521   5.540
  136   3HG2  VAL  19           HG22     VAL  19   1.123   9.360   4.295
  137    H    CYS  20           HN       CYS  20   5.296   8.143   5.146
  138    HA   CYS  20           HA       CYS  20   3.812   6.913   7.194
  139   1HB   CYS  20           HB2      CYS  20   4.339   5.759   5.231
  140   2HB   CYS  20           HB3      CYS  20   6.070   5.934   5.536
  141    HA   PRO  21           HA       PRO  21   6.354   7.852  10.805
  142   1HB   PRO  21           HB2      PRO  21   4.965   5.279  11.627
  143   2HB   PRO  21           HB3      PRO  21   5.320   6.709  12.641
  144   1HG   PRO  21           HG2      PRO  21   2.854   6.437  11.573
  145   2HG   PRO  21           HG3      PRO  21   3.684   8.020  11.425
  146   1HD   PRO  21           HD2      PRO  21   3.468   5.822   9.370
  147   2HD   PRO  21           HD3      PRO  21   3.241   7.589   9.175
  148    H    VAL  22           HN       VAL  22   6.419   4.739   9.113
  149    HA   VAL  22           HA       VAL  22   9.117   4.173  10.248
  150    HB   VAL  22           HB       VAL  22   7.286   2.885  11.345
  151   1HG1  VAL  22           HG13     VAL  22   5.738   2.592   9.497
  152   2HG1  VAL  22           HG11     VAL  22   6.901   1.580   8.622
  153   3HG1  VAL  22           HG12     VAL  22   6.212   1.022  10.159
  154   1HG2  VAL  22           HG22     VAL  22   9.582   2.057  11.332
  155   2HG2  VAL  22           HG23     VAL  22   8.381   0.756  11.351
  156   3HG2  VAL  22           HG21     VAL  22   9.258   1.124   9.859
  157    H    ASP  23           HN       ASP  23   8.107   5.503   7.744
  158    HA   ASP  23           HA       ASP  23   9.032   5.857   5.780
  159   1HB   ASP  23           HB2      ASP  23  11.108   3.796   6.628
  160   2HB   ASP  23           HB3      ASP  23  11.270   4.985   5.338
  161    H    CYS  24           HN       CYS  24   8.396   2.441   6.279
  162    HA   CYS  24           HA       CYS  24   9.547   1.648   3.813
  163   1HB   CYS  24           HB2      CYS  24   8.120   0.165   6.019
  164   2HB   CYS  24           HB3      CYS  24   8.748  -0.656   4.580
  165    HG   CYS  24           HSG      CYS  24  10.381   1.313   6.642
  166    H    ILE  25           HN       ILE  25   7.907   3.258   2.792
  167    HA   ILE  25           HA       ILE  25   6.069   1.583   1.161
  168    HB   ILE  25           HB       ILE  25   6.603   4.581   1.205
  169   1HG1  ILE  25           HG12     ILE  25   4.221   4.855   1.481
  170   2HG1  ILE  25           HG13     ILE  25   3.945   3.136   1.424
  171   1HG2  ILE  25           HG21     ILE  25   5.030   2.928  -0.808
  172   2HG2  ILE  25           HG22     ILE  25   5.024   4.700  -0.718
  173   3HG2  ILE  25           HG23     ILE  25   6.520   3.846  -1.113
  174   1HD1  ILE  25           HD2      ILE  25   5.588   4.531   3.567
  175   2HD1  ILE  25           HD3      ILE  25   3.849   4.164   3.701
  176   3HD1  ILE  25           HD1      ILE  25   5.012   2.843   3.611
  177    H    HIS  26           HN       HIS  26   7.088   0.743  -0.657
  178    HA   HIS  26           HA       HIS  26   9.859   1.608  -1.337
  179   1HB   HIS  26           HB2      HIS  26   8.539  -1.103  -1.096
  180   2HB   HIS  26           HB3      HIS  26  10.145  -0.842  -1.762
  181    HD1  HIS  26           HND      HIS  26  11.756   0.660   0.245
  182    HD2  HIS  26           HD       HIS  26   8.550  -1.808   1.411
  183    HE1  HIS  26           HE       HIS  26  12.113   0.107   2.713
  184    H    GLU  27           HN       GLU  27  10.322   0.582  -3.629
  185    HA   GLU  27           HA       GLU  27   8.003   1.269  -5.341
  186   1HB   GLU  27           HB2      GLU  27  10.877   0.982  -6.256
  187   2HB   GLU  27           HB3      GLU  27   9.543   1.888  -6.987
  188   1HG   GLU  27           HG2      GLU  27   9.595   3.411  -4.939
  189   2HG   GLU  27           HG3      GLU  27  11.080   2.579  -4.437
  190    H    GLY  28           HN       GLY  28   7.306  -0.209  -6.990
  191   1HA   GLY  28           HA2      GLY  28   8.931  -2.729  -7.273
  192   2HA   GLY  28           HA3      GLY  28   7.178  -2.768  -7.265
  193    H    GLU  29           HN       GLU  29   6.860  -3.453  -9.376
  194    HA   GLU  29           HA       GLU  29   8.587  -2.844 -11.484
  195   1HB   GLU  29           HB2      GLU  29   5.685  -3.870 -11.528
  196   2HB   GLU  29           HB3      GLU  29   6.885  -3.979 -12.800
  197   1HG   GLU  29           HG2      GLU  29   7.115  -6.063 -11.871
  198   2HG   GLU  29           HG3      GLU  29   8.330  -5.211 -10.914
  199    H    ASP  30           HN       ASP  30   5.201  -1.935 -11.140
  200    HA   ASP  30           HA       ASP  30   5.516   0.496 -12.847
  201   1HB   ASP  30           HB2      ASP  30   3.846  -0.994 -13.679
  202   2HB   ASP  30           HB3      ASP  30   3.181  -1.321 -12.075
  203    H    GLN  31           HN       GLN  31   3.591  -0.605 -10.097
  204    HA   GLN  31           HA       GLN  31   3.469   2.087  -8.980
  205   1HB   GLN  31           HB2      GLN  31   1.859   1.013  -7.387
  206   2HB   GLN  31           HB3      GLN  31   1.442   0.922  -9.093
  207   1HG   GLN  31           HG2      GLN  31   1.895  -1.392  -9.244
  208   2HG   GLN  31           HG3      GLN  31   2.978  -1.327  -7.868
  209   1HE2  GLN  31           HNE2     GLN  31  -0.816  -1.059  -6.427
  210   2HE2  GLN  31           HNE1     GLN  31  -0.087   0.260  -7.302
  211    H    TYR  32           HN       TYR  32   3.361   2.139  -6.521
  212    HA   TYR  32           HA       TYR  32   5.902   1.104  -5.429
  213   1HB   TYR  32           HB2      TYR  32   3.919   3.256  -4.543
  214   2HB   TYR  32           HB3      TYR  32   5.200   2.645  -3.509
  215    HD1  TYR  32           HD2      TYR  32   5.454   3.532  -7.229
  216    HD2  TYR  32           HD1      TYR  32   6.477   4.574  -3.165
  217    HE1  TYR  32           HE2      TYR  32   7.195   5.025  -8.051
  218    HE2  TYR  32           HE1      TYR  32   8.189   6.136  -4.017
  219    HH   TYR  32           HOH      TYR  32   9.646   5.997  -6.572
  220    H    TYR  33           HN       TYR  33   5.816   0.204  -3.298
  221    HA   TYR  33           HA       TYR  33   3.344  -1.370  -2.649
  222   1HB   TYR  33           HB2      TYR  33   6.215  -2.352  -2.723
  223   2HB   TYR  33           HB3      TYR  33   4.899  -3.250  -2.051
  224    HD1  TYR  33           HD2      TYR  33   5.774  -1.634  -5.369
  225    HD2  TYR  33           HD1      TYR  33   4.027  -4.978  -3.317
  226    HE1  TYR  33           HE2      TYR  33   4.957  -2.530  -7.517
  227    HE2  TYR  33           HE1      TYR  33   3.148  -5.838  -5.445
  228    HH   TYR  33           HOH      TYR  33   4.416  -4.574  -8.473
  229    H    ILE  34           HN       ILE  34   3.845  -2.423  -0.425
  230    HA   ILE  34           HA       ILE  34   5.185  -0.511   1.442
  231    HB   ILE  34           HB       ILE  34   2.356  -1.649   1.698
  232   1HG1  ILE  34           HG12     ILE  34   3.309   1.206   1.598
  233   2HG1  ILE  34           HG13     ILE  34   2.668   0.383   0.177
  234   1HG2  ILE  34           HG21     ILE  34   4.062  -0.015   3.647
  235   2HG2  ILE  34           HG22     ILE  34   2.330  -0.307   3.858
  236   3HG2  ILE  34           HG23     ILE  34   3.440  -1.656   3.906
  237   1HD1  ILE  34           HD1      ILE  34   0.497   0.071   1.308
  238   2HD1  ILE  34           HD2      ILE  34   1.081   1.069   2.665
  239   3HD1  ILE  34           HD3      ILE  34   0.954   1.760   1.043
  240    H    ASP  35           HN       ASP  35   6.252  -1.655   3.146
  241    HA   ASP  35           HA       ASP  35   6.145  -4.565   3.037
  242   1HB   ASP  35           HB2      ASP  35   8.282  -3.567   3.483
  243   2HB   ASP  35           HB3      ASP  35   7.638  -2.778   4.928
  244    HA   PRO  36           HA       PRO  36   2.624  -3.735   5.749
  245   1HB   PRO  36           HB2      PRO  36   1.856  -6.598   5.509
  246   2HB   PRO  36           HB3      PRO  36   0.959  -5.130   5.073
  247   1HG   PRO  36           HG2      PRO  36   2.057  -6.841   3.172
  248   2HG   PRO  36           HG3      PRO  36   2.069  -5.084   2.907
  249   1HD   PRO  36           HD2      PRO  36   4.305  -6.725   4.122
  250   2HD   PRO  36           HD3      PRO  36   4.359  -5.629   2.735
  251    H    ASP  37           HN       ASP  37   5.323  -5.748   6.449
  252    HA   ASP  37           HA       ASP  37   4.192  -6.751   8.990
  253   1HB   ASP  37           HB2      ASP  37   5.912  -7.779   6.974
  254   2HB   ASP  37           HB3      ASP  37   6.828  -7.672   8.463
  255    H    VAL  38           HN       VAL  38   6.603  -4.649   7.475
  256    HA   VAL  38           HA       VAL  38   7.625  -3.606  10.003
  257    HB   VAL  38           HB       VAL  38   7.642  -2.584   7.140
  258   1HG1  VAL  38           HG12     VAL  38   8.713  -1.344   9.692
  259   2HG1  VAL  38           HG13     VAL  38   9.357  -0.937   8.096
  260   3HG1  VAL  38           HG11     VAL  38   7.651  -0.621   8.451
  261   1HG2  VAL  38           HG22     VAL  38   9.097  -4.568   7.644
  262   2HG2  VAL  38           HG23     VAL  38  10.032  -3.121   7.239
  263   3HG2  VAL  38           HG21     VAL  38   9.878  -3.635   8.934
  264    H    CYS  39           HN       CYS  39   5.117  -2.569   7.573
  265    HA   CYS  39           HA       CYS  39   4.243  -0.261   8.951
  266   1HB   CYS  39           HB2      CYS  39   3.518  -0.942   6.664
  267   2HB   CYS  39           HB3      CYS  39   2.781  -2.305   7.380
  268    H    ILE  40           HN       ILE  40   3.007   0.036  10.750
  269    HA   ILE  40           HA       ILE  40   2.634  -2.349  12.454
  270    HB   ILE  40           HB       ILE  40   2.609  -0.755  14.280
  271   1HG1  ILE  40           HG12     ILE  40   3.672   1.596  13.498
  272   2HG1  ILE  40           HG13     ILE  40   2.589   1.357  12.134
  273   1HG2  ILE  40           HG21     ILE  40   4.697  -1.792  13.371
  274   2HG2  ILE  40           HG22     ILE  40   4.968  -0.313  12.423
  275   3HG2  ILE  40           HG23     ILE  40   4.958  -0.248  14.194
  276   1HD1  ILE  40           HD1      ILE  40   1.788   1.277  15.084
  277   2HD1  ILE  40           HD2      ILE  40   1.604   2.672  14.006
  278   3HD1  ILE  40           HD3      ILE  40   0.676   1.196  13.697
  279    H    ASP  41           HN       ASP  41   0.561  -1.925  10.394
  280    HA   ASP  41           HA       ASP  41  -1.667  -1.412  10.104
  281   1HB   ASP  41           HB2      ASP  41  -1.705  -2.882  12.759
  282   2HB   ASP  41           HB3      ASP  41  -3.189  -2.317  11.980
  283    H    CYS  42           HN       CYS  42  -0.484   0.749  10.435
  284    HA   CYS  42           HA       CYS  42  -2.096   2.419  12.294
  285   1HB   CYS  42           HB2      CYS  42  -0.378   3.653  12.576
  286   2HB   CYS  42           HB3      CYS  42   0.610   2.469  11.750
  287    H    GLY  43           HN       GLY  43  -2.252   4.722  10.738
  288   1HA   GLY  43           HA2      GLY  43  -3.595   3.899   8.194
  289   2HA   GLY  43           HA3      GLY  43  -4.389   5.026   9.308
  290    H    ALA  44           HN       ALA  44  -4.218   6.934   8.225
  291    HA   ALA  44           HA       ALA  44  -3.320   8.979   7.964
  292   1HB   ALA  44           HB2      ALA  44  -1.553   8.479   9.651
  293   2HB   ALA  44           HB3      ALA  44  -0.501   7.880   8.351
  294   3HB   ALA  44           HB1      ALA  44  -1.027   9.567   8.353
  295    H    CYS  45           HN       CYS  45  -1.143   6.551   6.477
  296    HA   CYS  45           HA       CYS  45  -0.658   7.930   4.070
  297   1HB   CYS  45           HB2      CYS  45   0.072   5.805   3.209
  298   2HB   CYS  45           HB3      CYS  45   0.720   6.201   4.788
  299    H    GLU  46           HN       GLU  46  -3.045   5.395   4.723
  300    HA   GLU  46           HA       GLU  46  -4.666   5.380   2.510
  301   1HB   GLU  46           HB2      GLU  46  -6.576   5.039   4.279
  302   2HB   GLU  46           HB3      GLU  46  -5.283   3.875   4.068
  303   1HG   GLU  46           HG2      GLU  46  -5.192   3.903   6.295
  304   2HG   GLU  46           HG3      GLU  46  -4.179   5.304   6.153
  305    H    ALA  47           HN       ALA  47  -4.860   7.860   5.085
  306    HA   ALA  47           HA       ALA  47  -7.149   9.146   3.912
  307   1HB   ALA  47           HB3      ALA  47  -6.617   9.380   6.282
  308   2HB   ALA  47           HB1      ALA  47  -5.095  10.213   5.891
  309   3HB   ALA  47           HB2      ALA  47  -6.648  10.968   5.487
  310    H    VAL  48           HN       VAL  48  -3.603   9.664   3.564
  311    HA   VAL  48           HA       VAL  48  -4.112  12.093   1.980
  312    HB   VAL  48           HB       VAL  48  -1.781  12.346   1.710
  313   1HG1  VAL  48           HG13     VAL  48  -2.826  13.137   3.790
  314   2HG1  VAL  48           HG11     VAL  48  -2.491  11.580   4.578
  315   3HG1  VAL  48           HG12     VAL  48  -1.151  12.627   4.077
  316   1HG2  VAL  48           HG22     VAL  48  -1.108   9.927   1.486
  317   2HG2  VAL  48           HG23     VAL  48  -0.107  10.866   2.587
  318   3HG2  VAL  48           HG21     VAL  48  -1.346   9.786   3.245
  319    H    CYS  49           HN       CYS  49  -3.377   8.664   1.267
  320    HA   CYS  49           HA       CYS  49  -2.812   8.901  -1.480
  321   1HB   CYS  49           HB2      CYS  49  -2.702   6.732  -0.228
  322   2HB   CYS  49           HB3      CYS  49  -4.445   6.802  -0.119
  323    HA   PRO  50           HA       PRO  50  -6.535  11.288  -2.093
  324   1HB   PRO  50           HB2      PRO  50  -6.010  10.746  -5.031
  325   2HB   PRO  50           HB3      PRO  50  -6.525  12.275  -4.252
  326   1HG   PRO  50           HG2      PRO  50  -3.916  11.963  -4.812
  327   2HG   PRO  50           HG3      PRO  50  -4.370  12.508  -3.177
  328   1HD   PRO  50           HD2      PRO  50  -3.669   9.654  -3.989
  329   2HD   PRO  50           HD3      PRO  50  -3.055  10.653  -2.649
  330    H    VAL  51           HN       VAL  51  -6.317   8.337  -4.145
  331    HA   VAL  51           HA       VAL  51  -9.265   8.016  -4.038
  332    HB   VAL  51           HB       VAL  51  -7.102   6.477  -5.531
  333   1HG1  VAL  51           HG12     VAL  51 -10.140   6.282  -5.598
  334   2HG1  VAL  51           HG13     VAL  51  -9.102   5.707  -6.918
  335   3HG1  VAL  51           HG11     VAL  51  -8.961   4.973  -5.330
  336   1HG2  VAL  51           HG22     VAL  51  -8.989   8.756  -6.268
  337   2HG2  VAL  51           HG23     VAL  51  -7.231   8.699  -6.427
  338   3HG2  VAL  51           HG21     VAL  51  -8.234   7.721  -7.496
  339    H    SER  52           HN       SER  52  -6.899   7.423  -1.833
  340    HA   SER  52           HA       SER  52  -6.383   5.811  -0.331
  341   1HB   SER  52           HB2      SER  52  -9.385   5.528  -0.215
  342   2HB   SER  52           HB3      SER  52  -8.205   5.165   1.063
  343    HG   SER  52           HOG      SER  52  -7.563   7.417   0.933
  344    H    ALA  53           HN       ALA  53  -5.728   4.778  -2.575
  345    HA   ALA  53           HA       ALA  53  -6.841   2.179  -3.175
  346   1HB   ALA  53           HB1      ALA  53  -5.453   3.486  -4.785
  347   2HB   ALA  53           HB2      ALA  53  -4.065   3.352  -3.685
  348   3HB   ALA  53           HB3      ALA  53  -4.736   1.895  -4.444
  349    H    ILE  54           HN       ILE  54  -4.599   3.486  -0.810
  350    HA   ILE  54           HA       ILE  54  -3.418   0.996   0.012
  351    HB   ILE  54           HB       ILE  54  -3.761   3.680   1.368
  352   1HG1  ILE  54           HG12     ILE  54  -1.396   2.418  -0.079
  353   2HG1  ILE  54           HG13     ILE  54  -2.435   3.727  -0.666
  354   1HG2  ILE  54           HG22     ILE  54  -2.958   1.200   2.598
  355   2HG2  ILE  54           HG23     ILE  54  -1.537   2.225   2.460
  356   3HG2  ILE  54           HG21     ILE  54  -2.983   2.855   3.258
  357   1HD1  ILE  54           HD1      ILE  54  -1.722   5.123   1.306
  358   2HD1  ILE  54           HD2      ILE  54  -0.471   3.904   1.640
  359   3HD1  ILE  54           HD3      ILE  54  -0.469   4.763   0.105
  360    H    TYR  55           HN       TYR  55  -4.681  -0.646   0.718
  361    HA   TYR  55           HA       TYR  55  -6.861  -0.091   2.645
  362   1HB   TYR  55           HB2      TYR  55  -6.777  -1.998   0.358
  363   2HB   TYR  55           HB3      TYR  55  -7.997  -2.100   1.631
  364    HD1  TYR  55           HD2      TYR  55  -8.902   0.654   2.049
  365    HD2  TYR  55           HD1      TYR  55  -7.976  -1.455  -1.595
  366    HE1  TYR  55           HE2      TYR  55 -10.361   2.187   0.780
  367    HE2  TYR  55           HE1      TYR  55  -9.435   0.085  -2.858
  368    HH   TYR  55           HOH      TYR  55 -10.112   3.024  -1.780
  369    H    HIS  56           HN       HIS  56  -7.257  -1.694   4.178
  370    HA   HIS  56           HA       HIS  56  -4.837  -2.923   5.169
  371   1HB   HIS  56           HB2      HIS  56  -6.456  -1.759   6.578
  372   2HB   HIS  56           HB3      HIS  56  -7.727  -2.864   6.056
  373    HD1  HIS  56           HND      HIS  56  -4.532  -4.648   7.149
  374    HD2  HIS  56           HD       HIS  56  -8.090  -3.083   8.670
  375    HE1  HIS  56           HE       HIS  56  -4.998  -5.923   9.312
  376    H    GLU  57           HN       GLU  57  -4.260  -5.085   5.227
  377    HA   GLU  57           HA       GLU  57  -4.829  -6.901   3.361
  378   1HB   GLU  57           HB2      GLU  57  -4.307  -7.432   6.314
  379   2HB   GLU  57           HB3      GLU  57  -4.057  -8.567   4.975
  380   1HG   GLU  57           HG2      GLU  57  -2.449  -7.065   3.986
  381   2HG   GLU  57           HG3      GLU  57  -2.565  -6.005   5.395
  382    H    ASP  58           HN       ASP  58  -6.816  -6.364   6.230
  383    HA   ASP  58           HA       ASP  58  -8.368  -8.782   6.049
  384   1HB   ASP  58           HB2      ASP  58  -8.070  -7.478   8.137
  385   2HB   ASP  58           HB3      ASP  58  -8.926  -6.105   7.426
  386    H    PHE  59           HN       PHE  59  -9.048  -5.340   5.292
  387    HA   PHE  59           HA       PHE  59 -11.618  -5.548   4.200
  388   1HB   PHE  59           HB2      PHE  59  -9.339  -3.559   3.876
  389   2HB   PHE  59           HB3      PHE  59 -11.009  -3.290   3.462
  390    HD1  PHE  59           HD1      PHE  59 -11.381  -4.979   6.492
  391    HD2  PHE  59           HD2      PHE  59  -9.982  -1.207   4.899
  392    HE1  PHE  59           HE1      PHE  59 -11.617  -3.961   8.697
  393    HE2  PHE  59           HE2      PHE  59 -10.253  -0.180   7.137
  394    HZ   PHE  59           HZ       PHE  59 -11.067  -1.550   9.046
  395    H    VAL  60           HN       VAL  60  -8.354  -5.720   2.954
  396    HA   VAL  60           HA       VAL  60  -8.704  -5.149   0.247
  397    HB   VAL  60           HB       VAL  60  -6.728  -6.697   1.858
  398   1HG1  VAL  60           HG11     VAL  60  -6.937  -6.938  -1.173
  399   2HG1  VAL  60           HG12     VAL  60  -5.458  -7.197  -0.252
  400   3HG1  VAL  60           HG13     VAL  60  -6.836  -8.256   0.019
  401   1HG2  VAL  60           HG21     VAL  60  -6.845  -4.197   1.339
  402   2HG2  VAL  60           HG22     VAL  60  -5.329  -4.982   0.894
  403   3HG2  VAL  60           HG23     VAL  60  -6.581  -4.687  -0.356
  404    HA   PRO  61           HA       PRO  61 -11.564  -8.392  -0.897
  405   1HB   PRO  61           HB2      PRO  61 -10.794  -8.150  -3.717
  406   2HB   PRO  61           HB3      PRO  61 -12.324  -7.685  -2.938
  407   1HG   PRO  61           HG2      PRO  61 -10.269  -5.957  -3.893
  408   2HG   PRO  61           HG3      PRO  61 -11.684  -5.490  -2.923
  409   1HD   PRO  61           HD2      PRO  61  -8.874  -5.657  -2.035
  410   2HD   PRO  61           HD3      PRO  61 -10.327  -5.019  -1.207
  411    H    GLU  62           HN       GLU  62 -11.364 -10.689  -1.383
  412    HA   GLU  62           HA       GLU  62  -9.101 -12.055  -1.064
  413   1HB   GLU  62           HB2      GLU  62 -11.805 -12.408  -2.381
  414   2HB   GLU  62           HB3      GLU  62 -10.609 -13.649  -2.510
  415   1HG   GLU  62           HG2      GLU  62 -12.100 -13.972  -0.513
  416   2HG   GLU  62           HG3      GLU  62 -10.398 -13.803  -0.054
  417    H    GLU  63           HN       GLU  63 -10.438 -10.989  -4.172
  418    HA   GLU  63           HA       GLU  63  -8.639 -11.960  -6.023
  419   1HB   GLU  63           HB2      GLU  63 -10.602 -10.544  -6.468
  420   2HB   GLU  63           HB3      GLU  63  -9.700  -9.113  -5.926
  421   1HG   GLU  63           HG2      GLU  63  -8.020  -9.585  -7.741
  422   2HG   GLU  63           HG3      GLU  63  -9.037 -10.927  -8.290
  423    H    TRP  64           HN       TRP  64  -8.174  -9.147  -3.854
  424    HA   TRP  64           HA       TRP  64  -5.383  -8.769  -4.799
  425   1HB   TRP  64           HB2      TRP  64  -7.332  -6.888  -3.447
  426   2HB   TRP  64           HB3      TRP  64  -5.691  -6.465  -3.889
  427    HD1  TRP  64           HD       TRP  64  -6.205  -8.308  -6.750
  428    HE1  TRP  64           HNE      TRP  64  -7.777  -7.448  -8.571
  429    HE3  TRP  64           HE       TRP  64  -8.341  -4.337  -4.264
  430    HZ2  TRP  64           HZ1      TRP  64  -9.524  -5.318  -9.000
  431    HZ3  TRP  64           HZ2      TRP  64  -9.845  -2.811  -5.523
  432    HH2  TRP  64           HH       TRP  64 -10.483  -3.355  -7.884
  433    H    LYS  65           HN       LYS  65  -6.936 -10.242  -2.241
  434    HA   LYS  65           HA       LYS  65  -4.934  -9.996  -0.214
  435   1HB   LYS  65           HB2      LYS  65  -6.571 -12.401  -1.024
  436   2HB   LYS  65           HB3      LYS  65  -5.384 -12.356   0.287
  437   1HG   LYS  65           HG2      LYS  65  -6.497 -10.271   1.150
  438   2HG   LYS  65           HG3      LYS  65  -7.815 -10.518   0.014
  439   1HD   LYS  65           HD2      LYS  65  -8.542 -12.514   1.194
  440   2HD   LYS  65           HD3      LYS  65  -6.966 -12.676   1.979
  441   1HE   LYS  65           HE2      LYS  65  -8.350 -11.793   3.678
  442   2HE   LYS  65           HE3      LYS  65  -7.298 -10.493   3.085
  443   1HZ   LYS  65           HNZ1     LYS  65  -9.224  -9.675   1.811
  444   2HZ   LYS  65           HNZ2     LYS  65 -10.148 -10.910   2.345
  445   3HZ   LYS  65           HNZ3     LYS  65  -9.617  -9.714   3.382
  446    H    SER  66           HN       SER  66  -4.929 -11.605  -3.423
  447    HA   SER  66           HA       SER  66  -2.418 -12.757  -3.495
  448   1HB   SER  66           HB2      SER  66  -3.614 -11.099  -5.754
  449   2HB   SER  66           HB3      SER  66  -2.580 -12.534  -5.860
  450    HG   SER  66           HOG      SER  66  -5.286 -12.326  -5.504
  451    H    TYR  67           HN       TYR  67  -3.179  -9.249  -4.145
  452    HA   TYR  67           HA       TYR  67  -0.402  -8.535  -4.669
  453   1HB   TYR  67           HB2      TYR  67  -2.874  -6.938  -3.809
  454   2HB   TYR  67           HB3      TYR  67  -1.296  -6.213  -3.931
  455    HD1  TYR  67           HD2      TYR  67  -0.136  -7.042  -6.446
  456    HD2  TYR  67           HD1      TYR  67  -4.258  -6.205  -5.528
  457    HE1  TYR  67           HE2      TYR  67  -0.598  -6.609  -8.846
  458    HE2  TYR  67           HE1      TYR  67  -4.719  -5.832  -7.924
  459    HH   TYR  67           HOH      TYR  67  -3.790  -5.514 -10.013
  460    H    ILE  68           HN       ILE  68  -2.546  -8.474  -1.736
  461    HA   ILE  68           HA       ILE  68  -0.608  -7.253  -0.198
  462    HB   ILE  68           HB       ILE  68  -3.002  -9.034   0.220
  463   1HG1  ILE  68           HG12     ILE  68  -3.932  -7.166   1.202
  464   2HG1  ILE  68           HG13     ILE  68  -2.376  -6.437   1.552
  465   1HG2  ILE  68           HG23     ILE  68  -1.151  -8.359   2.516
  466   2HG2  ILE  68           HG21     ILE  68  -2.840  -8.911   2.674
  467   3HG2  ILE  68           HG22     ILE  68  -1.637  -9.977   1.961
  468   1HD1  ILE  68           HD1      ILE  68  -3.619  -6.613  -1.234
  469   2HD1  ILE  68           HD2      ILE  68  -3.545  -5.185  -0.216
  470   3HD1  ILE  68           HD3      ILE  68  -2.078  -5.858  -0.869
  471    H    GLN  69           HN       GLN  69  -1.131 -10.740  -0.800
  472    HA   GLN  69           HA       GLN  69   1.089 -11.572   0.716
  473   1HB   GLN  69           HB2      GLN  69  -0.739 -13.010  -0.464
  474   2HB   GLN  69           HB3      GLN  69   0.327 -12.959  -1.862
  475   1HG   GLN  69           HG2      GLN  69   0.870 -14.965  -0.558
  476   2HG   GLN  69           HG3      GLN  69   2.215 -13.812  -0.471
  477   1HE2  GLN  69           HNE2     GLN  69  -0.022 -14.025   2.984
  478   2HE2  GLN  69           HNE1     GLN  69  -0.849 -13.923   1.444
  479    H    LYS  70           HN       LYS  70   0.866 -10.395  -2.641
  480    HA   LYS  70           HA       LYS  70   3.581 -10.743  -3.299
  481   1HB   LYS  70           HB2      LYS  70   1.597  -9.970  -4.815
  482   2HB   LYS  70           HB3      LYS  70   1.961  -8.347  -4.240
  483   1HG   LYS  70           HG2      LYS  70   4.235  -8.447  -5.088
  484   2HG   LYS  70           HG3      LYS  70   3.980 -10.120  -5.633
  485   1HD   LYS  70           HD2      LYS  70   2.138  -9.385  -7.113
  486   2HD   LYS  70           HD3      LYS  70   2.359  -7.705  -6.619
  487   1HE   LYS  70           HE2      LYS  70   4.530  -9.398  -7.957
  488   2HE   LYS  70           HE3      LYS  70   3.413  -8.350  -8.840
  489   1HZ   LYS  70           HNZ2     LYS  70   5.268  -7.345  -6.774
  490   2HZ   LYS  70           HNZ3     LYS  70   5.511  -7.295  -8.392
  491   3HZ   LYS  70           HNZ1     LYS  70   4.283  -6.461  -7.751
  492    H    ASN  71           HN       ASN  71   2.159  -7.657  -1.967
  493    HA   ASN  71           HA       ASN  71   4.580  -6.328  -1.477
  494   1HB   ASN  71           HB2      ASN  71   1.905  -6.489   0.001
  495   2HB   ASN  71           HB3      ASN  71   3.178  -5.419   0.546
  496   1HD2  ASN  71           HND2     ASN  71   1.357  -4.550  -3.056
  497   2HD2  ASN  71           HND1     ASN  71   1.246  -6.182  -2.437
  498    H    ARG  72           HN       ARG  72   3.030  -8.900   0.539
  499    HA   ARG  72           HA       ARG  72   5.042  -8.774   2.540
  500   1HB   ARG  72           HB2      ARG  72   2.970 -10.721   1.576
  501   2HB   ARG  72           HB3      ARG  72   4.292 -11.372   2.509
  502   1HG   ARG  72           HG2      ARG  72   3.796  -9.750   4.312
  503   2HG   ARG  72           HG3      ARG  72   2.610  -8.954   3.269
  504   1HD   ARG  72           HD2      ARG  72   1.213 -10.982   3.214
  505   2HD   ARG  72           HD3      ARG  72   2.293 -11.789   4.344
  506    HE   ARG  72           HNE      ARG  72   0.274  -9.730   4.924
  507   1HH1  ARG  72           HN22     ARG  72   3.357 -11.011   6.091
  508   2HH1  ARG  72           HN21     ARG  72   3.302 -10.086   7.569
  509   1HH2  ARG  72           HN12     ARG  72   0.196  -8.529   6.923
  510   2HH2  ARG  72           HN11     ARG  72   1.609  -8.629   7.973
  511    H    ASP  73           HN       ASP  73   4.802 -10.841  -0.454
  512    HA   ASP  73           HA       ASP  73   7.110 -12.352   0.036
  513   1HB   ASP  73           HB2      ASP  73   5.018 -12.213  -1.848
  514   2HB   ASP  73           HB3      ASP  73   6.494 -12.189  -2.734
  515    H    PHE  74           HN       PHE  74   6.624  -9.267  -1.505
  516    HA   PHE  74           HA       PHE  74   9.123  -8.854  -2.748
  517   1HB   PHE  74           HB2      PHE  74   6.994  -7.181  -1.464
  518   2HB   PHE  74           HB3      PHE  74   8.554  -6.447  -1.597
  519    HD1  PHE  74           HD2      PHE  74   7.306  -8.857  -4.182
  520    HD2  PHE  74           HD1      PHE  74   7.851  -4.717  -3.097
  521    HE1  PHE  74           HE2      PHE  74   7.475  -8.234  -6.571
  522    HE2  PHE  74           HE1      PHE  74   7.812  -4.088  -5.466
  523    HZ   PHE  74           HZ       PHE  74   7.647  -5.837  -7.230
  524    H    PHE  75           HN       PHE  75   8.344  -8.546   0.771
  525    HA   PHE  75           HA       PHE  75  11.257  -8.256   1.270
  526   1HB   PHE  75           HB2      PHE  75   8.959  -7.235   2.963
  527   2HB   PHE  75           HB3      PHE  75  10.633  -6.757   3.043
  528    HD1  PHE  75           HD2      PHE  75  11.619  -5.660   0.790
  529    HD2  PHE  75           HD1      PHE  75   7.439  -5.915   1.774
  530    HE1  PHE  75           HE2      PHE  75  11.109  -3.931  -0.919
  531    HE2  PHE  75           HE1      PHE  75   6.921  -4.186   0.082
  532    HZ   PHE  75           HZ       PHE  75   8.756  -3.263  -1.342
  533    H    LYS  76           HN       LYS  76   8.797 -10.313   1.812
  534    HA   LYS  76           HA       LYS  76   9.281 -11.221   4.504
  535   1HB   LYS  76           HB2      LYS  76   7.163 -11.526   3.334
  536   2HB   LYS  76           HB3      LYS  76   7.992 -12.490   2.089
  537   1HG   LYS  76           HG2      LYS  76   8.361 -14.299   3.699
  538   2HG   LYS  76           HG3      LYS  76   7.701 -13.307   5.008
  539   1HD   LYS  76           HD2      LYS  76   6.077 -14.998   4.107
  540   2HD   LYS  76           HD3      LYS  76   5.484 -13.329   4.008
  541   1HE   LYS  76           HE2      LYS  76   5.951 -13.182   1.655
  542   2HE   LYS  76           HE3      LYS  76   6.871 -14.703   1.651
  543   1HZ   LYS  76           HNZ1     LYS  76   3.944 -14.388   1.979
  544   2HZ   LYS  76           HNZ2     LYS  76   4.786 -14.867   0.658
  545   3HZ   LYS  76           HNZ3     LYS  76   4.769 -15.827   1.995
  546    H    LYS  77           HN       LYS  77  10.498 -12.189   1.339
  547    HA   LYS  77           HA       LYS  77  12.543 -13.976   2.451
  548   1HB   LYS  77           HB2      LYS  77  12.510 -14.913   0.119
  549   2HB   LYS  77           HB3      LYS  77  11.128 -15.310   1.143
  550   1HG   LYS  77           HG2      LYS  77   9.932 -14.934  -0.658
  551   2HG   LYS  77           HG3      LYS  77   9.992 -13.262  -0.229
  552   1HD   LYS  77           HD2      LYS  77  11.756 -14.751  -2.233
  553   2HD   LYS  77           HD3      LYS  77  10.369 -13.737  -2.615
  554   1HE   LYS  77           HE2      LYS  77  13.109 -12.846  -1.632
  555   2HE   LYS  77           HE3      LYS  77  12.334 -12.510  -3.180
  556   1HZ   LYS  77           HNZ1     LYS  77  10.626 -11.232  -1.829
  557   2HZ   LYS  77           HNZ2     LYS  77  11.615 -11.437  -0.554
  558   3HZ   LYS  77           HNZ3     LYS  77  12.151 -10.573  -1.774
   
  No H/Q in entry =         557
  Start of MODEL   19
    1   1H    ALA   1           HN1      ALA   1  -2.291  -5.121   8.402
    2   2H    ALA   1           HN2      ALA   1  -2.724  -3.813   9.399
    3   2H    ALA   1           HN3      ALA   1  -2.724  -3.813   9.399
    4    HA   ALA   1           HA       ALA   1  -0.881  -2.550   8.779
    5   1HB   ALA   1           HB3      ALA   1   0.021  -4.992   7.304
    6   2HB   ALA   1           HB1      ALA   1   0.742  -3.366   7.169
    7   3HB   ALA   1           HB2      ALA   1   0.755  -4.226   8.730
    8    H    TYR   2           HN       TYR   2  -0.767  -1.303   6.823
    9    HA   TYR   2           HA       TYR   2  -3.196  -1.669   5.138
   10   1HB   TYR   2           HB2      TYR   2  -1.890   0.665   6.387
   11   2HB   TYR   2           HB3      TYR   2  -2.396   0.886   4.721
   12    HD1  TYR   2           HD2      TYR   2  -3.598   0.165   8.166
   13    HD2  TYR   2           HD1      TYR   2  -4.740   0.746   4.055
   14    HE1  TYR   2           HE2      TYR   2  -5.940   0.606   8.869
   15    HE2  TYR   2           HE1      TYR   2  -7.050   1.258   4.760
   16    HH   TYR   2           HOH      TYR   2  -8.224   2.046   6.651
   17    H    VAL   3           HN       VAL   3  -3.031  -2.066   3.090
   18    HA   VAL   3           HA       VAL   3  -0.310  -2.127   1.806
   19    HB   VAL   3           HB       VAL   3  -2.383  -4.320   1.669
   20   1HG1  VAL   3           HG11     VAL   3   0.634  -4.169   1.151
   21   2HG1  VAL   3           HG12     VAL   3  -0.302  -5.668   1.145
   22   3HG1  VAL   3           HG13     VAL   3  -0.635  -4.435  -0.069
   23   1HG2  VAL   3           HG22     VAL   3  -0.131  -3.974   3.658
   24   2HG2  VAL   3           HG23     VAL   3  -1.861  -4.199   4.003
   25   3HG2  VAL   3           HG21     VAL   3  -0.921  -5.540   3.341
   26    H    ILE   4           HN       ILE   4  -0.308  -2.378  -0.411
   27    HA   ILE   4           HA       ILE   4  -2.037  -0.527  -1.665
   28    HB   ILE   4           HB       ILE   4   0.504  -1.710  -2.139
   29   1HG1  ILE   4           HG12     ILE   4   0.401  -0.687  -4.468
   30   2HG1  ILE   4           HG13     ILE   4  -1.313  -0.343  -4.212
   31   1HG2  ILE   4           HG21     ILE   4  -0.516  -3.752  -2.746
   32   2HG2  ILE   4           HG22     ILE   4  -1.134  -3.015  -4.257
   33   3HG2  ILE   4           HG23     ILE   4   0.616  -3.048  -3.943
   34   1HD1  ILE   4           HD1      ILE   4   1.019   0.730  -2.544
   35   2HD1  ILE   4           HD2      ILE   4   0.105   1.634  -3.763
   36   3HD1  ILE   4           HD3      ILE   4  -0.691   1.128  -2.270
   37    H    THR   5           HN       THR   5  -3.425  -0.918  -3.595
   38    HA   THR   5           HA       THR   5  -3.974  -3.697  -4.196
   39    HB   THR   5           HB       THR   5  -6.384  -3.340  -4.465
   40    HG1  THR   5           HOG      THR   5  -6.013  -0.959  -2.976
   41   1HG2  THR   5           HG3      THR   5  -5.530  -4.437  -2.415
   42   2HG2  THR   5           HG1      THR   5  -5.613  -2.868  -1.579
   43   3HG2  THR   5           HG2      THR   5  -7.096  -3.632  -2.201
   44    H    GLU   6           HN       GLU   6  -5.121  -3.834  -6.219
   45    HA   GLU   6           HA       GLU   6  -4.295  -3.064  -8.490
   46   1HB   GLU   6           HB2      GLU   6  -6.159  -4.478  -8.092
   47   2HB   GLU   6           HB3      GLU   6  -7.127  -3.102  -7.677
   48   1HG   GLU   6           HG2      GLU   6  -7.798  -3.634  -9.830
   49   2HG   GLU   6           HG3      GLU   6  -6.716  -2.270 -10.112
   50    HA   PRO   7           HA       PRO   7  -6.660   0.986  -9.254
   51   1HB   PRO   7           HB2      PRO   7  -7.266   2.607  -6.989
   52   2HB   PRO   7           HB3      PRO   7  -8.379   1.664  -8.012
   53   1HG   PRO   7           HG2      PRO   7  -7.074   0.856  -5.412
   54   2HG   PRO   7           HG3      PRO   7  -8.746   0.540  -5.956
   55   1HD   PRO   7           HD2      PRO   7  -6.912  -1.396  -6.081
   56   2HD   PRO   7           HD3      PRO   7  -8.007  -1.122  -7.469
   57    H    CYS   8           HN       CYS   8  -4.091   0.946  -6.769
   58    HA   CYS   8           HA       CYS   8  -3.189   3.645  -7.382
   59   1HB   CYS   8           HB2      CYS   8  -2.547   2.646  -5.306
   60   2HB   CYS   8           HB3      CYS   8  -1.859   1.271  -6.145
   61    H    ILE   9           HN       ILE   9  -2.835   0.489  -8.992
   62    HA   ILE   9           HA       ILE   9  -0.400   0.665 -10.218
   63    HB   ILE   9           HB       ILE   9  -2.936  -0.552 -11.203
   64   1HG1  ILE   9           HG12     ILE   9  -0.399  -1.690  -9.974
   65   2HG1  ILE   9           HG13     ILE   9  -1.858  -1.337  -9.043
   66   1HG2  ILE   9           HG23     ILE   9  -0.071  -0.842 -12.268
   67   2HG2  ILE   9           HG21     ILE   9  -1.440  -1.861 -12.755
   68   3HG2  ILE   9           HG22     ILE   9  -1.440  -0.157 -13.169
   69   1HD1  ILE   9           HD2      ILE   9  -3.101  -2.910 -10.561
   70   2HD1  ILE   9           HD3      ILE   9  -1.509  -3.438 -11.172
   71   3HD1  ILE   9           HD1      ILE   9  -1.898  -3.608  -9.449
   72    H    GLY  10           HN       GLY  10   0.539   1.941 -11.656
   73   1HA   GLY  10           HA2      GLY  10   0.839   3.378 -13.422
   74   2HA   GLY  10           HA3      GLY  10  -0.885   3.301 -13.800
   75    H    THR  11           HN       THR  11  -1.625   4.164 -10.980
   76    HA   THR  11           HA       THR  11  -1.636   7.009 -11.498
   77    HB   THR  11           HB       THR  11  -2.649   5.608  -8.999
   78    HG1  THR  11           HOG      THR  11  -3.731   4.461 -10.454
   79   1HG2  THR  11           HG2      THR  11  -2.606   8.208  -9.382
   80   2HG2  THR  11           HG3      THR  11  -3.906   7.890 -10.554
   81   3HG2  THR  11           HG1      THR  11  -4.106   7.443  -8.846
   82    H    LYS  12           HN       LYS  12   0.799   6.973 -11.467
   83    HA   LYS  12           HA       LYS  12   2.210   6.692  -8.964
   84   1HB   LYS  12           HB2      LYS  12   2.982   8.040 -11.578
   85   2HB   LYS  12           HB3      LYS  12   4.089   7.687 -10.256
   86   1HG   LYS  12           HG2      LYS  12   2.574   5.263 -10.961
   87   2HG   LYS  12           HG3      LYS  12   3.265   5.979 -12.410
   88   1HD   LYS  12           HD2      LYS  12   4.781   4.366 -11.461
   89   2HD   LYS  12           HD3      LYS  12   5.519   5.974 -11.338
   90   1HE   LYS  12           HE2      LYS  12   5.006   6.103  -8.937
   91   2HE   LYS  12           HE3      LYS  12   3.940   4.692  -9.053
   92   1HZ   LYS  12           HNZ3     LYS  12   5.950   3.395  -9.633
   93   2HZ   LYS  12           HNZ1     LYS  12   6.899   4.680  -9.158
   94   3HZ   LYS  12           HNZ2     LYS  12   5.957   3.979  -8.116
   95    H    ASP  13           HN       ASP  13   0.765   8.017  -7.631
   96    HA   ASP  13           HA       ASP  13   1.248  10.942  -7.779
   97   1HB   ASP  13           HB2      ASP  13  -0.960   9.829  -7.094
   98   2HB   ASP  13           HB3      ASP  13  -0.163   9.404  -5.576
   99    H    ALA  14           HN       ALA  14   1.543  11.323  -4.982
  100    HA   ALA  14           HA       ALA  14   3.990   9.935  -4.089
  101   1HB   ALA  14           HB2      ALA  14   4.807  11.866  -5.411
  102   2HB   ALA  14           HB3      ALA  14   3.777  12.955  -4.451
  103   3HB   ALA  14           HB1      ALA  14   5.129  12.099  -3.679
  104    H    SER  15           HN       SER  15   0.885  11.254  -3.409
  105    HA   SER  15           HA       SER  15   1.261  12.565  -1.015
  106   1HB   SER  15           HB2      SER  15  -1.065  10.805  -1.863
  107   2HB   SER  15           HB3      SER  15  -1.106  12.016  -0.566
  108    HG   SER  15           HOG      SER  15  -0.631  12.480  -3.344
  109    H    CYS  16           HN       CYS  16   0.899   9.009  -1.443
  110    HA   CYS  16           HA       CYS  16   0.777   8.544   1.394
  111   1HB   CYS  16           HB2      CYS  16   0.836   6.265   0.922
  112   2HB   CYS  16           HB3      CYS  16  -0.292   7.062  -0.160
  113    H    VAL  17           HN       VAL  17   3.404   8.059  -0.991
  114    HA   VAL  17           HA       VAL  17   5.133   6.747   0.576
  115    HB   VAL  17           HB       VAL  17   5.497   7.058  -1.779
  116   1HG1  VAL  17           HG12     VAL  17   6.600   9.824  -1.103
  117   2HG1  VAL  17           HG13     VAL  17   6.767   8.987  -2.656
  118   3HG1  VAL  17           HG11     VAL  17   5.166   9.431  -2.077
  119   1HG2  VAL  17           HG23     VAL  17   7.324   6.211  -0.312
  120   2HG2  VAL  17           HG21     VAL  17   7.920   7.039  -1.759
  121   3HG2  VAL  17           HG22     VAL  17   7.968   7.860  -0.188
  122    H    GLU  18           HN       GLU  18   5.004  10.328   0.606
  123    HA   GLU  18           HA       GLU  18   7.331  10.651   2.182
  124   1HB   GLU  18           HB2      GLU  18   4.894  12.475   1.950
  125   2HB   GLU  18           HB3      GLU  18   6.475  12.918   2.613
  126   1HG   GLU  18           HG2      GLU  18   7.528  12.335   0.431
  127   2HG   GLU  18           HG3      GLU  18   5.906  12.125  -0.269
  128    H    VAL  19           HN       VAL  19   4.110   9.636   3.232
  129    HA   VAL  19           HA       VAL  19   4.384  11.097   5.735
  130    HB   VAL  19           HB       VAL  19   2.180  10.512   6.203
  131   1HG1  VAL  19           HG13     VAL  19   2.597  12.184   4.405
  132   2HG1  VAL  19           HG11     VAL  19   2.391  10.907   3.195
  133   3HG1  VAL  19           HG12     VAL  19   1.032  11.364   4.237
  134   1HG2  VAL  19           HG22     VAL  19   2.634   8.040   4.768
  135   2HG2  VAL  19           HG23     VAL  19   1.255   8.534   5.760
  136   3HG2  VAL  19           HG21     VAL  19   1.279   8.887   4.028
  137    H    CYS  20           HN       CYS  20   5.260   7.868   4.809
  138    HA   CYS  20           HA       CYS  20   4.232   6.592   7.044
  139   1HB   CYS  20           HB2      CYS  20   4.579   5.517   5.078
  140   2HB   CYS  20           HB3      CYS  20   6.330   5.678   5.135
  141    HA   PRO  21           HA       PRO  21   7.134   7.900  10.203
  142   1HB   PRO  21           HB2      PRO  21   5.821   5.575  11.617
  143   2HB   PRO  21           HB3      PRO  21   6.195   7.198  12.262
  144   1HG   PRO  21           HG2      PRO  21   3.657   6.594  11.502
  145   2HG   PRO  21           HG3      PRO  21   4.373   8.165  11.018
  146   1HD   PRO  21           HD2      PRO  21   4.138   5.639   9.373
  147   2HD   PRO  21           HD3      PRO  21   3.744   7.334   8.954
  148    H    VAL  22           HN       VAL  22   6.886   4.700   8.791
  149    HA   VAL  22           HA       VAL  22   9.578   3.971   9.838
  150    HB   VAL  22           HB       VAL  22   7.650   2.801  10.932
  151   1HG1  VAL  22           HG13     VAL  22   7.176   1.616   8.165
  152   2HG1  VAL  22           HG11     VAL  22   6.506   0.989   9.678
  153   3HG1  VAL  22           HG12     VAL  22   6.074   2.611   9.124
  154   1HG2  VAL  22           HG21     VAL  22   9.866   1.839  10.966
  155   2HG2  VAL  22           HG22     VAL  22   8.610   0.592  10.889
  156   3HG2  VAL  22           HG23     VAL  22   9.563   0.981   9.447
  157    H    ASP  23           HN       ASP  23   8.641   5.407   7.369
  158    HA   ASP  23           HA       ASP  23   9.514   5.692   5.376
  159   1HB   ASP  23           HB2      ASP  23  11.350   3.360   6.079
  160   2HB   ASP  23           HB3      ASP  23  11.521   4.430   4.694
  161    H    CYS  24           HN       CYS  24   8.729   2.255   5.845
  162    HA   CYS  24           HA       CYS  24   9.135   1.602   3.144
  163   1HB   CYS  24           HB2      CYS  24   9.428   0.057   5.051
  164   2HB   CYS  24           HB3      CYS  24   7.658  -0.088   5.169
  165    HG   CYS  24           HSG      CYS  24   8.849  -2.138   3.905
  166    H    ILE  25           HN       ILE  25   7.658   3.413   2.361
  167    HA   ILE  25           HA       ILE  25   5.756   1.656   0.916
  168    HB   ILE  25           HB       ILE  25   5.858   4.701   0.922
  169   1HG1  ILE  25           HG12     ILE  25   3.158   3.829   1.150
  170   2HG1  ILE  25           HG13     ILE  25   4.115   2.768   2.221
  171   1HG2  ILE  25           HG21     ILE  25   4.304   2.858  -0.935
  172   2HG2  ILE  25           HG22     ILE  25   4.116   4.623  -0.835
  173   3HG2  ILE  25           HG23     ILE  25   5.641   3.941  -1.395
  174   1HD1  ILE  25           HD1      ILE  25   5.138   4.639   3.251
  175   2HD1  ILE  25           HD2      ILE  25   4.146   5.779   2.310
  176   3HD1  ILE  25           HD3      ILE  25   3.350   4.662   3.435
  177    H    HIS  26           HN       HIS  26   7.207   0.713  -0.551
  178    HA   HIS  26           HA       HIS  26   9.501   2.344  -1.531
  179   1HB   HIS  26           HB2      HIS  26  10.743   0.502  -1.507
  180   2HB   HIS  26           HB3      HIS  26   9.758   0.110  -0.124
  181    HD1  HIS  26           HND      HIS  26  10.933  -1.344  -3.311
  182    HD2  HIS  26           HD       HIS  26   7.527  -1.636  -0.843
  183    HE1  HIS  26           HE       HIS  26   9.806  -3.546  -3.887
  184    H    GLU  27           HN       GLU  27  10.125   1.349  -3.838
  185    HA   GLU  27           HA       GLU  27   7.637   1.475  -5.429
  186   1HB   GLU  27           HB2      GLU  27  10.568   1.886  -6.166
  187   2HB   GLU  27           HB3      GLU  27   9.225   1.793  -7.323
  188   1HG   GLU  27           HG2      GLU  27   8.989   3.847  -5.152
  189   2HG   GLU  27           HG3      GLU  27  10.083   4.135  -6.521
  190    H    GLY  28           HN       GLY  28   7.000  -0.184  -6.737
  191   1HA   GLY  28           HA2      GLY  28   8.858  -2.561  -6.997
  192   2HA   GLY  28           HA3      GLY  28   7.116  -2.648  -7.124
  193    H    GLU  29           HN       GLU  29   6.851  -3.298  -9.245
  194    HA   GLU  29           HA       GLU  29   8.599  -2.633 -11.324
  195   1HB   GLU  29           HB2      GLU  29   5.694  -3.642 -11.431
  196   2HB   GLU  29           HB3      GLU  29   6.910  -3.709 -12.690
  197   1HG   GLU  29           HG2      GLU  29   7.108  -5.832 -11.846
  198   2HG   GLU  29           HG3      GLU  29   8.318  -5.032 -10.837
  199    H    ASP  30           HN       ASP  30   5.166  -1.718 -11.022
  200    HA   ASP  30           HA       ASP  30   5.599   0.769 -12.611
  201   1HB   ASP  30           HB2      ASP  30   3.941  -0.636 -13.581
  202   2HB   ASP  30           HB3      ASP  30   3.192  -1.021 -12.030
  203    H    GLN  31           HN       GLN  31   3.401  -0.316 -10.081
  204    HA   GLN  31           HA       GLN  31   3.326   2.321  -8.871
  205   1HB   GLN  31           HB2      GLN  31   1.663   1.212  -7.314
  206   2HB   GLN  31           HB3      GLN  31   1.263   1.227  -9.026
  207   1HG   GLN  31           HG2      GLN  31   1.671  -1.088  -9.285
  208   2HG   GLN  31           HG3      GLN  31   2.756  -1.120  -7.905
  209   1HE2  GLN  31           HNE2     GLN  31  -1.075  -0.847  -6.527
  210   2HE2  GLN  31           HNE1     GLN  31  -0.355   0.463  -7.427
  211    H    TYR  32           HN       TYR  32   3.126   2.333  -6.380
  212    HA   TYR  32           HA       TYR  32   5.637   1.301  -5.282
  213   1HB   TYR  32           HB2      TYR  32   3.516   2.929  -3.821
  214   2HB   TYR  32           HB3      TYR  32   5.201   2.634  -3.377
  215    HD1  TYR  32           HD2      TYR  32   3.099   4.411  -5.918
  216    HD2  TYR  32           HD1      TYR  32   6.836   4.234  -3.773
  217    HE1  TYR  32           HE2      TYR  32   3.617   6.705  -6.635
  218    HE2  TYR  32           HE1      TYR  32   7.355   6.543  -4.505
  219    HH   TYR  32           HOH      TYR  32   4.977   8.528  -6.263
  220    H    TYR  33           HN       TYR  33   5.605   0.224  -3.260
  221    HA   TYR  33           HA       TYR  33   3.159  -1.365  -2.589
  222   1HB   TYR  33           HB2      TYR  33   6.005  -2.389  -2.683
  223   2HB   TYR  33           HB3      TYR  33   4.663  -3.282  -2.079
  224    HD1  TYR  33           HD2      TYR  33   5.674  -1.582  -5.294
  225    HD2  TYR  33           HD1      TYR  33   3.737  -4.924  -3.432
  226    HE1  TYR  33           HE2      TYR  33   4.938  -2.357  -7.490
  227    HE2  TYR  33           HE1      TYR  33   2.867  -5.651  -5.616
  228    HH   TYR  33           HOH      TYR  33   4.366  -4.406  -8.530
  229    H    ILE  34           HN       ILE  34   3.682  -2.421  -0.388
  230    HA   ILE  34           HA       ILE  34   5.275  -0.698   1.462
  231    HB   ILE  34           HB       ILE  34   2.385  -1.686   1.658
  232   1HG1  ILE  34           HG12     ILE  34   3.007   1.007   2.616
  233   2HG1  ILE  34           HG13     ILE  34   3.432   0.822   0.911
  234   1HG2  ILE  34           HG22     ILE  34   4.127  -0.726   3.961
  235   2HG2  ILE  34           HG23     ILE  34   2.360  -0.791   4.008
  236   3HG2  ILE  34           HG21     ILE  34   3.269  -2.277   3.805
  237   1HD1  ILE  34           HD2      ILE  34   0.707   0.066   2.015
  238   2HD1  ILE  34           HD3      ILE  34   1.105   1.676   1.398
  239   3HD1  ILE  34           HD1      ILE  34   1.185   0.271   0.313
  240    H    ASP  35           HN       ASP  35   6.060  -2.087   3.291
  241    HA   ASP  35           HA       ASP  35   5.644  -4.965   2.881
  242   1HB   ASP  35           HB2      ASP  35   7.981  -4.512   3.121
  243   2HB   ASP  35           HB3      ASP  35   7.706  -3.684   4.616
  244    HA   PRO  36           HA       PRO  36   2.577  -3.842   6.007
  245   1HB   PRO  36           HB2      PRO  36   1.414  -6.381   6.320
  246   2HB   PRO  36           HB3      PRO  36   0.967  -5.179   5.085
  247   1HG   PRO  36           HG2      PRO  36   2.842  -7.516   4.866
  248   2HG   PRO  36           HG3      PRO  36   1.583  -6.998   3.692
  249   1HD   PRO  36           HD2      PRO  36   4.200  -6.441   3.353
  250   2HD   PRO  36           HD3      PRO  36   2.970  -5.208   2.928
  251    H    ASP  37           HN       ASP  37   5.178  -6.362   6.376
  252    HA   ASP  37           HA       ASP  37   4.558  -6.811   9.152
  253   1HB   ASP  37           HB2      ASP  37   6.728  -7.400   7.292
  254   2HB   ASP  37           HB3      ASP  37   6.725  -7.908   8.939
  255    H    VAL  38           HN       VAL  38   6.218  -4.400   7.250
  256    HA   VAL  38           HA       VAL  38   7.872  -3.434   9.509
  257    HB   VAL  38           HB       VAL  38   7.452  -2.531   6.633
  258   1HG1  VAL  38           HG13     VAL  38   8.953  -1.188   8.881
  259   2HG1  VAL  38           HG11     VAL  38   9.299  -0.881   7.167
  260   3HG1  VAL  38           HG12     VAL  38   7.686  -0.521   7.811
  261   1HG2  VAL  38           HG21     VAL  38   8.963  -4.566   7.255
  262   2HG2  VAL  38           HG22     VAL  38   9.663  -3.279   6.262
  263   3HG2  VAL  38           HG23     VAL  38  10.032  -3.360   7.997
  264    H    CYS  39           HN       CYS  39   4.992  -2.520   7.585
  265    HA   CYS  39           HA       CYS  39   4.408  -0.047   8.735
  266   1HB   CYS  39           HB2      CYS  39   3.312  -1.010   6.778
  267   2HB   CYS  39           HB3      CYS  39   2.610  -2.249   7.807
  268    H    ILE  40           HN       ILE  40   3.390   0.662  10.575
  269    HA   ILE  40           HA       ILE  40   3.006  -1.306  12.784
  270    HB   ILE  40           HB       ILE  40   3.189   0.651  14.226
  271   1HG1  ILE  40           HG12     ILE  40   2.623   2.297  12.312
  272   2HG1  ILE  40           HG13     ILE  40   3.622   2.762  13.688
  273   1HG2  ILE  40           HG21     ILE  40   5.082  -0.829  13.880
  274   2HG2  ILE  40           HG22     ILE  40   5.599   0.087  12.457
  275   3HG2  ILE  40           HG23     ILE  40   5.641   0.839  14.069
  276   1HD1  ILE  40           HD2      ILE  40   4.794   1.911  11.024
  277   2HD1  ILE  40           HD3      ILE  40   4.481   3.586  11.505
  278   3HD1  ILE  40           HD1      ILE  40   5.653   2.613  12.410
  279    H    ASP  41           HN       ASP  41   0.977  -0.600  10.608
  280    HA   ASP  41           HA       ASP  41  -1.221   0.055  10.357
  281   1HB   ASP  41           HB2      ASP  41  -1.256  -1.418  12.998
  282   2HB   ASP  41           HB3      ASP  41  -2.733  -0.708  12.353
  283    H    CYS  42           HN       CYS  42   0.064   2.190  10.637
  284    HA   CYS  42           HA       CYS  42  -0.641   3.839  12.917
  285   1HB   CYS  42           HB2      CYS  42   0.642   5.449  11.970
  286   2HB   CYS  42           HB3      CYS  42   1.485   3.974  11.545
  287    H    GLY  43           HN       GLY  43  -1.216   6.272  11.251
  288   1HA   GLY  43           HA2      GLY  43  -4.076   6.040  10.593
  289   2HA   GLY  43           HA3      GLY  43  -3.000   7.399  10.238
  290    H    ALA  44           HN       ALA  44  -2.612   3.991   9.315
  291    HA   ALA  44           HA       ALA  44  -3.065   2.803   7.570
  292   1HB   ALA  44           HB2      ALA  44  -5.224   3.646   8.377
  293   2HB   ALA  44           HB3      ALA  44  -5.156   4.982   7.212
  294   3HB   ALA  44           HB1      ALA  44  -5.259   3.308   6.642
  295    H    CYS  45           HN       CYS  45  -1.928   5.909   6.721
  296    HA   CYS  45           HA       CYS  45  -1.532   7.027   4.791
  297   1HB   CYS  45           HB2      CYS  45  -0.358   5.827   3.002
  298   2HB   CYS  45           HB3      CYS  45   0.425   6.050   4.537
  299    H    GLU  46           HN       GLU  46  -4.135   6.193   5.324
  300    HA   GLU  46           HA       GLU  46  -5.267   5.274   2.729
  301   1HB   GLU  46           HB2      GLU  46  -5.967   4.158   4.756
  302   2HB   GLU  46           HB3      GLU  46  -6.559   5.673   5.464
  303   1HG   GLU  46           HG2      GLU  46  -8.202   5.807   3.531
  304   2HG   GLU  46           HG3      GLU  46  -7.643   4.200   3.034
  305    H    ALA  47           HN       ALA  47  -6.230   7.757   5.111
  306    HA   ALA  47           HA       ALA  47  -7.915   9.206   3.469
  307   1HB   ALA  47           HB2      ALA  47  -7.727   9.447   5.937
  308   2HB   ALA  47           HB3      ALA  47  -6.184  10.307   5.727
  309   3HB   ALA  47           HB1      ALA  47  -7.690  11.017   5.107
  310    H    VAL  48           HN       VAL  48  -4.406   9.427   3.673
  311    HA   VAL  48           HA       VAL  48  -4.211  11.928   2.216
  312    HB   VAL  48           HB       VAL  48  -1.815  11.507   2.210
  313   1HG1  VAL  48           HG13     VAL  48  -2.939  12.505   4.196
  314   2HG1  VAL  48           HG11     VAL  48  -3.049  10.893   4.933
  315   3HG1  VAL  48           HG12     VAL  48  -1.463  11.619   4.615
  316   1HG2  VAL  48           HG21     VAL  48  -1.780   9.039   1.920
  317   2HG2  VAL  48           HG22     VAL  48  -0.835   9.559   3.319
  318   3HG2  VAL  48           HG23     VAL  48  -2.437   8.841   3.559
  319    H    CYS  49           HN       CYS  49  -4.520   8.529   1.214
  320    HA   CYS  49           HA       CYS  49  -3.199   8.935  -1.337
  321   1HB   CYS  49           HB2      CYS  49  -3.301   6.702  -0.363
  322   2HB   CYS  49           HB3      CYS  49  -5.053   6.813  -0.342
  323    HA   PRO  50           HA       PRO  50  -6.751  11.399  -2.666
  324   1HB   PRO  50           HB2      PRO  50  -5.871  10.813  -5.466
  325   2HB   PRO  50           HB3      PRO  50  -6.149  12.387  -4.678
  326   1HG   PRO  50           HG2      PRO  50  -3.624  11.348  -5.200
  327   2HG   PRO  50           HG3      PRO  50  -3.969  12.453  -3.845
  328   1HD   PRO  50           HD2      PRO  50  -3.505   9.509  -3.780
  329   2HD   PRO  50           HD3      PRO  50  -3.208  10.768  -2.549
  330    H    VAL  51           HN       VAL  51  -5.926   8.296  -4.178
  331    HA   VAL  51           HA       VAL  51  -8.652   7.868  -5.207
  332    HB   VAL  51           HB       VAL  51  -6.177   6.090  -5.299
  333   1HG1  VAL  51           HG12     VAL  51  -8.840   6.027  -6.782
  334   2HG1  VAL  51           HG13     VAL  51  -7.402   5.141  -7.324
  335   3HG1  VAL  51           HG11     VAL  51  -8.130   4.752  -5.765
  336   1HG2  VAL  51           HG21     VAL  51  -7.227   8.145  -7.293
  337   2HG2  VAL  51           HG22     VAL  51  -5.662   8.181  -6.449
  338   3HG2  VAL  51           HG23     VAL  51  -5.984   6.930  -7.648
  339    H    SER  52           HN       SER  52  -6.903   7.309  -2.272
  340    HA   SER  52           HA       SER  52  -6.990   5.774  -0.611
  341   1HB   SER  52           HB2      SER  52  -9.959   5.749  -1.172
  342   2HB   SER  52           HB3      SER  52  -9.128   5.392   0.355
  343    HG   SER  52           HOG      SER  52  -8.204   7.718  -0.278
  344    H    ALA  53           HN       ALA  53  -5.956   4.644  -2.627
  345    HA   ALA  53           HA       ALA  53  -7.198   2.110  -3.424
  346   1HB   ALA  53           HB2      ALA  53  -4.416   3.298  -3.858
  347   2HB   ALA  53           HB3      ALA  53  -5.025   1.817  -4.616
  348   3HB   ALA  53           HB1      ALA  53  -5.769   3.384  -5.005
  349    H    ILE  54           HN       ILE  54  -4.902   3.376  -1.045
  350    HA   ILE  54           HA       ILE  54  -3.804   0.817  -0.297
  351    HB   ILE  54           HB       ILE  54  -3.759   3.622   0.819
  352   1HG1  ILE  54           HG12     ILE  54  -1.561   1.662   0.008
  353   2HG1  ILE  54           HG13     ILE  54  -2.347   2.774  -1.120
  354   1HG2  ILE  54           HG22     ILE  54  -2.832   1.101   2.238
  355   2HG2  ILE  54           HG23     ILE  54  -2.194   2.719   2.602
  356   3HG2  ILE  54           HG21     ILE  54  -3.902   2.409   2.830
  357   1HD1  ILE  54           HD2      ILE  54  -1.576   4.710   0.229
  358   2HD1  ILE  54           HD3      ILE  54  -0.700   3.603   1.307
  359   3HD1  ILE  54           HD1      ILE  54  -0.237   3.715  -0.384
  360    H    TYR  55           HN       TYR  55  -4.793  -0.756   0.809
  361    HA   TYR  55           HA       TYR  55  -7.018  -0.135   2.668
  362   1HB   TYR  55           HB2      TYR  55  -6.895  -2.127   0.450
  363   2HB   TYR  55           HB3      TYR  55  -8.115  -2.214   1.722
  364    HD1  TYR  55           HD1      TYR  55  -9.087   0.531   2.033
  365    HD2  TYR  55           HD2      TYR  55  -8.045  -1.645  -1.545
  366    HE1  TYR  55           HE1      TYR  55 -10.560   1.996   0.700
  367    HE2  TYR  55           HE2      TYR  55  -9.550  -0.198  -2.861
  368    HH   TYR  55           HOH      TYR  55 -10.305   2.682  -1.974
  369    H    HIS  56           HN       HIS  56  -7.423  -1.686   4.259
  370    HA   HIS  56           HA       HIS  56  -4.968  -2.771   5.267
  371   1HB   HIS  56           HB2      HIS  56  -6.866  -1.753   6.606
  372   2HB   HIS  56           HB3      HIS  56  -7.835  -3.180   6.250
  373    HD1  HIS  56           HND      HIS  56  -7.478  -5.205   7.948
  374    HD2  HIS  56           HD       HIS  56  -4.466  -2.278   8.002
  375    HE1  HIS  56           HE       HIS  56  -5.754  -5.970   9.655
  376    H    GLU  57           HN       GLU  57  -4.372  -4.976   5.602
  377    HA   GLU  57           HA       GLU  57  -4.763  -6.768   3.573
  378   1HB   GLU  57           HB2      GLU  57  -4.272  -7.244   6.550
  379   2HB   GLU  57           HB3      GLU  57  -3.946  -8.434   5.283
  380   1HG   GLU  57           HG2      GLU  57  -2.183  -7.276   4.399
  381   2HG   GLU  57           HG3      GLU  57  -2.603  -5.782   5.258
  382    H    ASP  58           HN       ASP  58  -6.884  -6.300   6.302
  383    HA   ASP  58           HA       ASP  58  -8.315  -8.818   6.039
  384   1HB   ASP  58           HB2      ASP  58  -8.176  -7.577   8.175
  385   2HB   ASP  58           HB3      ASP  58  -9.108  -6.235   7.469
  386    H    PHE  59           HN       PHE  59  -9.060  -5.387   5.321
  387    HA   PHE  59           HA       PHE  59 -11.613  -5.620   4.212
  388   1HB   PHE  59           HB2      PHE  59  -9.347  -3.613   3.911
  389   2HB   PHE  59           HB3      PHE  59 -11.006  -3.349   3.470
  390    HD1  PHE  59           HD1      PHE  59 -11.372  -5.061   6.515
  391    HD2  PHE  59           HD2      PHE  59 -10.067  -1.254   4.914
  392    HE1  PHE  59           HE1      PHE  59 -11.622  -4.035   8.726
  393    HE2  PHE  59           HE2      PHE  59 -10.322  -0.237   7.152
  394    HZ   PHE  59           HZ       PHE  59 -11.093  -1.622   9.069
  395    H    VAL  60           HN       VAL  60  -8.338  -5.714   2.984
  396    HA   VAL  60           HA       VAL  60  -8.672  -5.243   0.274
  397    HB   VAL  60           HB       VAL  60  -6.683  -6.737   1.964
  398   1HG1  VAL  60           HG12     VAL  60  -6.934  -7.127  -1.056
  399   2HG1  VAL  60           HG13     VAL  60  -5.427  -7.288  -0.164
  400   3HG1  VAL  60           HG11     VAL  60  -6.763  -8.379   0.204
  401   1HG2  VAL  60           HG21     VAL  60  -6.822  -4.269   1.367
  402   2HG2  VAL  60           HG22     VAL  60  -5.297  -5.058   0.969
  403   3HG2  VAL  60           HG23     VAL  60  -6.519  -4.782  -0.315
  404    HA   PRO  61           HA       PRO  61 -11.570  -8.437  -0.787
  405   1HB   PRO  61           HB2      PRO  61 -11.005  -8.363  -3.622
  406   2HB   PRO  61           HB3      PRO  61 -12.359  -7.609  -2.748
  407   1HG   PRO  61           HG2      PRO  61  -9.959  -6.384  -3.861
  408   2HG   PRO  61           HG3      PRO  61 -11.398  -5.573  -3.195
  409   1HD   PRO  61           HD2      PRO  61  -8.809  -5.746  -1.967
  410   2HD   PRO  61           HD3      PRO  61 -10.334  -5.160  -1.236
  411    H    GLU  62           HN       GLU  62 -11.537 -10.783  -1.376
  412    HA   GLU  62           HA       GLU  62  -9.297 -12.192  -1.022
  413   1HB   GLU  62           HB2      GLU  62 -12.045 -12.538  -2.169
  414   2HB   GLU  62           HB3      GLU  62 -10.866 -13.712  -2.619
  415   1HG   GLU  62           HG2      GLU  62 -12.050 -14.345  -0.499
  416   2HG   GLU  62           HG3      GLU  62 -10.319 -14.121  -0.206
  417    H    GLU  63           HN       GLU  63 -10.450 -10.999  -4.118
  418    HA   GLU  63           HA       GLU  63  -8.632 -12.159  -5.875
  419   1HB   GLU  63           HB2      GLU  63 -10.560 -10.465  -6.130
  420   2HB   GLU  63           HB3      GLU  63  -9.271  -9.248  -6.152
  421   1HG   GLU  63           HG2      GLU  63  -9.645 -11.659  -8.005
  422   2HG   GLU  63           HG3      GLU  63 -10.043  -9.982  -8.386
  423    H    TRP  64           HN       TRP  64  -8.257  -9.222  -3.846
  424    HA   TRP  64           HA       TRP  64  -5.428  -8.948  -4.653
  425   1HB   TRP  64           HB2      TRP  64  -7.359  -7.005  -3.370
  426   2HB   TRP  64           HB3      TRP  64  -5.710  -6.623  -3.829
  427    HD1  TRP  64           HD       TRP  64  -6.211  -8.588  -6.608
  428    HE1  TRP  64           HNE      TRP  64  -7.578  -7.807  -8.496
  429    HE3  TRP  64           HE       TRP  64  -8.378  -4.506  -4.336
  430    HZ2  TRP  64           HZ1      TRP  64  -9.359  -5.579  -9.098
  431    HZ3  TRP  64           HZ2      TRP  64  -9.805  -2.995  -5.694
  432    HH2  TRP  64           HH       TRP  64 -10.350  -3.551  -8.046
  433    H    LYS  65           HN       LYS  65  -6.941 -10.477  -2.122
  434    HA   LYS  65           HA       LYS  65  -4.805 -10.260  -0.225
  435   1HB   LYS  65           HB2      LYS  65  -6.646 -12.511  -0.982
  436   2HB   LYS  65           HB3      LYS  65  -5.094 -12.924  -0.277
  437   1HG   LYS  65           HG2      LYS  65  -6.317 -12.828   1.608
  438   2HG   LYS  65           HG3      LYS  65  -5.645 -11.199   1.593
  439   1HD   LYS  65           HD2      LYS  65  -7.872 -10.517   0.420
  440   2HD   LYS  65           HD3      LYS  65  -8.427 -12.162   0.851
  441   1HE   LYS  65           HE2      LYS  65  -8.004 -11.706   3.245
  442   2HE   LYS  65           HE3      LYS  65  -7.474 -10.081   2.781
  443   1HZ   LYS  65           HNZ3     LYS  65  -9.685  -9.712   1.887
  444   2HZ   LYS  65           HNZ1     LYS  65 -10.191 -11.177   2.426
  445   3HZ   LYS  65           HNZ2     LYS  65  -9.746  -9.931   3.485
  446    H    SER  66           HN       SER  66  -4.916 -11.580  -3.563
  447    HA   SER  66           HA       SER  66  -2.385 -12.788  -3.643
  448   1HB   SER  66           HB2      SER  66  -3.720 -11.152  -5.842
  449   2HB   SER  66           HB3      SER  66  -2.478 -12.406  -6.026
  450    HG   SER  66           HOG      SER  66  -5.187 -12.631  -5.512
  451    H    TYR  67           HN       TYR  67  -3.228  -9.276  -4.074
  452    HA   TYR  67           HA       TYR  67  -0.462  -8.518  -4.616
  453   1HB   TYR  67           HB2      TYR  67  -2.953  -6.980  -3.712
  454   2HB   TYR  67           HB3      TYR  67  -1.374  -6.237  -3.744
  455    HD1  TYR  67           HD2      TYR  67  -0.063  -6.639  -6.145
  456    HD2  TYR  67           HD1      TYR  67  -4.327  -6.635  -5.576
  457    HE1  TYR  67           HE2      TYR  67  -0.399  -6.267  -8.578
  458    HE2  TYR  67           HE1      TYR  67  -4.658  -6.266  -8.001
  459    HH   TYR  67           HOH      TYR  67  -3.603  -5.697 -10.002
  460    H    ILE  68           HN       ILE  68  -2.533  -8.664  -1.615
  461    HA   ILE  68           HA       ILE  68  -0.535  -7.453  -0.097
  462    HB   ILE  68           HB       ILE  68  -2.903  -9.262   0.391
  463   1HG1  ILE  68           HG12     ILE  68  -3.895  -7.408   1.293
  464   2HG1  ILE  68           HG13     ILE  68  -2.380  -6.621   1.704
  465   1HG2  ILE  68           HG23     ILE  68  -0.998  -8.438   2.597
  466   2HG2  ILE  68           HG21     ILE  68  -2.662  -9.029   2.837
  467   3HG2  ILE  68           HG22     ILE  68  -1.455 -10.090   2.113
  468   1HD1  ILE  68           HD3      ILE  68  -2.015  -6.036  -0.716
  469   2HD1  ILE  68           HD1      ILE  68  -3.544  -6.794  -1.114
  470   3HD1  ILE  68           HD2      ILE  68  -3.493  -5.375  -0.083
  471    H    GLN  69           HN       GLN  69  -1.103 -10.925  -0.823
  472    HA   GLN  69           HA       GLN  69   1.183 -11.952   0.504
  473   1HB   GLN  69           HB2      GLN  69  -0.504 -12.777  -1.862
  474   2HB   GLN  69           HB3      GLN  69   0.956 -13.662  -1.446
  475   1HG   GLN  69           HG2      GLN  69   0.165 -14.220   0.720
  476   2HG   GLN  69           HG3      GLN  69  -1.160 -13.047   0.641
  477   1HE2  GLN  69           HNE2     GLN  69  -3.223 -15.034  -1.537
  478   2HE2  GLN  69           HNE1     GLN  69  -2.707 -13.373  -1.219
  479    H    LYS  70           HN       LYS  70   0.850 -10.320  -2.706
  480    HA   LYS  70           HA       LYS  70   3.568 -10.739  -3.390
  481   1HB   LYS  70           HB2      LYS  70   1.574  -9.921  -4.879
  482   2HB   LYS  70           HB3      LYS  70   1.924  -8.323  -4.250
  483   1HG   LYS  70           HG2      LYS  70   4.205  -8.372  -5.105
  484   2HG   LYS  70           HG3      LYS  70   3.973 -10.033  -5.691
  485   1HD   LYS  70           HD2      LYS  70   2.154  -9.297  -7.181
  486   2HD   LYS  70           HD3      LYS  70   2.314  -7.628  -6.634
  487   1HE   LYS  70           HE2      LYS  70   4.566  -9.208  -7.974
  488   2HE   LYS  70           HE3      LYS  70   3.429  -8.179  -8.856
  489   1HZ   LYS  70           HNZ2     LYS  70   5.220  -7.166  -6.735
  490   2HZ   LYS  70           HNZ3     LYS  70   5.484  -7.078  -8.346
  491   3HZ   LYS  70           HNZ1     LYS  70   4.227  -6.281  -7.715
  492    H    ASN  71           HN       ASN  71   2.138  -7.686  -1.986
  493    HA   ASN  71           HA       ASN  71   4.567  -6.418  -1.475
  494   1HB   ASN  71           HB2      ASN  71   1.890  -6.618   0.021
  495   2HB   ASN  71           HB3      ASN  71   3.133  -5.547   0.606
  496   1HD2  ASN  71           HND2     ASN  71   1.239  -4.581  -2.934
  497   2HD2  ASN  71           HND1     ASN  71   1.171  -6.237  -2.374
  498    H    ARG  72           HN       ARG  72   3.017  -9.018   0.475
  499    HA   ARG  72           HA       ARG  72   5.074  -8.982   2.447
  500   1HB   ARG  72           HB2      ARG  72   2.987 -10.924   1.426
  501   2HB   ARG  72           HB3      ARG  72   4.246 -11.478   2.504
  502   1HG   ARG  72           HG2      ARG  72   3.676  -9.711   4.119
  503   2HG   ARG  72           HG3      ARG  72   2.540  -8.993   2.972
  504   1HD   ARG  72           HD2      ARG  72   0.972 -10.782   3.184
  505   2HD   ARG  72           HD3      ARG  72   2.065 -11.740   4.182
  506    HE   ARG  72           HNE      ARG  72   0.377  -9.479   5.065
  507   1HH1  ARG  72           HN22     ARG  72   3.375 -11.262   5.770
  508   2HH1  ARG  72           HN21     ARG  72   3.647 -10.332   7.225
  509   1HH2  ARG  72           HN12     ARG  72   0.700  -8.476   7.070
  510   2HH2  ARG  72           HN11     ARG  72   2.268  -8.780   7.916
  511    H    ASP  73           HN       ASP  73   4.695 -11.040  -0.487
  512    HA   ASP  73           HA       ASP  73   6.885 -12.626  -0.404
  513   1HB   ASP  73           HB2      ASP  73   5.046 -12.393  -2.209
  514   2HB   ASP  73           HB3      ASP  73   6.034 -11.169  -2.969
  515    H    PHE  74           HN       PHE  74   6.670  -9.419  -1.744
  516    HA   PHE  74           HA       PHE  74   9.129  -8.966  -2.929
  517   1HB   PHE  74           HB2      PHE  74   6.996  -7.316  -1.560
  518   2HB   PHE  74           HB3      PHE  74   8.499  -6.528  -1.906
  519    HD1  PHE  74           HD2      PHE  74   7.544  -9.042  -4.456
  520    HD2  PHE  74           HD1      PHE  74   7.042  -4.961  -3.167
  521    HE1  PHE  74           HE2      PHE  74   7.732  -8.273  -6.797
  522    HE2  PHE  74           HE1      PHE  74   7.180  -4.204  -5.500
  523    HZ   PHE  74           HZ       PHE  74   7.623  -5.841  -7.323
  524    H    PHE  75           HN       PHE  75   8.492  -8.896   0.554
  525    HA   PHE  75           HA       PHE  75  11.393  -8.219   0.976
  526   1HB   PHE  75           HB2      PHE  75   8.943  -7.603   2.663
  527   2HB   PHE  75           HB3      PHE  75  10.586  -7.210   3.093
  528    HD1  PHE  75           HD1      PHE  75   7.817  -6.478   0.789
  529    HD2  PHE  75           HD2      PHE  75  11.687  -5.236   2.192
  530    HE1  PHE  75           HE1      PHE  75   7.307  -4.167   0.092
  531    HE2  PHE  75           HE2      PHE  75  11.174  -2.901   1.518
  532    HZ   PHE  75           HZ       PHE  75   8.907  -2.359   0.656
  533    H    LYS  76           HN       LYS  76   9.725 -10.910   0.870
  534    HA   LYS  76           HA       LYS  76  10.539 -11.904   3.574
  535   1HB   LYS  76           HB2      LYS  76   8.043 -11.815   2.184
  536   2HB   LYS  76           HB3      LYS  76   8.563 -13.469   2.221
  537   1HG   LYS  76           HG2      LYS  76   7.145 -12.879   4.170
  538   2HG   LYS  76           HG3      LYS  76   8.768 -13.293   4.718
  539   1HD   LYS  76           HD2      LYS  76   7.788 -11.370   5.926
  540   2HD   LYS  76           HD3      LYS  76   9.305 -10.937   5.136
  541   1HE   LYS  76           HE2      LYS  76   8.112  -9.750   3.371
  542   2HE   LYS  76           HE3      LYS  76   6.548 -10.343   3.974
  543   1HZ   LYS  76           HNZ1     LYS  76   7.010  -9.103   6.011
  544   2HZ   LYS  76           HNZ2     LYS  76   8.303  -8.317   5.274
  545   3HZ   LYS  76           HNZ3     LYS  76   6.826  -8.117   4.748
  546    H    LYS  77           HN       LYS  77  10.544 -12.539   0.052
  547    HA   LYS  77           HA       LYS  77  11.817 -15.184   0.549
  548   1HB   LYS  77           HB2      LYS  77   9.318 -15.196   0.761
  549   2HB   LYS  77           HB3      LYS  77   9.171 -14.515  -0.843
  550   1HG   LYS  77           HG2      LYS  77  10.887 -16.863  -0.976
  551   2HG   LYS  77           HG3      LYS  77   9.510 -17.204   0.079
  552   1HD   LYS  77           HD2      LYS  77   8.874 -17.921  -2.088
  553   2HD   LYS  77           HD3      LYS  77   7.951 -16.456  -1.771
  554   1HE   LYS  77           HE2      LYS  77  10.540 -16.555  -3.438
  555   2HE   LYS  77           HE3      LYS  77   8.901 -16.703  -4.105
  556   1HZ   LYS  77           HNZ2     LYS  77   8.435 -14.536  -3.080
  557   2HZ   LYS  77           HNZ3     LYS  77  10.034 -14.313  -2.810
  558   3HZ   LYS  77           HNZ1     LYS  77   9.457 -14.441  -4.326
   
  No H/Q in entry =         557
  Start of MODEL   20
    1   1H    ALA   1           HN1      ALA   1  -1.782  -5.489   8.118
    2   2H    ALA   1           HN2      ALA   1  -2.657  -4.505   9.153
    3   2H    ALA   1           HN3      ALA   1  -2.657  -4.505   9.153
    4    HA   ALA   1           HA       ALA   1  -1.153  -2.717   8.906
    5   1HB   ALA   1           HB1      ALA   1   0.471  -4.816   7.487
    6   2HB   ALA   1           HB2      ALA   1   0.855  -3.095   7.332
    7   3HB   ALA   1           HB3      ALA   1   0.911  -3.879   8.928
    8    H    TYR   2           HN       TYR   2  -0.553  -1.461   6.828
    9    HA   TYR   2           HA       TYR   2  -2.844  -1.515   4.990
   10   1HB   TYR   2           HB2      TYR   2  -2.285   0.656   5.528
   11   2HB   TYR   2           HB3      TYR   2  -0.569   0.298   5.628
   12    HD1  TYR   2           HD1      TYR   2  -2.692  -0.291   2.531
   13    HD2  TYR   2           HD2      TYR   2   0.086   2.272   4.526
   14    HE1  TYR   2           HE1      TYR   2  -1.885   0.562   0.342
   15    HE2  TYR   2           HE2      TYR   2   0.627   3.378   2.397
   16    HH   TYR   2           HOH      TYR   2   0.210   3.426   0.095
   17    H    VAL   3           HN       VAL   3  -2.837  -2.448   3.037
   18    HA   VAL   3           HA       VAL   3  -0.251  -2.981   1.643
   19    HB   VAL   3           HB       VAL   3  -2.438  -5.001   2.178
   20   1HG1  VAL   3           HG11     VAL   3  -1.677  -4.962  -0.349
   21   2HG1  VAL   3           HG12     VAL   3  -0.145  -5.551   0.297
   22   3HG1  VAL   3           HG13     VAL   3  -1.650  -6.432   0.553
   23   1HG2  VAL   3           HG21     VAL   3   0.617  -4.928   2.481
   24   2HG2  VAL   3           HG22     VAL   3  -0.570  -4.956   3.794
   25   3HG2  VAL   3           HG23     VAL   3  -0.352  -6.373   2.744
   26    H    ILE   4           HN       ILE   4  -0.337  -2.875  -0.538
   27    HA   ILE   4           HA       ILE   4  -2.182  -0.951  -1.550
   28    HB   ILE   4           HB       ILE   4   0.349  -1.873  -2.243
   29   1HG1  ILE   4           HG12     ILE   4  -0.057  -0.754  -4.553
   30   2HG1  ILE   4           HG13     ILE   4  -1.736  -0.567  -4.109
   31   1HG2  ILE   4           HG21     ILE   4  -0.695  -3.998  -3.040
   32   2HG2  ILE   4           HG22     ILE   4  -1.193  -3.089  -4.482
   33   3HG2  ILE   4           HG23     ILE   4   0.529  -3.175  -4.045
   34   1HD1  ILE   4           HD3      ILE   4   0.642   0.626  -2.604
   35   2HD1  ILE   4           HD1      ILE   4  -0.462   1.491  -3.682
   36   3HD1  ILE   4           HD2      ILE   4  -1.057   0.852  -2.146
   37    H    THR   5           HN       THR   5  -3.560  -1.303  -3.513
   38    HA   THR   5           HA       THR   5  -4.364  -4.163  -3.904
   39    HB   THR   5           HB       THR   5  -6.539  -3.104  -4.812
   40    HG1  THR   5           HOG      THR   5  -5.784  -1.005  -3.031
   41   1HG2  THR   5           HG2      THR   5  -6.457  -4.441  -2.768
   42   2HG2  THR   5           HG3      THR   5  -6.026  -2.985  -1.829
   43   3HG2  THR   5           HG1      THR   5  -7.625  -3.121  -2.608
   44    H    GLU   6           HN       GLU   6  -5.201  -1.279  -5.664
   45    HA   GLU   6           HA       GLU   6  -3.876  -2.296  -8.106
   46   1HB   GLU   6           HB2      GLU   6  -5.453  -3.980  -7.497
   47   2HB   GLU   6           HB3      GLU   6  -6.712  -2.790  -7.451
   48   1HG   GLU   6           HG2      GLU   6  -7.143  -3.324  -9.557
   49   2HG   GLU   6           HG3      GLU   6  -5.623  -2.559 -10.058
   50    HA   PRO   7           HA       PRO   7  -6.464   1.582  -9.230
   51   1HB   PRO   7           HB2      PRO   7  -7.097   2.809  -6.595
   52   2HB   PRO   7           HB3      PRO   7  -8.048   2.780  -8.096
   53   1HG   PRO   7           HG2      PRO   7  -8.458   1.142  -5.833
   54   2HG   PRO   7           HG3      PRO   7  -9.091   0.813  -7.467
   55   1HD   PRO   7           HD2      PRO   7  -7.024  -0.625  -6.040
   56   2HD   PRO   7           HD3      PRO   7  -7.767  -0.959  -7.626
   57    H    CYS   8           HN       CYS   8  -3.842   1.182  -7.011
   58    HA   CYS   8           HA       CYS   8  -2.857   3.925  -7.160
   59   1HB   CYS   8           HB2      CYS   8  -2.194   2.381  -5.355
   60   2HB   CYS   8           HB3      CYS   8  -1.479   1.322  -6.567
   61    H    ILE   9           HN       ILE   9  -2.781   0.973  -9.228
   62    HA   ILE   9           HA       ILE   9  -0.386   1.278 -10.438
   63    HB   ILE   9           HB       ILE   9  -3.002   0.210 -11.534
   64   1HG1  ILE   9           HG12     ILE   9  -0.651  -0.890 -10.007
   65   2HG1  ILE   9           HG13     ILE   9  -2.284  -0.906  -9.480
   66   1HG2  ILE   9           HG23     ILE   9  -0.138  -0.148 -12.557
   67   2HG2  ILE   9           HG21     ILE   9  -1.536  -1.097 -13.118
   68   3HG2  ILE   9           HG22     ILE   9  -1.466   0.632 -13.434
   69   1HD1  ILE   9           HD2      ILE   9  -2.664  -2.506 -11.459
   70   2HD1  ILE   9           HD3      ILE   9  -0.872  -2.714 -11.319
   71   3HD1  ILE   9           HD1      ILE   9  -1.918  -2.996  -9.909
   72    H    GLY  10           HN       GLY  10   0.571   2.770 -11.515
   73   1HA   GLY  10           HA2      GLY  10   1.071   4.470 -12.916
   74   2HA   GLY  10           HA3      GLY  10  -0.339   3.994 -13.865
   75    H    THR  11           HN       THR  11  -1.404   4.874 -10.722
   76    HA   THR  11           HA       THR  11  -2.794   7.110 -11.783
   77    HB   THR  11           HB       THR  11  -2.413   6.153  -8.916
   78    HG1  THR  11           HOG      THR  11  -4.189   4.918  -9.426
   79   1HG2  THR  11           HG2      THR  11  -3.347   8.479  -8.996
   80   2HG2  THR  11           HG3      THR  11  -4.610   7.908 -10.111
   81   3HG2  THR  11           HG1      THR  11  -4.534   7.287  -8.446
   82    H    LYS  12           HN       LYS  12   0.057   6.917  -9.556
   83    HA   LYS  12           HA       LYS  12   0.963   9.483 -10.455
   84   1HB   LYS  12           HB2      LYS  12  -0.911   9.715  -8.430
   85   2HB   LYS  12           HB3      LYS  12   0.555   9.490  -7.483
   86   1HG   LYS  12           HG2      LYS  12   1.520  11.432  -9.003
   87   2HG   LYS  12           HG3      LYS  12  -0.137  11.635  -9.520
   88   1HD   LYS  12           HD2      LYS  12  -0.515  12.940  -7.727
   89   2HD   LYS  12           HD3      LYS  12  -0.330  11.526  -6.699
   90   1HE   LYS  12           HE2      LYS  12   1.779  13.615  -7.417
   91   2HE   LYS  12           HE3      LYS  12   1.098  13.226  -5.824
   92   1HZ   LYS  12           HNZ3     LYS  12   2.172  10.981  -6.156
   93   2HZ   LYS  12           HNZ1     LYS  12   2.989  11.665  -7.422
   94   3HZ   LYS  12           HNZ2     LYS  12   3.218  12.167  -5.882
   95    H    ASP  13           HN       ASP  13   3.050  10.028  -9.346
   96    HA   ASP  13           HA       ASP  13   4.724   7.780  -8.560
   97   1HB   ASP  13           HB2      ASP  13   6.378   9.604  -8.314
   98   2HB   ASP  13           HB3      ASP  13   5.523   9.802  -9.849
   99    H    ALA  14           HN       ALA  14   6.016   8.506  -6.479
  100    HA   ALA  14           HA       ALA  14   5.168   8.122  -4.076
  101   1HB   ALA  14           HB2      ALA  14   7.402   9.024  -4.665
  102   2HB   ALA  14           HB3      ALA  14   6.707  10.658  -4.758
  103   3HB   ALA  14           HB1      ALA  14   6.736   9.799  -3.210
  104    H    SER  15           HN       SER  15   3.436   8.554  -2.874
  105    HA   SER  15           HA       SER  15   2.520  11.321  -2.489
  106   1HB   SER  15           HB2      SER  15   0.541   9.189  -3.293
  107   2HB   SER  15           HB3      SER  15   0.225  10.916  -3.072
  108    HG   SER  15           HOG      SER  15   1.669   9.530  -5.095
  109    H    CYS  16           HN       CYS  16   2.217   7.845  -1.574
  110    HA   CYS  16           HA       CYS  16   1.307   8.662   1.142
  111   1HB   CYS  16           HB2      CYS  16   0.633   6.332   1.357
  112   2HB   CYS  16           HB3      CYS  16  -0.260   7.217   0.136
  113    H    VAL  17           HN       VAL  17   4.190   8.863   0.250
  114    HA   VAL  17           HA       VAL  17   5.362   6.611   1.868
  115    HB   VAL  17           HB       VAL  17   6.434   6.269  -0.053
  116   1HG1  VAL  17           HG11     VAL  17   5.326   7.889  -1.479
  117   2HG1  VAL  17           HG12     VAL  17   6.387   9.182  -0.859
  118   3HG1  VAL  17           HG13     VAL  17   7.060   7.829  -1.781
  119   1HG2  VAL  17           HG21     VAL  17   8.165   6.938   1.607
  120   2HG2  VAL  17           HG22     VAL  17   8.659   7.188  -0.075
  121   3HG2  VAL  17           HG23     VAL  17   8.169   8.575   0.904
  122    H    GLU  18           HN       GLU  18   5.692  10.034   1.183
  123    HA   GLU  18           HA       GLU  18   7.553  10.711   3.178
  124   1HB   GLU  18           HB2      GLU  18   6.618  13.026   2.807
  125   2HB   GLU  18           HB3      GLU  18   7.220  12.203   1.361
  126   1HG   GLU  18           HG2      GLU  18   4.291  12.231   2.100
  127   2HG   GLU  18           HG3      GLU  18   5.041  13.569   1.246
  128    H    VAL  19           HN       VAL  19   4.204   9.977   3.531
  129    HA   VAL  19           HA       VAL  19   3.831  11.470   6.009
  130    HB   VAL  19           HB       VAL  19   1.592  10.621   5.946
  131   1HG1  VAL  19           HG13     VAL  19   2.278  12.456   4.344
  132   2HG1  VAL  19           HG11     VAL  19   2.377  11.223   3.065
  133   3HG1  VAL  19           HG12     VAL  19   0.837  11.536   3.876
  134   1HG2  VAL  19           HG22     VAL  19   2.613   8.676   3.833
  135   2HG2  VAL  19           HG23     VAL  19   1.776   8.322   5.355
  136   3HG2  VAL  19           HG21     VAL  19   0.902   9.081   4.014
  137    H    CYS  20           HN       CYS  20   4.953   8.189   5.215
  138    HA   CYS  20           HA       CYS  20   3.651   7.047   7.522
  139   1HB   CYS  20           HB2      CYS  20   3.801   5.750   5.595
  140   2HB   CYS  20           HB3      CYS  20   5.552   5.949   5.519
  141    HA   PRO  21           HA       PRO  21   6.827   8.139  10.533
  142   1HB   PRO  21           HB2      PRO  21   5.636   5.652  11.795
  143   2HB   PRO  21           HB3      PRO  21   6.158   7.158  12.605
  144   1HG   PRO  21           HG2      PRO  21   3.537   6.800  12.043
  145   2HG   PRO  21           HG3      PRO  21   4.302   8.369  11.637
  146   1HD   PRO  21           HD2      PRO  21   3.717   6.047   9.798
  147   2HD   PRO  21           HD3      PRO  21   3.459   7.802   9.547
  148    H    VAL  22           HN       VAL  22   6.620   4.940   9.041
  149    HA   VAL  22           HA       VAL  22   9.469   4.396   9.786
  150    HB   VAL  22           HB       VAL  22   8.884   1.994   9.721
  151   1HG1  VAL  22           HG13     VAL  22   9.003   3.235  11.859
  152   2HG1  VAL  22           HG11     VAL  22   7.261   3.568  11.762
  153   3HG1  VAL  22           HG12     VAL  22   7.842   1.898  11.911
  154   1HG2  VAL  22           HG23     VAL  22   6.807   2.139   8.337
  155   2HG2  VAL  22           HG21     VAL  22   6.567   1.254   9.853
  156   3HG2  VAL  22           HG22     VAL  22   5.970   2.912   9.704
  157    H    ASP  23           HN       ASP  23   8.004   5.704   7.356
  158    HA   ASP  23           HA       ASP  23   8.420   5.906   5.163
  159   1HB   ASP  23           HB2      ASP  23  11.069   4.650   5.991
  160   2HB   ASP  23           HB3      ASP  23  10.788   5.637   4.555
  161    H    CYS  24           HN       CYS  24   7.499   2.966   5.996
  162    HA   CYS  24           HA       CYS  24   9.059   1.330   4.227
  163   1HB   CYS  24           HB2      CYS  24   7.851  -0.532   5.094
  164   2HB   CYS  24           HB3      CYS  24   8.269   0.572   6.407
  165    HG   CYS  24           HSG      CYS  24   5.730  -0.756   6.203
  166    H    ILE  25           HN       ILE  25   7.322   3.337   2.851
  167    HA   ILE  25           HA       ILE  25   5.691   1.544   1.117
  168    HB   ILE  25           HB       ILE  25   5.725   4.556   1.287
  169   1HG1  ILE  25           HG12     ILE  25   3.225   4.180   1.789
  170   2HG1  ILE  25           HG13     ILE  25   3.632   2.498   2.134
  171   1HG2  ILE  25           HG23     ILE  25   5.382   3.716  -1.043
  172   2HG2  ILE  25           HG21     ILE  25   4.031   2.722  -0.461
  173   3HG2  ILE  25           HG22     ILE  25   3.942   4.493  -0.395
  174   1HD1  ILE  25           HD2      ILE  25   4.930   4.862   3.527
  175   2HD1  ILE  25           HD3      ILE  25   3.446   4.067   4.089
  176   3HD1  ILE  25           HD1      ILE  25   4.958   3.158   4.051
  177    H    HIS  26           HN       HIS  26   6.711   0.937  -0.732
  178    HA   HIS  26           HA       HIS  26   9.140   2.364  -1.679
  179   1HB   HIS  26           HB2      HIS  26   8.518  -0.571  -1.344
  180   2HB   HIS  26           HB3      HIS  26  10.010   0.078  -2.003
  181    HD1  HIS  26           HND      HIS  26  10.895   2.107   0.185
  182    HD2  HIS  26           HD       HIS  26   8.873  -1.484   1.030
  183    HE1  HIS  26           HE       HIS  26  11.372   1.564   2.630
  184    H    GLU  27           HN       GLU  27   9.603   1.184  -3.979
  185    HA   GLU  27           HA       GLU  27   7.061   1.523  -5.453
  186   1HB   GLU  27           HB2      GLU  27   9.816   1.653  -6.689
  187   2HB   GLU  27           HB3      GLU  27   8.289   2.388  -7.209
  188   1HG   GLU  27           HG2      GLU  27   8.412   3.837  -5.108
  189   2HG   GLU  27           HG3      GLU  27  10.057   3.230  -4.865
  190    H    GLY  28           HN       GLY  28   6.424   0.069  -7.045
  191   1HA   GLY  28           HA2      GLY  28   8.195  -2.294  -7.604
  192   2HA   GLY  28           HA3      GLY  28   6.446  -2.454  -7.470
  193    H    GLU  29           HN       GLU  29   5.832  -2.946  -9.551
  194    HA   GLU  29           HA       GLU  29   7.429  -2.340 -11.741
  195   1HB   GLU  29           HB2      GLU  29   4.505  -3.270 -11.638
  196   2HB   GLU  29           HB3      GLU  29   5.629  -3.380 -12.986
  197   1HG   GLU  29           HG2      GLU  29   5.785  -5.499 -12.122
  198   2HG   GLU  29           HG3      GLU  29   7.152  -4.730 -11.313
  199    H    ASP  30           HN       ASP  30   4.047  -1.289 -11.335
  200    HA   ASP  30           HA       ASP  30   4.657   1.430 -12.359
  201   1HB   ASP  30           HB2      ASP  30   3.804  -0.140 -14.159
  202   2HB   ASP  30           HB3      ASP  30   2.329  -0.363 -13.213
  203    H    GLN  31           HN       GLN  31   4.329   0.321  -9.637
  204    HA   GLN  31           HA       GLN  31   1.921   1.558  -8.596
  205   1HB   GLN  31           HB2      GLN  31   1.194  -0.537  -9.486
  206   2HB   GLN  31           HB3      GLN  31   2.507  -1.437  -8.767
  207   1HG   GLN  31           HG2      GLN  31   1.679  -1.288  -6.606
  208   2HG   GLN  31           HG3      GLN  31   0.782   0.194  -6.968
  209   1HE2  GLN  31           HNE2     GLN  31  -0.853  -3.519  -7.965
  210   2HE2  GLN  31           HNE1     GLN  31   0.885  -3.279  -8.086
  211    H    TYR  32           HN       TYR  32   2.201   1.720  -6.277
  212    HA   TYR  32           HA       TYR  32   4.973   1.189  -5.350
  213   1HB   TYR  32           HB2      TYR  32   2.718   2.969  -4.306
  214   2HB   TYR  32           HB3      TYR  32   4.173   2.598  -3.383
  215    HD1  TYR  32           HD1      TYR  32   3.317   3.870  -6.868
  216    HD2  TYR  32           HD2      TYR  32   5.843   4.199  -3.380
  217    HE1  TYR  32           HE1      TYR  32   4.747   5.486  -8.049
  218    HE2  TYR  32           HE2      TYR  32   7.165   5.951  -4.520
  219    HH   TYR  32           HOH      TYR  32   7.787   6.421  -6.935
  220    H    TYR  33           HN       TYR  33   5.200   0.222  -3.231
  221    HA   TYR  33           HA       TYR  33   2.947  -1.559  -2.410
  222   1HB   TYR  33           HB2      TYR  33   5.840  -2.391  -2.788
  223   2HB   TYR  33           HB3      TYR  33   4.620  -3.371  -2.048
  224    HD1  TYR  33           HD2      TYR  33   5.303  -1.651  -5.328
  225    HD2  TYR  33           HD1      TYR  33   3.427  -4.947  -3.306
  226    HE1  TYR  33           HE2      TYR  33   4.241  -2.353  -7.448
  227    HE2  TYR  33           HE1      TYR  33   2.339  -5.624  -5.406
  228    HH   TYR  33           HOH      TYR  33   3.433  -4.256  -8.480
  229    H    ILE  34           HN       ILE  34   3.745  -2.601  -0.238
  230    HA   ILE  34           HA       ILE  34   5.153  -0.615   1.461
  231    HB   ILE  34           HB       ILE  34   2.530  -2.005   2.143
  232   1HG1  ILE  34           HG12     ILE  34   1.821   0.605   2.135
  233   2HG1  ILE  34           HG13     ILE  34   3.056   0.658   0.884
  234   1HG2  ILE  34           HG23     ILE  34   4.495  -0.553   3.762
  235   2HG2  ILE  34           HG21     ILE  34   2.916   0.183   3.912
  236   3HG2  ILE  34           HG22     ILE  34   3.119  -1.522   4.288
  237   1HD1  ILE  34           HD1      ILE  34   1.714  -1.381  -0.149
  238   2HD1  ILE  34           HD2      ILE  34   0.480  -0.921   1.022
  239   3HD1  ILE  34           HD3      ILE  34   0.998   0.226  -0.229
  240    H    ASP  35           HN       ASP  35   6.303  -1.679   3.238
  241    HA   ASP  35           HA       ASP  35   6.147  -4.601   3.226
  242   1HB   ASP  35           HB2      ASP  35   8.384  -3.713   3.503
  243   2HB   ASP  35           HB3      ASP  35   7.881  -2.929   5.003
  244    HA   PRO  36           HA       PRO  36   2.884  -3.735   6.227
  245   1HB   PRO  36           HB2      PRO  36   1.560  -6.138   6.161
  246   2HB   PRO  36           HB3      PRO  36   1.521  -4.959   4.817
  247   1HG   PRO  36           HG2      PRO  36   3.308  -7.386   5.149
  248   2HG   PRO  36           HG3      PRO  36   2.290  -6.948   3.734
  249   1HD   PRO  36           HD2      PRO  36   4.959  -6.357   3.875
  250   2HD   PRO  36           HD3      PRO  36   3.773  -5.266   3.096
  251    H    ASP  37           HN       ASP  37   5.690  -5.813   6.764
  252    HA   ASP  37           HA       ASP  37   4.777  -6.762   9.358
  253   1HB   ASP  37           HB2      ASP  37   7.118  -7.082   7.623
  254   2HB   ASP  37           HB3      ASP  37   7.055  -7.638   9.248
  255    H    VAL  38           HN       VAL  38   6.831  -4.421   7.638
  256    HA   VAL  38           HA       VAL  38   8.001  -3.257  10.037
  257    HB   VAL  38           HB       VAL  38   7.805  -2.367   7.140
  258   1HG1  VAL  38           HG11     VAL  38   9.058  -0.961   9.522
  259   2HG1  VAL  38           HG12     VAL  38   9.503  -0.614   7.842
  260   3HG1  VAL  38           HG13     VAL  38   7.828  -0.348   8.385
  261   1HG2  VAL  38           HG23     VAL  38   9.337  -4.286   7.640
  262   2HG2  VAL  38           HG21     VAL  38  10.218  -2.841   7.120
  263   3HG2  VAL  38           HG22     VAL  38  10.172  -3.280   8.841
  264    H    CYS  39           HN       CYS  39   5.286  -2.381   7.794
  265    HA   CYS  39           HA       CYS  39   4.520   0.034   9.004
  266   1HB   CYS  39           HB2      CYS  39   3.529  -0.859   6.964
  267   2HB   CYS  39           HB3      CYS  39   2.908  -2.209   7.882
  268    H    ILE  40           HN       ILE  40   3.953   0.478  11.073
  269    HA   ILE  40           HA       ILE  40   3.769  -1.645  13.008
  270    HB   ILE  40           HB       ILE  40   3.623   0.151  14.632
  271   1HG1  ILE  40           HG12     ILE  40   4.155   2.468  13.010
  272   2HG1  ILE  40           HG13     ILE  40   2.687   1.734  12.363
  273   1HG2  ILE  40           HG22     ILE  40   5.792  -0.598  13.785
  274   2HG2  ILE  40           HG23     ILE  40   5.745   0.640  12.514
  275   3HG2  ILE  40           HG21     ILE  40   5.813   1.118  14.222
  276   1HD1  ILE  40           HD3      ILE  40   3.132   2.437  15.284
  277   2HD1  ILE  40           HD1      ILE  40   2.167   3.364  14.113
  278   3HD1  ILE  40           HD2      ILE  40   1.658   1.722  14.572
  279    H    ASP  41           HN       ASP  41   1.492  -1.202  10.982
  280    HA   ASP  41           HA       ASP  41  -0.643  -1.498  10.782
  281   1HB   ASP  41           HB2      ASP  41   0.096  -3.452  12.425
  282   2HB   ASP  41           HB3      ASP  41  -1.039  -2.666  13.526
  283    H    CYS  42           HN       CYS  42  -0.640   0.748  10.714
  284    HA   CYS  42           HA       CYS  42  -2.162   2.107  12.860
  285   1HB   CYS  42           HB2      CYS  42  -0.684   3.653  13.186
  286   2HB   CYS  42           HB3      CYS  42   0.468   2.494  12.571
  287    H    GLY  43           HN       GLY  43  -2.302   4.559  11.323
  288   1HA   GLY  43           HA2      GLY  43  -3.677   3.759   8.804
  289   2HA   GLY  43           HA3      GLY  43  -4.546   4.719  10.019
  290    H    ALA  44           HN       ALA  44  -4.607   6.682   9.044
  291    HA   ALA  44           HA       ALA  44  -3.947   8.822   8.809
  292   1HB   ALA  44           HB1      ALA  44  -2.145   8.316  10.533
  293   2HB   ALA  44           HB2      ALA  44  -1.012   8.112   9.179
  294   3HB   ALA  44           HB3      ALA  44  -1.828   9.662   9.424
  295    H    CYS  45           HN       CYS  45  -1.464   6.734   7.306
  296    HA   CYS  45           HA       CYS  45  -1.010   8.144   4.924
  297   1HB   CYS  45           HB2      CYS  45  -0.277   5.950   4.058
  298   2HB   CYS  45           HB3      CYS  45   0.383   6.391   5.624
  299    H    GLU  46           HN       GLU  46  -3.533   5.849   5.737
  300    HA   GLU  46           HA       GLU  46  -5.399   5.526   3.891
  301   1HB   GLU  46           HB2      GLU  46  -5.803   7.172   6.429
  302   2HB   GLU  46           HB3      GLU  46  -7.088   6.375   5.522
  303   1HG   GLU  46           HG2      GLU  46  -6.221   4.184   6.086
  304   2HG   GLU  46           HG3      GLU  46  -4.790   4.877   6.864
  305    H    ALA  47           HN       ALA  47  -4.841   8.814   5.246
  306    HA   ALA  47           HA       ALA  47  -7.154   9.874   4.016
  307   1HB   ALA  47           HB1      ALA  47  -6.156  10.754   6.086
  308   2HB   ALA  47           HB2      ALA  47  -4.736  11.317   5.176
  309   3HB   ALA  47           HB3      ALA  47  -6.332  12.034   4.868
  310    H    VAL  48           HN       VAL  48  -3.788   9.784   2.835
  311    HA   VAL  48           HA       VAL  48  -4.252  12.146   1.193
  312    HB   VAL  48           HB       VAL  48  -1.991  11.917   0.439
  313   1HG1  VAL  48           HG11     VAL  48  -2.527  12.975   2.641
  314   2HG1  VAL  48           HG12     VAL  48  -2.168  11.431   3.446
  315   3HG1  VAL  48           HG13     VAL  48  -0.895  12.294   2.557
  316   1HG2  VAL  48           HG21     VAL  48  -1.833   9.389   0.357
  317   2HG2  VAL  48           HG22     VAL  48  -0.477  10.210   1.142
  318   3HG2  VAL  48           HG23     VAL  48  -1.692   9.412   2.128
  319    H    CYS  49           HN       CYS  49  -4.553   8.695   0.592
  320    HA   CYS  49           HA       CYS  49  -3.752   8.790  -2.071
  321   1HB   CYS  49           HB2      CYS  49  -3.852   6.794  -0.685
  322   2HB   CYS  49           HB3      CYS  49  -5.611   6.812  -0.813
  323    HA   PRO  50           HA       PRO  50  -7.313  11.003  -3.573
  324   1HB   PRO  50           HB2      PRO  50  -6.743  10.915  -6.322
  325   2HB   PRO  50           HB3      PRO  50  -6.133  12.107  -5.148
  326   1HG   PRO  50           HG2      PRO  50  -4.734   9.715  -6.290
  327   2HG   PRO  50           HG3      PRO  50  -4.049  11.285  -5.787
  328   1HD   PRO  50           HD2      PRO  50  -3.897   8.952  -4.307
  329   2HD   PRO  50           HD3      PRO  50  -3.829  10.586  -3.589
  330    H    VAL  51           HN       VAL  51  -6.382   7.903  -5.076
  331    HA   VAL  51           HA       VAL  51  -9.282   7.291  -5.556
  332    HB   VAL  51           HB       VAL  51  -6.936   6.091  -7.064
  333   1HG1  VAL  51           HG11     VAL  51  -9.236   4.893  -7.023
  334   2HG1  VAL  51           HG12     VAL  51  -9.878   6.313  -7.854
  335   3HG1  VAL  51           HG13     VAL  51  -8.611   5.330  -8.615
  336   1HG2  VAL  51           HG22     VAL  51  -8.666   8.470  -7.867
  337   2HG2  VAL  51           HG23     VAL  51  -6.905   8.475  -7.623
  338   3HG2  VAL  51           HG21     VAL  51  -7.602   7.565  -8.966
  339    H    SER  52           HN       SER  52  -8.410   7.044  -3.075
  340    HA   SER  52           HA       SER  52  -7.240   5.502  -1.599
  341   1HB   SER  52           HB2      SER  52 -10.195   4.946  -1.734
  342   2HB   SER  52           HB3      SER  52  -9.144   4.967  -0.304
  343    HG   SER  52           HOG      SER  52  -8.721   7.253  -0.922
  344    H    ALA  53           HN       ALA  53  -6.044   4.160  -3.169
  345    HA   ALA  53           HA       ALA  53  -6.884   1.390  -3.566
  346   1HB   ALA  53           HB3      ALA  53  -4.220   2.858  -3.845
  347   2HB   ALA  53           HB1      ALA  53  -4.496   1.169  -4.314
  348   3HB   ALA  53           HB2      ALA  53  -5.362   2.477  -5.143
  349    H    ILE  54           HN       ILE  54  -5.488   3.336  -1.080
  350    HA   ILE  54           HA       ILE  54  -3.947   1.436   0.338
  351    HB   ILE  54           HB       ILE  54  -5.401   4.000   1.156
  352   1HG1  ILE  54           HG12     ILE  54  -2.601   3.339   0.215
  353   2HG1  ILE  54           HG13     ILE  54  -3.768   4.431  -0.489
  354   1HG2  ILE  54           HG22     ILE  54  -3.600   2.210   2.794
  355   2HG2  ILE  54           HG23     ILE  54  -3.787   3.923   3.169
  356   3HG2  ILE  54           HG21     ILE  54  -5.186   2.867   3.200
  357   1HD1  ILE  54           HD1      ILE  54  -3.548   5.888   1.570
  358   2HD1  ILE  54           HD2      ILE  54  -2.151   4.878   2.040
  359   3HD1  ILE  54           HD3      ILE  54  -2.115   5.780   0.526
  360    H    TYR  55           HN       TYR  55  -4.775  -0.548   1.005
  361    HA   TYR  55           HA       TYR  55  -7.102  -0.374   2.792
  362   1HB   TYR  55           HB2      TYR  55  -6.648  -2.174   0.457
  363   2HB   TYR  55           HB3      TYR  55  -7.801  -2.614   1.725
  364    HD1  TYR  55           HD2      TYR  55  -9.575  -0.670   2.300
  365    HD2  TYR  55           HD1      TYR  55  -7.522  -1.087  -1.457
  366    HE1  TYR  55           HE2      TYR  55 -11.343   0.665   1.180
  367    HE2  TYR  55           HE1      TYR  55  -9.275   0.237  -2.572
  368    HH   TYR  55           HOH      TYR  55 -10.828   1.892  -2.078
  369    H    HIS  56           HN       HIS  56  -7.358  -1.993   4.311
  370    HA   HIS  56           HA       HIS  56  -4.752  -2.870   5.285
  371   1HB   HIS  56           HB2      HIS  56  -6.624  -1.979   6.724
  372   2HB   HIS  56           HB3      HIS  56  -7.591  -3.401   6.327
  373    HD1  HIS  56           HND      HIS  56  -7.087  -5.552   7.837
  374    HD2  HIS  56           HD       HIS  56  -4.251  -2.458   8.086
  375    HE1  HIS  56           HE       HIS  56  -5.302  -6.337   9.474
  376    H    GLU  57           HN       GLU  57  -4.069  -5.107   5.425
  377    HA   GLU  57           HA       GLU  57  -4.486  -6.744   3.266
  378   1HB   GLU  57           HB2      GLU  57  -3.918  -7.426   6.198
  379   2HB   GLU  57           HB3      GLU  57  -3.576  -8.516   4.852
  380   1HG   GLU  57           HG2      GLU  57  -1.865  -7.262   4.044
  381   2HG   GLU  57           HG3      GLU  57  -2.270  -5.822   4.989
  382    H    ASP  58           HN       ASP  58  -6.476  -6.641   6.124
  383    HA   ASP  58           HA       ASP  58  -7.888  -9.132   5.680
  384   1HB   ASP  58           HB2      ASP  58  -7.673  -8.119   7.921
  385   2HB   ASP  58           HB3      ASP  58  -8.588  -6.691   7.377
  386    H    PHE  59           HN       PHE  59  -8.548  -5.678   5.186
  387    HA   PHE  59           HA       PHE  59 -11.217  -5.768   4.193
  388   1HB   PHE  59           HB2      PHE  59  -8.883  -3.844   4.343
  389   2HB   PHE  59           HB3      PHE  59 -10.133  -3.538   3.195
  390    HD1  PHE  59           HD1      PHE  59 -10.894  -5.011   6.554
  391    HD2  PHE  59           HD2      PHE  59 -10.738  -1.436   4.125
  392    HE1  PHE  59           HE1      PHE  59 -12.065  -3.745   8.316
  393    HE2  PHE  59           HE2      PHE  59 -11.868  -0.169   5.914
  394    HZ   PHE  59           HZ       PHE  59 -12.541  -1.316   8.017
  395    H    VAL  60           HN       VAL  60  -7.951  -5.882   2.826
  396    HA   VAL  60           HA       VAL  60  -8.544  -5.280   0.168
  397    HB   VAL  60           HB       VAL  60  -6.345  -6.824   1.525
  398   1HG1  VAL  60           HG13     VAL  60  -7.067  -6.981  -1.469
  399   2HG1  VAL  60           HG11     VAL  60  -5.432  -7.197  -0.911
  400   3HG1  VAL  60           HG12     VAL  60  -6.693  -8.341  -0.397
  401   1HG2  VAL  60           HG22     VAL  60  -6.551  -4.711  -0.590
  402   2HG2  VAL  60           HG23     VAL  60  -6.279  -4.399   1.151
  403   3HG2  VAL  60           HG21     VAL  60  -5.031  -5.217   0.180
  404    HA   PRO  61           HA       PRO  61 -11.552  -8.405  -0.535
  405   1HB   PRO  61           HB2      PRO  61 -11.736  -8.309  -3.340
  406   2HB   PRO  61           HB3      PRO  61 -12.559  -7.222  -2.207
  407   1HG   PRO  61           HG2      PRO  61 -10.074  -6.753  -3.815
  408   2HG   PRO  61           HG3      PRO  61 -11.330  -5.576  -3.351
  409   1HD   PRO  61           HD2      PRO  61  -8.851  -5.790  -2.121
  410   2HD   PRO  61           HD3      PRO  61 -10.322  -5.170  -1.292
  411    H    GLU  62           HN       GLU  62 -11.610 -10.713  -1.107
  412    HA   GLU  62           HA       GLU  62  -9.493 -12.296  -1.268
  413   1HB   GLU  62           HB2      GLU  62 -12.355 -12.295  -2.054
  414   2HB   GLU  62           HB3      GLU  62 -11.347 -13.595  -2.596
  415   1HG   GLU  62           HG2      GLU  62 -12.410 -14.022  -0.323
  416   2HG   GLU  62           HG3      GLU  62 -10.649 -14.080  -0.264
  417    H    GLU  63           HN       GLU  63 -11.044 -10.844  -4.070
  418    HA   GLU  63           HA       GLU  63  -9.594 -11.822  -6.229
  419   1HB   GLU  63           HB2      GLU  63 -11.473 -10.290  -6.313
  420   2HB   GLU  63           HB3      GLU  63 -10.515  -8.989  -5.587
  421   1HG   GLU  63           HG2      GLU  63  -9.131  -8.842  -7.582
  422   2HG   GLU  63           HG3      GLU  63  -9.916 -10.275  -8.279
  423    H    TRP  64           HN       TRP  64  -8.613  -9.307  -3.918
  424    HA   TRP  64           HA       TRP  64  -5.844  -9.202  -5.007
  425   1HB   TRP  64           HB2      TRP  64  -7.570  -7.121  -3.632
  426   2HB   TRP  64           HB3      TRP  64  -5.862  -6.893  -3.968
  427    HD1  TRP  64           HD       TRP  64  -5.993  -8.234  -6.915
  428    HE1  TRP  64           HNE      TRP  64  -6.877  -6.798  -8.887
  429    HE3  TRP  64           HE       TRP  64  -8.623  -4.666  -4.334
  430    HZ2  TRP  64           HZ1      TRP  64  -8.844  -4.851  -9.299
  431    HZ3  TRP  64           HZ2      TRP  64  -9.671  -2.810  -5.635
  432    HH2  TRP  64           HH       TRP  64  -9.891  -2.957  -8.086
  433    H    LYS  65           HN       LYS  65  -7.341 -10.828  -2.588
  434    HA   LYS  65           HA       LYS  65  -5.626 -10.450  -0.358
  435   1HB   LYS  65           HB2      LYS  65  -6.977 -12.885  -1.430
  436   2HB   LYS  65           HB3      LYS  65  -5.874 -12.958  -0.060
  437   1HG   LYS  65           HG2      LYS  65  -8.258 -11.058  -0.167
  438   2HG   LYS  65           HG3      LYS  65  -8.244 -12.651   0.645
  439   1HD   LYS  65           HD2      LYS  65  -6.134 -11.592   1.853
  440   2HD   LYS  65           HD3      LYS  65  -6.870 -10.056   1.331
  441   1HE   LYS  65           HE2      LYS  65  -8.148 -12.146   3.100
  442   2HE   LYS  65           HE3      LYS  65  -7.445 -10.582   3.562
  443   1HZ   LYS  65           HNZ2     LYS  65  -9.183  -9.705   1.870
  444   2HZ   LYS  65           HNZ3     LYS  65  -9.962 -11.121   2.185
  445   3HZ   LYS  65           HNZ1     LYS  65  -9.649 -10.008   3.388
  446    H    SER  66           HN       SER  66  -5.026 -11.986  -3.518
  447    HA   SER  66           HA       SER  66  -2.571 -13.101  -3.396
  448   1HB   SER  66           HB2      SER  66  -3.137 -11.127  -5.595
  449   2HB   SER  66           HB3      SER  66  -2.684 -12.838  -5.693
  450    HG   SER  66           HOG      SER  66  -5.050 -12.031  -6.118
  451    H    TYR  67           HN       TYR  67  -3.262  -9.552  -3.445
  452    HA   TYR  67           HA       TYR  67  -0.530  -8.788  -3.922
  453   1HB   TYR  67           HB2      TYR  67  -3.080  -7.365  -3.083
  454   2HB   TYR  67           HB3      TYR  67  -1.573  -6.580  -2.752
  455    HD1  TYR  67           HD1      TYR  67   0.078  -6.247  -4.729
  456    HD2  TYR  67           HD2      TYR  67  -4.016  -7.436  -5.328
  457    HE1  TYR  67           HE1      TYR  67   0.193  -5.486  -7.090
  458    HE2  TYR  67           HE2      TYR  67  -3.936  -6.544  -7.646
  459    HH   TYR  67           HOH      TYR  67  -2.734  -5.163  -9.101
  460    H    ILE  68           HN       ILE  68  -2.237  -9.666  -0.886
  461    HA   ILE  68           HA       ILE  68  -0.513  -8.174   0.728
  462    HB   ILE  68           HB       ILE  68  -2.227 -10.699   1.114
  463   1HG1  ILE  68           HG12     ILE  68  -3.554  -9.211   2.552
  464   2HG1  ILE  68           HG13     ILE  68  -2.475  -7.856   2.141
  465   1HG2  ILE  68           HG22     ILE  68  -0.567  -9.310   3.218
  466   2HG2  ILE  68           HG23     ILE  68  -1.911 -10.426   3.563
  467   3HG2  ILE  68           HG21     ILE  68  -0.497 -11.018   2.698
  468   1HD1  ILE  68           HD1      ILE  68  -3.941  -9.292  -0.018
  469   2HD1  ILE  68           HD2      ILE  68  -4.738  -8.129   1.033
  470   3HD1  ILE  68           HD3      ILE  68  -3.372  -7.624   0.017
  471    H    GLN  69           HN       GLN  69  -0.475 -11.572  -0.419
  472    HA   GLN  69           HA       GLN  69   2.024 -12.324   0.691
  473   1HB   GLN  69           HB2      GLN  69   0.413 -13.244  -1.736
  474   2HB   GLN  69           HB3      GLN  69   1.980 -13.903  -1.322
  475   1HG   GLN  69           HG2      GLN  69   0.264 -15.352  -0.392
  476   2HG   GLN  69           HG3      GLN  69   1.189 -14.593   0.911
  477   1HE2  GLN  69           HNE2     GLN  69  -2.593 -13.042   0.100
  478   2HE2  GLN  69           HNE1     GLN  69  -1.641 -13.773  -1.163
  479    H    LYS  70           HN       LYS  70   1.148 -10.525  -2.304
  480    HA   LYS  70           HA       LYS  70   3.826 -10.592  -3.268
  481   1HB   LYS  70           HB2      LYS  70   1.574  -9.990  -4.510
  482   2HB   LYS  70           HB3      LYS  70   1.833  -8.369  -3.883
  483   1HG   LYS  70           HG2      LYS  70   3.985  -8.170  -5.013
  484   2HG   LYS  70           HG3      LYS  70   3.873  -9.849  -5.577
  485   1HD   LYS  70           HD2      LYS  70   1.821  -9.311  -6.850
  486   2HD   LYS  70           HD3      LYS  70   1.909  -7.622  -6.350
  487   1HE   LYS  70           HE2      LYS  70   4.122  -9.047  -7.906
  488   2HE   LYS  70           HE3      LYS  70   2.800  -8.161  -8.677
  489   1HZ   LYS  70           HNZ1     LYS  70   4.704  -6.904  -6.801
  490   2HZ   LYS  70           HNZ2     LYS  70   4.787  -6.853  -8.432
  491   3HZ   LYS  70           HNZ3     LYS  70   3.527  -6.157  -7.692
  492    H    ASN  71           HN       ASN  71   2.160  -7.745  -1.684
  493    HA   ASN  71           HA       ASN  71   4.471  -6.208  -1.394
  494   1HB   ASN  71           HB2      ASN  71   1.982  -6.655   0.329
  495   2HB   ASN  71           HB3      ASN  71   3.180  -5.467   0.794
  496   1HD2  ASN  71           HND2     ASN  71   0.929  -4.722  -2.571
  497   2HD2  ASN  71           HND1     ASN  71   0.942  -6.344  -1.893
  498    H    ARG  72           HN       ARG  72   3.371  -8.933   0.700
  499    HA   ARG  72           HA       ARG  72   5.537  -8.698   2.517
  500   1HB   ARG  72           HB2      ARG  72   3.648 -10.868   1.559
  501   2HB   ARG  72           HB3      ARG  72   5.011 -11.269   2.572
  502   1HG   ARG  72           HG2      ARG  72   4.292  -9.655   4.278
  503   2HG   ARG  72           HG3      ARG  72   3.106  -8.966   3.166
  504   1HD   ARG  72           HD2      ARG  72   1.720 -10.951   3.264
  505   2HD   ARG  72           HD3      ARG  72   2.811 -11.717   4.410
  506    HE   ARG  72           HNE      ARG  72   0.855  -9.546   4.965
  507   1HH1  ARG  72           HN22     ARG  72   3.901 -10.981   6.065
  508   2HH1  ARG  72           HN21     ARG  72   3.916 -10.075   7.543
  509   1HH2  ARG  72           HN12     ARG  72   0.828  -8.466   6.869
  510   2HH2  ARG  72           HN11     ARG  72   2.156  -8.599   8.034
  511    H    ASP  73           HN       ASP  73   5.209 -10.724  -0.448
  512    HA   ASP  73           HA       ASP  73   7.596 -12.012  -0.479
  513   1HB   ASP  73           HB2      ASP  73   5.653 -12.062  -2.244
  514   2HB   ASP  73           HB3      ASP  73   6.449 -10.729  -3.026
  515    H    PHE  74           HN       PHE  74   6.868  -8.903  -1.861
  516    HA   PHE  74           HA       PHE  74   9.159  -8.171  -3.213
  517   1HB   PHE  74           HB2      PHE  74   6.897  -6.768  -1.819
  518   2HB   PHE  74           HB3      PHE  74   8.322  -5.814  -2.091
  519    HD1  PHE  74           HD1      PHE  74   7.086  -8.484  -4.434
  520    HD2  PHE  74           HD2      PHE  74   7.613  -4.270  -3.676
  521    HE1  PHE  74           HE1      PHE  74   7.007  -8.017  -6.862
  522    HE2  PHE  74           HE2      PHE  74   7.457  -3.818  -6.059
  523    HZ   PHE  74           HZ       PHE  74   7.144  -5.672  -7.692
  524    H    PHE  75           HN       PHE  75   8.669  -8.007   0.306
  525    HA   PHE  75           HA       PHE  75  11.469  -6.964   0.592
  526   1HB   PHE  75           HB2      PHE  75   9.024  -6.539   2.306
  527   2HB   PHE  75           HB3      PHE  75  10.585  -5.770   2.531
  528    HD1  PHE  75           HD2      PHE  75  11.415  -4.535   0.156
  529    HD2  PHE  75           HD1      PHE  75   7.343  -5.243   1.374
  530    HE1  PHE  75           HE2      PHE  75  10.614  -2.978  -1.597
  531    HE2  PHE  75           HE1      PHE  75   6.544  -3.725  -0.396
  532    HZ   PHE  75           HZ       PHE  75   8.173  -2.622  -1.916
  533    H    LYS  76           HN       LYS  76  10.223  -9.828   0.608
  534    HA   LYS  76           HA       LYS  76  11.333 -10.651   3.259
  535   1HB   LYS  76           HB2      LYS  76   8.802 -11.096   2.032
  536   2HB   LYS  76           HB3      LYS  76   9.668 -12.586   1.884
  537   1HG   LYS  76           HG2      LYS  76   8.288 -12.480   3.931
  538   2HG   LYS  76           HG3      LYS  76   9.995 -12.603   4.361
  539   1HD   LYS  76           HD2      LYS  76   8.661 -11.021   5.781
  540   2HD   LYS  76           HD3      LYS  76  10.089 -10.295   5.045
  541   1HE   LYS  76           HE2      LYS  76   8.702  -9.188   3.349
  542   2HE   LYS  76           HE3      LYS  76   7.237  -9.960   3.977
  543   1HZ   LYS  76           HNZ1     LYS  76   8.950  -8.231   5.646
  544   2HZ   LYS  76           HNZ2     LYS  76   7.853  -7.570   4.708
  545   3HZ   LYS  76           HNZ3     LYS  76   7.364  -8.642   5.877
  546    H    LYS  77           HN       LYS  77  11.348 -11.188  -0.278
  547    HA   LYS  77           HA       LYS  77  13.214 -13.479   0.007
  548   1HB   LYS  77           HB2      LYS  77  10.894 -14.164   0.374
  549   2HB   LYS  77           HB3      LYS  77  10.346 -13.329  -1.043
  550   1HG   LYS  77           HG2      LYS  77  12.112 -15.780  -0.809
  551   2HG   LYS  77           HG3      LYS  77  10.414 -15.756  -1.279
  552   1HD   LYS  77           HD2      LYS  77  12.734 -14.684  -2.981
  553   2HD   LYS  77           HD3      LYS  77  12.005 -16.256  -3.128
  554   1HE   LYS  77           HE2      LYS  77  11.216 -14.711  -4.870
  555   2HE   LYS  77           HE3      LYS  77   9.893 -15.367  -3.887
  556   1HZ   LYS  77           HNZ3     LYS  77  11.029 -12.678  -3.379
  557   2HZ   LYS  77           HNZ1     LYS  77   9.643 -12.949  -4.278
  558   3HZ   LYS  77           HNZ2     LYS  77   9.666 -13.400  -2.785
    
  No H/Q in entry =         557